# systems

unique_id: 79c6fadc0cd181abb6efb3cd0c9bd3a0
username: fafb
key_value_pairs:
  {"name": "MoS2_Cu_ads2", "host": "MoS2", "dopant": "Cu", "site": "ads2", "depth": 1.9292669213146827, "conv1": -0.00157555, "conv2": -6.0678900000000006e-05, "en1": -351.93454013, "en2": -351.92146498, "defecttype": "adsorbate", "extension_factor": 0.9976441650297432, "supercell": 441, "dopant_chemical_potential": -3.7298232125, "eform": 2.3732760224999847, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: b903485d303c756d1b13618c3491a5f3
username: fafb
key_value_pairs:
  {"name": "Te2W_Li_int3", "host": "WTe2", "dopant": "Li", "site": "int3", "depth": -0.006949631465229627, "conv1": -0.00457962, "conv2": -8.74506e-05, "en1": -175.25972671, "en2": -175.28418792, "defecttype": "interstitial", "extension_factor": 1.1092772662026718, "supercell": 331, "dopant_chemical_potential": -1.90645214, "eform": 1.8754364000000128, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: a590de67dd1130413eee11095b82e894
username: fafb
key_value_pairs:
  {"name": "MoS2_Tb_int3", "host": "MoS2", "dopant": "Tb", "site": "int3", "depth": -2.0709114597299977e-05, "conv1": -0.286965, "conv2": -6.18521e-05, "en1": -332.88199531, "en2": -332.98545646, "defecttype": "interstitial", "extension_factor": 1.4596227185910842, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 1, "converged": false}


unique_id: 867d007e0c9af01e2e894ee2a2bee4ae
username: fafb
key_value_pairs:
  {"name": "MoS2_Zr_ads2", "host": "MoS2", "dopant": "Zr", "site": "ads2", "depth": 2.205768788953004, "conv1": -0.00287145, "conv2": 2.27176e-06, "en1": -355.00759533, "en2": -354.99075739999995, "defecttype": "adsorbate", "extension_factor": 0.9491351746656804, "supercell": 441, "dopant_chemical_potential": -8.521698665, "eform": 4.095859054999975, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 4, "converged": true}


unique_id: 53767cbb78faf046d5737578b6ee96c3
username: fafb
key_value_pairs:
  {"name": "Se2W_P_ads1", "host": "WSe2", "dopant": "P", "site": "ads1", "depth": 2.572549170734848, "conv1": -0.00459649, "conv2": -7.78165e-06, "en1": -348.71056405, "en2": -348.73578839, "defecttype": "adsorbate", "extension_factor": 1.3025004164577314, "supercell": 441, "dopant_chemical_potential": -5.37555892, "eform": 3.428210449999991, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 4e04dffac9ae2d74397cff1e48cfe9f0
username: fafb
key_value_pairs:
  {"name": "NbS2_Au_int4", "host": "NbS2", "dopant": "Au", "site": "int4", "depth": 8.449460037519511e-05, "conv1": -0.00165144, "conv2": -1.91628e-05, "en1": -191.4794331, "en2": -191.47172997, "defecttype": "interstitial", "extension_factor": 1.109244067944887, "supercell": 331, "dopant_chemical_potential": -3.2074311425, "eform": 7.058078862499984, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: a8f88ecffaad7d3d31c814bfb429a636
username: fafb
key_value_pairs:
  {"name": "Se2W_Cl_int2", "host": "WSe2", "dopant": "Cl", "site": "int2", "depth": -0.32196836661930356, "conv1": 0.000235715, "conv2": -0.006128, "en1": -341.9999519, "en2": -343.59352925, "defecttype": "interstitial", "extension_factor": 1.3063410656829468, "supercell": 441, "dopant_chemical_potential": -1.84984151, "eform": 5.044752179999956, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 1edcc1a7d3ff7cd628be0677bac7a0b3
username: fafb
key_value_pairs:
  {"name": "S2W_Be_int1", "host": "WS2", "dopant": "Be", "site": "int1", "depth": -0.10652751034330753, "conv1": -0.040207, "conv2": -0.000398059, "en1": -370.46663887, "en2": -370.55843684, "defecttype": "interstitial", "extension_factor": 1.9557974111349836, "supercell": 441, "dopant_chemical_potential": -3.758531975, "eform": 12.866285104999992, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 4, "converged": true}


