# systems

unique_id: bed41f2bc2eec9550da5c66c6eb72e5e
username: fafb
key_value_pairs:
  {"name": "MoS2_B_ads1", "host": "MoS2", "dopant": "B", "site": "ads1", "depth": 1.6345643893063844, "conv1": 0.0265965, "conv2": 0.0116093999999999, "en1": -352.6566759, "en2": -352.5881849, "defecttype": "adsorbate", "extension_factor": 1.0175213613872482, "supercell": 441, "dopant_chemical_potential": -6.7059564875, "eform": 4.682689377499994, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 54c0e371ce3911fcdd3aafd6ab70806c
username: fafb
key_value_pairs:
  {"name": "S2Sn_Mg_int2", "host": "SnS2", "dopant": "Mg", "site": "int2", "depth": 1.1127736724670377e-05, "conv1": 0.00108977, "conv2": -0.00229844, "en1": -104.27274871, "en2": -103.92486081, "defecttype": "interstitial", "extension_factor": 1.4257475742314047, "supercell": 331, "dopant_chemical_potential": -1.502700195, "eform": 5.163602864999999, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 8f0592f226fe3b59c6c7aadd1d0fac3c
username: fafb
key_value_pairs:
  {"name": "S2Sn_Pr_ads2", "host": "SnS2", "dopant": "Pr", "site": "ads2", "depth": 1.7718484391425777, "conv1": -0.0745956, "conv2": 0.0967744, "en1": -115.02010503, "en2": -114.97570005, "defecttype": "adsorbate", "extension_factor": 0.9417489417457816, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 1, "converged": false}


unique_id: 5800ec44182b1832cf54e29247909824
username: fafb
key_value_pairs:
  {"name": "S2W_Al_ads2", "host": "WS2", "dopant": "Al", "site": "ads2", "depth": 2.225729316130464, "conv1": -0.00380262, "conv2": -0.00815738, "en1": -380.79928424, "en2": -380.83018468, "defecttype": "adsorbate", "extension_factor": 1.1511856548657156, "supercell": 441, "dopant_chemical_potential": -3.7374191225, "eform": 2.5734244125000028, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 8008174bf9961ab1906c0b20e7fb619a
username: fafb
key_value_pairs:
  {"name": "Te2W_Rh_ads0", "host": "WTe2", "dopant": "Rh", "site": "ads0", "depth": 2.3476080003754647, "conv1": -0.00180458, "conv2": 0.000697955, "en1": -178.34729919, "en2": -178.36109152, "defecttype": "adsorbate", "extension_factor": 0.9425683585724496, "supercell": 331, "dopant_chemical_potential": -7.24930329, "eform": 4.141383950000005, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 336fa4f13793f81bdcfda5752fa0be68
username: fafb
key_value_pairs:
  {"name": "MoS2_Co_ads2", "host": "MoS2", "dopant": "Co", "site": "ads2", "depth": 1.893207485012347, "conv1": -0.0047376, "conv2": -4.55446e-05, "en1": -353.99902077, "en2": -353.99048311, "defecttype": "adsorbate", "extension_factor": 1.00678688896992, "supercell": 441, "dopant_chemical_potential": -7.035318725, "eform": 3.6097534049999673, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 56ea9db6b61313cf1fe32b88293651e6
username: fafb
key_value_pairs:
  {"name": "NbSe2_Mn_ads1", "host": "NbSe2", "dopant": "Mn", "site": "ads1", "depth": 1.773711243533901, "conv1": -5.85129e-06, "conv2": -0.00189895, "en1": -186.93783158, "en2": -186.95915899, "defecttype": "adsorbate", "extension_factor": 0.8820306537046924, "supercell": 331, "dopant_chemical_potential": -8.9133661725, "eform": 0.8104044225000084, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 6, "converged": true}


unique_id: d79d2a3d3575d6dffa626c633a33d26f
username: fafb
key_value_pairs:
  {"name": "Se2W_Yb_ads1", "host": "WSe2", "dopant": "Yb", "site": "ads1", "depth": 2.4158621295234552, "conv1": -0.00494606, "conv2": -6.01577e-05, "en1": -347.23657378, "en2": -347.24826847, "defecttype": "adsorbate", "extension_factor": 1.001338136821553, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 1d65696f11bb40ebd66ac758780cf1fa
username: fafb
key_value_pairs:
  {"name": "MoTe2_Sb_ads1", "host": "MoTe2", "dopant": "Sb", "site": "ads1", "depth": 2.6441264538425866, "conv1": -0.00135452, "conv2": -0.00064858, "en1": -164.85337127, "en2": -164.86109881, "defecttype": "adsorbate", "extension_factor": 1.1930647218327854, "supercell": 331, "dopant_chemical_potential": -4.14761935, "eform": 2.5900100000000217, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: e06c52a95e5fa3fcd13ca3610d55b721
username: fafb
key_value_pairs:
  {"name": "S2Sn_Ge_int3", "host": "SnS2", "dopant": "Ge", "site": "int3", "depth": -0.5488480916227944, "conv1": 0.184506, "conv2": -0.239283, "en1": -110.01801528, "en2": -110.73201234, "defecttype": "interstitial", "extension_factor": 1.2237426934916091, "supercell": 331, "dopant_chemical_potential": -4.507869405, "eform": 1.361620545, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 0, "converged": false}


