# systems

unique_id: d5c2783ecf83006324779020548513cc
username: fafb
key_value_pairs:
  {"name": "S2Ti_La_ads2", "host": "TiS2", "dopant": "La", "site": "ads2", "depth": 2.005733837670673, "conv1": -0.00377299, "conv2": -0.000442308, "en1": -185.44594147, "en2": -185.25089133, "defecttype": "adsorbate", "extension_factor": 0.8530008987355786, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: bab30c62ea3866aa2ac1e32253e411ab
username: fafb
key_value_pairs:
  {"name": "S2Ta_S_ads2", "host": "TaS2", "dopant": "S", "site": "ads2", "depth": 0.0326979926946219, "conv1": -0.949017, "conv2": -0.00100163, "en1": -209.27974776, "en2": -210.88461188, "defecttype": "interstitial", "extension_factor": 0.9970857376524976, "supercell": 331, "dopant_chemical_potential": -3.50545684, "eform": 0.7180941000000081, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: 5ccf5d1b7f0d681abc8fcbfb3f703fea
username: fafb
key_value_pairs:
  {"name": "S2Zr_Yb_ads1", "host": "ZrS2", "dopant": "Yb", "site": "ads1", "depth": 2.025829903800881, "conv1": 0.00785721, "conv2": 0.00225011, "en1": -194.40848599, "en2": -194.42832023, "defecttype": "adsorbate", "extension_factor": 0.8868693231375584, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 9066bfdc22517da1ad2ae94d2f615757
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Ir_int1", "host": "Re4Se8", "dopant": "Ir", "site": "int1", "depth": -0.03297985178777348, "conv1": -0.862959, "conv2": -0.109758, "en1": -322.74369152, "en2": -324.54695254, "defecttype": "interstitial", "extension_factor": 1.971210876104712, "supercell": 221, "dopant_chemical_potential": -8.8569808225, "eform": 13.819530042499974, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 1, "converged": false}


unique_id: d56aac12da8b4659b9793c861d4022ed
username: fafb
key_value_pairs:
  {"name": "S2Zr_In_ads0", "host": "ZrS2", "dopant": "In", "site": "ads0", "depth": 2.794278911111573, "conv1": -0.355603, "conv2": 0.479911, "en1": -196.82936277, "en2": -197.02803413, "defecttype": "adsorbate", "extension_factor": 1.0459736043784846, "supercell": 331, "dopant_chemical_potential": -2.5362335, "eform": -3.0539195300000106, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": -1, "converged": false}


unique_id: df4577e664083dd3b98c7054f529868c
username: fafb
key_value_pairs:
  {"name": "S2Zr_H_ads1", "host": "ZrS2", "dopant": "H", "site": "ads1", "depth": 1.118195732519846, "conv1": -0.00365176, "conv2": -0.000586829, "en1": -193.71984245, "en2": -193.78794103, "defecttype": "adsorbate", "extension_factor": 0.9759137359467333, "supercell": 331, "dopant_chemical_potential": -3.3953663975, "eform": 1.0453064674999857, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 69044839371c68f5563865389c5ea064
username: fafb
key_value_pairs:
  {"name": "S2Zr_Pt_int0", "host": "ZrS2", "dopant": "Pt", "site": "int0", "depth": 0.0009756941501135867, "conv1": -0.00319096, "conv2": -0.0778136, "en1": -194.00171727, "en2": -195.66202943, "defecttype": "interstitial", "extension_factor": 1.3246186665084738, "supercell": 331, "dopant_chemical_potential": -6.1156370275, "eform": 1.8914886975000087, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: b0b3c92193a165009932cd81e558df6f
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Sm_ads1", "host": "TaSe2", "dopant": "Sm", "site": "ads1", "depth": 3.271545496363957, "conv1": 0.0840914, "conv2": -0.0788039, "en1": -191.3604922, "en2": -191.50023046, "defecttype": "adsorbate", "extension_factor": 1.2088135789829246, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: af07e6e2a3546ac812e03ce8780ccd68
username: fafb
key_value_pairs:
  {"name": "S2Ti_Fe_ads2", "host": "TiS2", "dopant": "Fe", "site": "ads2", "depth": 1.2366921467939347, "conv1": -0.0315656999999999, "conv2": -0.0184789, "en1": -185.49254525, "en2": -185.97282718, "defecttype": "adsorbate", "extension_factor": 0.8262477974478307, "supercell": 331, "dopant_chemical_potential": -8.24112909, "eform": -0.9585852099999828, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": -2, "converged": true}