unique_id: 492f9de657beaa975e71f6eafa58d3ed
username: fafb
key_value_pairs:
  {"name": "S2Sn_Ir_int2", "host": "SnS2", "dopant": "Ir", "site": "int2", "depth": 0.00546107408289277, "conv1": -0.0431759, "conv2": -0.252688, "en1": -52.61067245, "en2": -84.90787242, "defecttype": "interstitial", "extension_factor": 2.556889515863473, "supercell": 331, "dopant_chemical_potential": -8.8569808225, "eform": 31.534871882499992, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: c98e729702a807558baa2d665f211bb5
username: fafb
key_value_pairs:
  {"name": "S2W_Lu_ads0", "host": "WS2", "dopant": "Lu", "site": "ads0", "depth": 2.653177812347533, "conv1": -0.00497875, "conv2": -0.0002144259999999, "en1": -380.98088234, "en2": -380.98801903, "defecttype": "adsorbate", "extension_factor": 0.9541813868946536, "supercell": 441, "dopant_chemical_potential": -4.452474715, "eform": 3.1306456550000297, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 22abcd82ab7f02d47b362422845221d4
username: fafb
key_value_pairs:
  {"name": "NbSe2_Sr_ads2", "host": "NbSe2", "dopant": "Sr", "site": "ads2", "depth": 2.136800759598745, "conv1": -0.00220809, "conv2": -2.49507e-05, "en1": -183.18717802, "en2": -183.19034966, "defecttype": "adsorbate", "extension_factor": 0.9016611956456436, "supercell": 331, "dopant_chemical_potential": -1.6408387475, "eform": -2.6933136725000093, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 4c3f9ddeea267b6611dfe3fc79d53a10
username: fafb
key_value_pairs:
  {"name": "S2Sn_I_int4", "host": "SnS2", "dopant": "I", "site": "int4", "depth": 0.00021696683439938384, "conv1": -0.00486023, "conv2": -0.0026686, "en1": -101.31839761, "en2": -101.33254938, "defecttype": "interstitial", "extension_factor": 1.0726612609584258, "supercell": 331, "dopant_chemical_potential": -1.522929255, "eform": 7.776143354999994, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 179af91451b4eea095aae775d6793eeb
username: fafb
key_value_pairs:
  {"name": "NbS2_Rb_ads2", "host": "NbS2", "dopant": "Rb", "site": "ads2", "depth": 2.716386232874418, "conv1": -0.00418293, "conv2": -4.17166e-05, "en1": -198.99477989, "en2": -199.00311031, "defecttype": "adsorbate", "extension_factor": 0.994409943352662, "supercell": 331, "dopant_chemical_potential": -0.933634225, "eform": -2.7470983950000147, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: e762a8b05d3a8bae5acf9b8952fc9cb4
username: fafb
key_value_pairs:
  {"name": "Se2W_Rh_ads2", "host": "WSe2", "dopant": "Rh", "site": "ads2", "depth": 1.978276226020858, "conv1": -0.00340174, "conv2": -8.09274e-05, "en1": -350.11835721, "en2": -350.11188461, "defecttype": "adsorbate", "extension_factor": 0.9829583273585778, "supercell": 441, "dopant_chemical_potential": -7.24930329, "eform": 3.9258585999999696, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: e72418dcaef24687536fdb8c42d5b4b7
username: fafb
key_value_pairs:
  {"name": "MoTe2_Ba_ads1", "host": "MoTe2", "dopant": "Ba", "site": "ads1", "depth": 2.3406816844600242, "conv1": -0.00218206, "conv2": -8.57948e-05, "en1": -164.51209419, "en2": -164.49444783, "defecttype": "adsorbate", "extension_factor": 0.9330640976371064, "supercell": 331, "dopant_chemical_potential": -1.90654936, "eform": 0.7155909899999959, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: b4df7e6bf9b17894707869ca2b2836a6
username: fafb
key_value_pairs:
  {"name": "Se2W_Mn_int4", "host": "WSe2", "dopant": "Mn", "site": "int4", "depth": -8.616930065376266e-08, "conv1": -0.00215572, "conv2": -6.06951e-05, "en1": -352.06432818, "en2": -352.06286409, "defecttype": "interstitial", "extension_factor": 1.0686698981233966, "supercell": 441, "dopant_chemical_potential": -8.9133661725, "eform": 3.638942002499968, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 45c870e1141420f7a65b838a3c245473
username: fafb
key_value_pairs:
  {"name": "Te2W_N_int0", "host": "WTe2", "dopant": "N", "site": "int0", "depth": 1.1606461629686136e-05, "conv1": -0.00225582, "conv2": -9.68471e-05, "en1": -182.20330761, "en2": -182.21023762, "defecttype": "interstitial", "extension_factor": 1.022882885447162, "supercell": 331, "dopant_chemical_potential": -8.34141351, "eform": 1.3843480700000208, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: b5ea65d7bf49087a3b05090e1184b9a4
username: fafb
key_value_pairs:
  {"name": "NbS2_Tc_int4", "host": "NbS2", "dopant": "Tc", "site": "int4", "depth": 1.2091787307637953e-05, "conv1": -0.0035645, "conv2": -9.35049e-05, "en1": -202.19432593, "en2": -202.18566761, "defecttype": "interstitial", "extension_factor": 1.0865784231509, "supercell": 331, "dopant_chemical_potential": -10.341723195, "eform": 3.4784332750000004, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 1d5f39aaee47f6cad58fc7c3902088d1
username: fafb
key_value_pairs:
  {"name": "NbS2_Bi_ads0", "host": "NbS2", "dopant": "Bi", "site": "ads0", "depth": 2.613438982353869, "conv1": 3.09866, "conv2": 1.12931, "en1": -201.96912262, "en2": -202.37796316, "defecttype": "adsorbate", "extension_factor": 0.9953684761968286, "supercell": 331, "dopant_chemical_potential": -3.8828783716666666, "eform": -3.1727070983333445, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": -6, "converged": false}