unique_id: 49c14fc157ebfce5822774b47dac5f80
username: fafb
key_value_pairs:
  {"name": "NbSe2_Ti_ads1", "host": "NbSe2", "dopant": "Ti", "site": "ads1", "depth": 1.695067595995219, "conv1": -0.0128722, "conv2": 0.1112269999999999, "en1": -186.21893104, "en2": -186.34063761, "defecttype": "adsorbate", "extension_factor": 0.8424923174015014, "supercell": 331, "dopant_chemical_potential": -7.834724325, "eform": 0.3502839550000125, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 7cab5b4ecd59259699eabed0b95a7b86
username: fafb
key_value_pairs:
  {"name": "Se2W_W_int1", "host": "WSe2", "dopant": "W", "site": "int1", "depth": 0.7261153607691391, "conv1": 0.01733, "conv2": 0.263244, "en1": -344.18071686, "en2": -343.98805934, "defecttype": "interstitial", "extension_factor": 2.719752615705559, "supercell": 441, "dopant_chemical_potential": -12.932701305, "eform": 15.733081884999969, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": -4, "converged": true}


unique_id: 955c1ec5438d4dd399b1fc6c249b5d4b
username: fafb
key_value_pairs:
  {"name": "NbS2_Ca_ads2", "host": "NbS2", "dopant": "Ca", "site": "ads2", "depth": 2.037094100116507, "conv1": -0.00218562, "conv2": -6.49162e-05, "en1": -200.55800263, "en2": -200.54137179, "defecttype": "adsorbate", "extension_factor": 0.9131203227661792, "supercell": 331, "dopant_chemical_potential": -1.9296010675, "eform": -3.289393032500003, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: f790d0601529d51b7656366ae7739ffb
username: fafb
key_value_pairs:
  {"name": "Se2W_P_int2", "host": "WSe2", "dopant": "P", "site": "int2", "depth": -0.23488497290434782, "conv1": 0.0666926, "conv2": -0.000210893, "en1": -346.5983461, "en2": -347.5707436, "defecttype": "interstitial", "extension_factor": 1.2223816973986878, "supercell": 441, "dopant_chemical_potential": -5.37555892, "eform": 4.593255239999959, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 1, "converged": false}


unique_id: 6f0b6b9b4de4a07f2e11dfc68dbb3979
username: fafb
key_value_pairs:
  {"name": "S2W_Lu_int3", "host": "WS2", "dopant": "Lu", "site": "int3", "depth": 0.008982535864640012, "conv1": -0.0354436999999999, "conv2": -4.89594e-05, "en1": -373.04799064, "en2": -373.33145526, "defecttype": "interstitial", "extension_factor": 1.134970266018694, "supercell": 441, "dopant_chemical_potential": -4.452474715, "eform": 10.787209425000023, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 40e14b62fbec3a4f34bccc7e1e8c8df2
username: fafb
key_value_pairs:
  {"name": "S2Sn_Ir_ads1", "host": "SnS2", "dopant": "Ir", "site": "ads1", "depth": 1.835913320332881, "conv1": 0.100062, "conv2": -0.0347238, "en1": -114.82483652, "en2": -115.11583843, "defecttype": "adsorbate", "extension_factor": 0.9965365363256208, "supercell": 331, "dopant_chemical_potential": -8.8569808225, "eform": 1.3269058725000011, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 0, "converged": false}