unique_id: b83b33bcf19e340498cc88f9aa1d377f
username: fafb
key_value_pairs:
  {"name": "S2Ti_Cd_int2", "host": "TiS2", "dopant": "Cd", "site": "int2", "depth": -1.2688975429008775, "conv1": 8.47525e-05, "conv2": 0.00472435, "en1": -177.10811684, "en2": -177.46667651, "defecttype": "adsorbate", "extension_factor": 1.3711723890511125, "supercell": 331, "dopant_chemical_potential": -0.76510757, "eform": 0.07154394, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: bed0bc80c541ac7435132a2c2778b987
username: fafb
key_value_pairs:
  {"name": "S2Zr_Ru_ads1", "host": "ZrS2", "dopant": "Ru", "site": "ads1", "depth": 1.7047850800507394, "conv1": -0.0101165, "conv2": 0.00110773, "en1": -197.86484572, "en2": -197.89033158, "defecttype": "adsorbate", "extension_factor": 0.8378303369584599, "supercell": 331, "dopant_chemical_potential": -9.241992205, "eform": 2.7895417249999905, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 8b91da4795d129a7d87c39d6850ab9e4
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Y_ads2", "host": "Re4Se8", "dopant": "Y", "site": "ads2", "depth": 1.760767343883471, "conv1": -0.0111924, "conv2": -0.00241925, "en1": -333.50835542, "en2": -333.86113776, "defecttype": "adsorbate", "extension_factor": 0.8799446925162109, "supercell": 221, "dopant_chemical_potential": -6.42870606, "eform": 2.077070059999958, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 3, "converged": true}


unique_id: 5938c16e2a41258e980e41d32a147586
username: fafb
key_value_pairs:
  {"name": "S2Ti_Sr_ads0", "host": "TiS2", "dopant": "Sr", "site": "ads0", "depth": 2.598510612264019, "conv1": -0.000479495, "conv2": 0.0111967999999999, "en1": -123.76290595, "en2": -180.37809002, "defecttype": "adsorbate", "extension_factor": 0.9209891035304936, "supercell": 331, "dopant_chemical_potential": -1.6408387475, "eform": -1.9641383924999885, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 5e10f43fe3db8a8a4f9be0989e237899
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Cl_ads2", "host": "Re4Se8", "dopant": "Cl", "site": "ads2", "depth": 2.0097917965154792, "conv1": 0.00314114, "conv2": -0.0004981909999999, "en1": -330.84780474, "en2": -330.86506973, "defecttype": "adsorbate", "extension_factor": 1.1576655800443612, "supercell": 221, "dopant_chemical_potential": -1.84984151, "eform": 0.4942735399999618, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 1, "converged": true}