unique_id: b2916fe5c6a97e8cd4383e35cabaf1c7
username: fafb
key_value_pairs:
  {"name": "NbS2_C_int2", "host": "NbS2", "dopant": "C", "site": "int2", "depth": 0.027550972850772328, "conv1": -0.00486717, "conv2": -0.0003809319999999, "en1": -202.53819111, "en2": -202.54008068, "defecttype": "interstitial", "extension_factor": 1.0357012471646114, "supercell": 331, "dopant_chemical_potential": -9.2282470075, "eform": 2.010544017500008, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: b219741bf837f4c127cb755c40a37493
username: fafb
key_value_pairs:
  {"name": "S2W_Mg_ads2", "host": "WS2", "dopant": "Mg", "site": "ads2", "depth": 2.5340155655858627, "conv1": -0.00335398, "conv2": -7.56275e-05, "en1": -379.78124457, "en2": -379.78127394, "defecttype": "adsorbate", "extension_factor": 1.155674275400479, "supercell": 441, "dopant_chemical_potential": -1.502700195, "eform": 1.3876162249999997, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 881def3e0cc2d4702472fd90fa49eee6
username: fafb
key_value_pairs:
  {"name": "MoSe2_H_int1", "host": "MoSe2", "dopant": "H", "site": "int1", "depth": -0.8610838153353119, "conv1": -0.00638467, "conv2": -7.29021e-05, "en1": -322.06245087, "en2": -322.07411284, "defecttype": "interstitial", "extension_factor": 1.10160879010153, "supercell": 441, "dopant_chemical_potential": -3.3953663975, "eform": 2.0576672274999925, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 3709c2348231825ddff3fddec0bea66f
username: fafb
key_value_pairs:
  {"name": "MoS2_Pb_int4", "host": "MoS2", "dopant": "Pb", "site": "int4", "depth": 0.008746765021843529, "conv1": -3.34987, "conv2": -6.90878, "en1": -271.24341895, "en2": -290.81774887, "defecttype": "interstitial", "extension_factor": 1.4428649520977033, "supercell": 441, "dopant_chemical_potential": -3.554778985, "eform": 63.301947904999984, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 2, "converged": false}