unique_id: 146fc08f77396a84c9a82f685e6b4a9f
username: fafb
key_value_pairs:
  {"name": "MoTe2_Se_ads2", "host": "MoTe2", "dopant": "Se", "site": "ads2", "depth": 2.239441951593697, "conv1": -0.00416446, "conv2": -0.000306752, "en1": -164.88475845, "en2": -164.90264115, "defecttype": "adsorbate", "extension_factor": 1.1442534346300448, "supercell": 331, "dopant_chemical_potential": -3.5038482133333333, "eform": 1.904696523333348, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 29dd7431cf8ee541d053146bb3db6e8d
username: fafb
key_value_pairs:
  {"name": "S2W_Be_ads2", "host": "WS2", "dopant": "Be", "site": "ads2", "depth": 1.5299838246529969, "conv1": -0.000855503, "conv2": -7.21929e-05, "en1": -380.12509993, "en2": -380.132808, "defecttype": "adsorbate", "extension_factor": 1.0214684863212489, "supercell": 441, "dopant_chemical_potential": -3.758531975, "eform": 3.291913944999993, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: ea612c48822d703413d334995ddf87c0
username: fafb
key_value_pairs:
  {"name": "Se2W_Cl_ads1", "host": "WSe2", "dopant": "Cl", "site": "ads1", "depth": 2.4902740893495023, "conv1": -0.00411163, "conv2": -0.000744315, "en1": -347.9040523, "en2": -347.92244781, "defecttype": "adsorbate", "extension_factor": 1.3037917037288806, "supercell": 441, "dopant_chemical_potential": -1.84984151, "eform": 0.7158336199999793, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": -1, "converged": true}


unique_id: 424c7079ac5542b5f8805467c332518a
username: fafb
key_value_pairs:
  {"name": "Te2W_Hf_ads0", "host": "WTe2", "dopant": "Hf", "site": "ads0", "depth": 2.5768092868973405, "conv1": -0.00220714, "conv2": -0.0007011869999999, "en1": -179.40748827, "en2": -179.43368439, "defecttype": "adsorbate", "extension_factor": 0.9498153640496716, "supercell": 331, "dopant_chemical_potential": -9.92359994, "eform": 5.743087730000013, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": -2, "converged": true}


unique_id: 809e253cbf37c060260e246e7949dc1b
username: fafb
key_value_pairs:
  {"name": "MoS2_Pm_ads0", "host": "MoS2", "dopant": "Pm", "site": "ads0", "depth": 2.611240637046207, "conv1": -0.00337041, "conv2": -2.18729e-05, "en1": -352.3215224, "en2": -352.31138238, "defecttype": "adsorbate", "extension_factor": 0.9222967122552416, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 74a17a60c911a53f87b0ee6394c73d21
username: fafb
key_value_pairs:
  {"name": "NbS2_Tl_ads0", "host": "NbS2", "dopant": "Tl", "site": "ads0", "depth": 2.6879330638185164, "conv1": -0.0042829999999999, "conv2": -8.908100000000001e-05, "en1": -198.36552059, "en2": -198.36413609, "defecttype": "adsorbate", "extension_factor": 1.027607797445426, "supercell": 331, "dopant_chemical_potential": -2.229339995, "eform": -0.8124184049999918, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 764d1fbb9872144a08522cc0aa62d641
username: fafb
key_value_pairs:
  {"name": "MoSe2_Al_int0", "host": "MoSe2", "dopant": "Al", "site": "int0", "depth": 0.0058267821133505355, "conv1": -0.114648, "conv2": -6.29706e-05, "en1": -320.31609245, "en2": -320.39277208, "defecttype": "interstitial", "extension_factor": 1.1001703261558469, "supercell": 441, "dopant_chemical_potential": -3.7374191225, "eform": 4.081060712500005, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 1, "converged": false}