unique_id: 85138840f214799a7dc014c1f84d9c33
username: fafb
key_value_pairs:
  {"name": "S2Sn_Al_int2", "host": "SnS2", "dopant": "Al", "site": "int2", "depth": -9.385541375606719e-06, "conv1": -0.00273703, "conv2": -8.94283e-05, "en1": -107.91365294, "en2": -107.95905964, "defecttype": "interstitial", "extension_factor": 1.3832311169322329, "supercell": 331, "dopant_chemical_potential": -3.7374191225, "eform": 3.3641229624999904, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 87ea54c7613c7a5c570121322868c336
username: fafb
key_value_pairs:
  {"name": "Te2W_S_ads0", "host": "WTe2", "dopant": "S", "site": "ads0", "depth": 2.082800176000453, "conv1": -0.00172619, "conv2": 4.72432e-07, "en1": -178.28467035, "en2": -178.44843787, "defecttype": "adsorbate", "extension_factor": 0.9326666595650458, "supercell": 331, "dopant_chemical_potential": -3.50545684, "eform": 0.3101911500000147, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 8d3bf7d0f6919e7fabaff222e88756d7
username: fafb
key_value_pairs:
  {"name": "MoTe2_Ca_int4", "host": "MoTe2", "dopant": "Ca", "site": "int4", "depth": 5.474174036033351e-07, "conv1": -0.00177097, "conv2": -8.09591e-05, "en1": -159.65397889, "en2": -159.65497849, "defecttype": "interstitial", "extension_factor": 1.0890166375134005, "supercell": 331, "dopant_chemical_potential": -1.9296010675, "eform": 5.578112037500019, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 3468842d5cf74c90147e37224ac2b00e
username: fafb
key_value_pairs:
  {"name": "S2W_Ni_ads1", "host": "WS2", "dopant": "Ni", "site": "ads1", "depth": 1.762962638820793, "conv1": 0.0194349, "conv2": 0.00421278, "en1": -382.56710459, "en2": -382.53383577, "defecttype": "adsorbate", "extension_factor": 0.9115622128849764, "supercell": 441, "dopant_chemical_potential": -5.469610195, "eform": 2.6019643950000084, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 3508e1a9298c1d2026a180768203462c
username: fafb
key_value_pairs:
  {"name": "NbSe2_F_int1", "host": "NbSe2", "dopant": "F", "site": "int1", "depth": -0.1345960875652482, "conv1": -0.0509958, "conv2": -0.00202069, "en1": -176.86339740000005, "en2": -176.98290197, "defecttype": "interstitial", "extension_factor": 1.8517792468940035, "supercell": 331, "dopant_chemical_potential": -1.8299670325, "eform": 3.7032623025, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 2, "converged": false}


unique_id: deaecbcb9a1ff66dd88fbb5ebad98db6
username: fafb
key_value_pairs:
  {"name": "Te2W_Gd_ads0", "host": "WTe2", "dopant": "Gd", "site": "ads0", "depth": 2.6873375355256552, "conv1": -0.00490286, "conv2": -0.000463644, "en1": -176.17657457, "en2": -176.20347431, "defecttype": "adsorbate", "extension_factor": 0.9534639974907894, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: cfe8acd6fb8955a5ca41dcd41a0b9996
username: fafb
key_value_pairs:
  {"name": "Te2W_Ta_ads1", "host": "WTe2", "dopant": "Ta", "site": "ads1", "depth": 1.9859725651660045, "conv1": -0.0392699, "conv2": -0.00200806, "en1": -180.37658907, "en2": -180.46824814, "defecttype": "adsorbate", "extension_factor": 0.9310609119011874, "supercell": 331, "dopant_chemical_potential": -11.81970551, "eform": 6.604629550000023, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": 5, "converged": true}


unique_id: 9d326af8f928e1c003b2548a27ebf084
username: fafb
key_value_pairs:
  {"name": "NbSe2_Xe_ads2", "host": "NbSe2", "dopant": "Xe", "site": "ads2", "depth": 3.042931889735382, "conv1": 0.00055688, "conv2": 0.00138479, "en1": -178.84260438, "en2": -178.87616734, "defecttype": "adsorbate", "extension_factor": 1.3545076812642054, "supercell": 331, "dopant_chemical_potential": -0.04017684, "eform": 0.0202067400000052, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 94b326da569a38c9e2847d29eb0406ed
username: fafb
key_value_pairs:
  {"name": "S2W_Ho_int4", "host": "WS2", "dopant": "Ho", "site": "int4", "depth": 0.008529391485832427, "conv1": -0.00435894, "conv2": 0.000596859, "en1": -372.34361755, "en2": -372.3662734, "defecttype": "interstitial", "extension_factor": 1.1071062967750878, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 85d99adaa642cd6cd6c12d5daa0276f3
username: fafb
key_value_pairs:
  {"name": "NbS2_Se_int4", "host": "NbS2", "dopant": "Se", "site": "int4", "depth": -2.3077171571729242e-05, "conv1": -0.00175339, "conv2": -8.505809999999999e-05, "en1": -193.78181373, "en2": -193.7731861, "defecttype": "interstitial", "extension_factor": 1.0958608733736328, "supercell": 331, "dopant_chemical_potential": -3.5038482133333333, "eform": 5.053039803333325, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: fa31312c0fb1ed5454a19d7138fbfb03
username: fafb
key_value_pairs:
  {"name": "MoSe2_O_int2", "host": "MoSe2", "dopant": "O", "site": "int2", "depth": 0.00015810738941958574, "conv1": -0.0040955, "conv2": -3.73058e-05, "en1": -320.95570412, "en2": -320.95341137, "defecttype": "interstitial", "extension_factor": 1.3671223443270226, "supercell": 441, "dopant_chemical_potential": -4.953416425, "eform": 4.7364187249999645, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 906cdbee0453469d87dd8ba43c0d0d8d
username: fafb
key_value_pairs:
  {"name": "S2Sn_Hg_int3", "host": "SnS2", "dopant": "Hg", "site": "int3", "depth": -0.6787702053451327, "conv1": -0.0606343, "conv2": -0.024332, "en1": -104.4334444, "en2": -104.18626595, "defecttype": "interstitial", "extension_factor": 1.3554496162712324, "supercell": 331, "dopant_chemical_potential": -0.183595435, "eform": 3.5830929649999907, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 0, "converged": false}


unique_id: f9b56ff65815720f619323d7bf8fb1c5
username: fafb
key_value_pairs:
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unique_id: 8ddf472e1533faf27bd02eded88901d1
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unique_id: 20acda310fc16e2f9ba9b08ec7952f7a
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unique_id: 1bedbff5a268db481e7f7b158235f02b
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unique_id: 6e777a9ced1f2394e7cc827a1187488a
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unique_id: fecc98b79fb2f4dc84550eb9b6b1991f
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unique_id: c6ff8bfcdd9908cbd62615b1540f2fce
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unique_id: 156e80121fb862421684d83649e63b85
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unique_id: bf62f2dc6b2686ee545cdad6adb9b27d
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unique_id: c84eee17ddf3e6b530c748f3cba0b97a
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unique_id: 6b0e0637d8e918f6c5525a60cd07d2f9
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unique_id: c9fd6ec6c1557c4f29882c0d91f25686
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unique_id: 9514a8e00f4fd1de06d9bd7633eefcd6
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unique_id: b0265711a609aba065a9caf1aa3fb39d
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unique_id: 3ccf0b575caf96c67768903e57b5fd50
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unique_id: 90abd42b810b99742f9a5e255d1420d5
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key_value_pairs:
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