unique_id: 7a381f04a012ed501940f158fee77688
username: fafb
key_value_pairs:
  {"name": "MoS2_Tb_ads0", "host": "MoS2", "dopant": "Tb", "site": "ads0", "depth": 2.564993610804288, "conv1": -0.00304704, "conv2": -3.63335e-05, "en1": -351.99294466, "en2": -351.97941682, "defecttype": "adsorbate", "extension_factor": 0.9263261975793364, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: f6c7bfdd5690d4cfbd4599f9f34bc423
username: fafb
key_value_pairs:
  {"name": "MoTe2_Ga_ads0", "host": "MoTe2", "dopant": "Ga", "site": "ads0", "depth": 2.5206518874843136, "conv1": -0.00236165, "conv2": -8.912549999999999e-05, "en1": -164.32142428, "en2": -164.33334573, "defecttype": "adsorbate", "extension_factor": 1.0246738739788832, "supercell": 331, "dopant_chemical_potential": -2.92144759375, "eform": 1.891591323750018, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 29287d8b3cd9d6952b135fdf1b071137
username: fafb
key_value_pairs:
  {"name": "NbS2_C_ads1", "host": "NbS2", "dopant": "C", "site": "ads1", "depth": 1.0735878489538824, "conv1": -0.0162384, "conv2": -0.00399608, "en1": -201.30014141, "en2": -201.55057578, "defecttype": "adsorbate", "extension_factor": 0.9140593785749292, "supercell": 331, "dopant_chemical_potential": -9.2282470075, "eform": 3.0000489174999934, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: c68cc5399266d7b828e723a80664b582
username: fafb
key_value_pairs:
  {"name": "MoSe2_H_ads2", "host": "MoSe2", "dopant": "H", "site": "ads2", "depth": 0.8329993927115413, "conv1": 0.0032051, "conv2": -0.000156794, "en1": -321.35691985, "en2": -321.35362464, "defecttype": "interstitial", "extension_factor": 1.0193016657541, "supercell": 441, "dopant_chemical_potential": -3.3953663975, "eform": 2.7781554274999696, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 2960d2d1a62c47db3b9c7d3cdd28b36e
username: fafb
key_value_pairs:
  {"name": "S2Sn_Al_ads1", "host": "SnS2", "dopant": "Al", "site": "ads1", "depth": 1.943894633355742, "conv1": -0.0116026, "conv2": -0.011413, "en1": -110.72724528, "en2": -110.66519147, "defecttype": "adsorbate", "extension_factor": 1.0688727844652317, "supercell": 331, "dopant_chemical_potential": -3.7374191225, "eform": 0.6579911325000007, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: e76f22f8ac6c93179b49490775506c7f
username: fafb
key_value_pairs:
  {"name": "S2W_Pr_ads1", "host": "WS2", "dopant": "Pr", "site": "ads1", "depth": 2.3988578814177006, "conv1": -0.0018826, "conv2": 0.00382287, "en1": -381.56537228, "en2": -381.55780154, "defecttype": "adsorbate", "extension_factor": 0.927220668740202, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: aa30c7f94a062e08b4b16c366aaa7d95
username: fafb
key_value_pairs:
  {"name": "S2W_Ni_int2", "host": "WS2", "dopant": "Ni", "site": "int2", "depth": -0.022470232677580543, "conv1": -0.0153789, "conv2": 0.00767957, "en1": -370.82641983, "en2": -370.70708439, "defecttype": "interstitial", "extension_factor": 2.3701962136420818, "supercell": 441, "dopant_chemical_potential": -5.469610195, "eform": 14.428715775000024, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 4, "converged": true}


unique_id: be7e701a32359a73dfee4adc0e726b95
username: fafb
key_value_pairs:
  {"name": "NbSe2_F_ads2", "host": "NbSe2", "dopant": "F", "site": "ads2", "depth": 0.09018248361679579, "conv1": -0.0201462, "conv2": -8.68445e-05, "en1": -182.3881464, "en2": -182.42169962, "defecttype": "interstitial", "extension_factor": 1.0588559204688426, "supercell": 331, "dopant_chemical_potential": -1.8299670325, "eform": -1.7355353474999982, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 7f23a7ac7e434cf4aaf5807e27fe9864
username: fafb
key_value_pairs:
  {"name": "S2Sn_F_ads0", "host": "SnS2", "dopant": "F", "site": "ads0", "depth": 1.9691943046297264, "conv1": -0.00489545, "conv2": 0.0007229119999999, "en1": -110.90634095, "en2": -110.91201374, "defecttype": "adsorbate", "extension_factor": 0.9857492944314952, "supercell": 331, "dopant_chemical_potential": -1.8299670325, "eform": -1.4962832275000089, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 72286cfcc356be799e105a516ab8bfb0
username: fafb
key_value_pairs:
  {"name": "S2W_Ge_int0", "host": "WS2", "dopant": "Ge", "site": "int0", "depth": -0.005120058909773343, "conv1": 0.2337719999999999, "conv2": -0.05647, "en1": -352.2462335, "en2": -352.09177128, "defecttype": "interstitial", "extension_factor": 1.9888052700553565, "supercell": 441, "dopant_chemical_potential": -4.507869405, "eform": 32.08228809500002, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 4, "converged": false}


unique_id: 456711eda0758b3e6141eac45108ab08
username: fafb
key_value_pairs:
  {"name": "Se2W_Ru_ads1", "host": "WSe2", "dopant": "Ru", "site": "ads1", "depth": 1.6675465975358876, "conv1": 0.00120041, "conv2": -3.95608e-05, "en1": -351.53932941, "en2": -351.53782048, "defecttype": "adsorbate", "extension_factor": 0.8775880746047636, "supercell": 441, "dopant_chemical_potential": -9.241992205, "eform": 4.492611644999982, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: cc6cc129e479416aa3c9ac06bc6df9ad
username: fafb
key_value_pairs:
  {"name": "NbS2_Rb_int1", "host": "NbS2", "dopant": "Rb", "site": "int1", "depth": -0.004005756996907833, "conv1": 0.0722396, "conv2": 0.00328793, "en1": -181.39307681, "en2": -181.07110277, "defecttype": "interstitial", "extension_factor": 2.5498970390715523, "supercell": 331, "dopant_chemical_potential": -0.933634225, "eform": 15.184909144999985, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 4, "converged": false}


unique_id: 3e084d22a5918b1390c9421165c103f7
username: fafb
key_value_pairs:
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