unique_id: 996e28702282d56195f36160e5f96a55
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Tl_ads2", "host": "TaSe2", "dopant": "Tl", "site": "ads2", "depth": 2.3314371980984023, "conv1": -0.00290789, "conv2": -9.41303e-05, "en1": -192.6197937, "en2": -192.62713927, "defecttype": "adsorbate", "extension_factor": 1.1106726622665752, "supercell": 331, "dopant_chemical_potential": -2.229339995, "eform": 0.0697147950000065, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 7afe5533fc533ff43da7bf4e4af0b8aa
username: fafb
key_value_pairs:
  {"name": "S2Ta_H_int0", "host": "TaS2", "dopant": "H", "site": "int0", "depth": 0.0002759730895836313, "conv1": -0.00328925, "conv2": -0.000672503, "en1": -210.40286029, "en2": -210.40105223, "defecttype": "interstitial", "extension_factor": 1.0504529105444, "supercell": 331, "dopant_chemical_potential": -3.3953663975, "eform": 1.0915633074999975, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 6d7cac3df50a158de8df0beeaf36df28
username: fafb
key_value_pairs:
  {"name": "S2Zr_Ir_int1", "host": "ZrS2", "dopant": "Ir", "site": "int1", "depth": 0.9039630776712949, "conv1": -0.00367963, "conv2": -0.000579005, "en1": -197.97297588, "en2": -198.00584419, "defecttype": "interstitial", "extension_factor": 1.0364085826717793, "supercell": 331, "dopant_chemical_potential": -8.8569808225, "eform": 2.2890177324999943, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 58598020593e0ca459071af519c680f0
username: fafb
key_value_pairs:
  {"name": "Se2Sn_Tl_int2", "host": "SnSe2", "dopant": "Tl", "site": "int2", "depth": 2.0952073690401116, "conv1": -0.0634163, "conv2": 0.212915, "en1": -103.0356876, "en2": -102.67149047, "defecttype": "interstitial", "extension_factor": 1.1488717468941834, "supercell": 331, "dopant_chemical_potential": -2.229339995, "eform": 2.7077345850000083, "hostenergy": -103.14988506, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: e5fd0068f3de27640a6c1dfc4315eec9
username: fafb
key_value_pairs:
  {"name": "Re4Se8_In_ads0", "host": "Re4Se8", "dopant": "In", "site": "ads0", "depth": 2.4729326224533263, "conv1": -0.00465058, "conv2": -0.000275184, "en1": -330.33344712, "en2": -330.34341209, "defecttype": "adsorbate", "extension_factor": 1.020154605131942, "supercell": 221, "dopant_chemical_potential": -2.5362335, "eform": 1.7023231699999624, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 1, "converged": true}


unique_id: 3de1b42cef72fc34942e14091b079f48
username: fafb
key_value_pairs:
  {"name": "S2Ti_F_ads0", "host": "TiS2", "dopant": "F", "site": "ads0", "depth": 2.0991417082247845, "conv1": 0.0041113, "conv2": -0.00136714, "en1": -179.95305356, "en2": -179.95396338, "defecttype": "adsorbate", "extension_factor": 0.9891357807370912, "supercell": 331, "dopant_chemical_potential": -1.8299670325, "eform": -1.3508834674999912, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 3c8b5a4de9ce33b66d21187bbb9e4133
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Pt_int0", "host": "Re4Se8", "dopant": "Pt", "site": "int0", "depth": -0.0018622997581401466, "conv1": -2.45577, "conv2": -0.0627615, "en1": -265.19961207, "en2": -268.3572319, "defecttype": "interstitial", "extension_factor": 9.323172156427592, "supercell": 221, "dopant_chemical_potential": -6.1156370275, "eform": 67.26790688749999, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": -2, "converged": false}


unique_id: 5097adf38df0bb5dda34b50bf2cc553b
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Al_int2", "host": "Re4Se8", "dopant": "Al", "site": "int2", "depth": -0.5925805651599921, "conv1": -0.0524588, "conv2": -0.0874293, "en1": -329.44977685, "en2": -330.01475646, "defecttype": "interstitial", "extension_factor": 1.063255767655651, "supercell": 221, "dopant_chemical_potential": -3.7374191225, "eform": 3.232164422499977, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 1, "converged": false}


unique_id: 86dfa982dc22442002eb8e13f2e11bc1
username: fafb
key_value_pairs:
  {"name": "S2Ta_Re_ads2", "host": "TaS2", "dopant": "Re", "site": "ads2", "depth": 1.1050168153075375, "conv1": -0.179174, "conv2": 9.49437e-05, "en1": -217.90675962, "en2": -218.15681817, "defecttype": "adsorbate", "extension_factor": 0.7225779092503497, "supercell": 331, "dopant_chemical_potential": -12.42760037, "eform": 2.3680313399999946, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 2, "converged": false}


unique_id: 9ece73533fedba1c25e30ba1ca29f2e7
username: fafb
key_value_pairs:
  {"name": "S2Ta_Br_int2", "host": "TaS2", "dopant": "Br", "site": "int2", "depth": 1.3338258347601393, "conv1": -0.00212465, "conv2": -0.0029757, "en1": -206.22698515, "en2": -206.22635909, "defecttype": "adsorbate", "extension_factor": 1.2804782340858405, "supercell": 331, "dopant_chemical_potential": -1.64240752625, "eform": 3.5132975762500136, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 320379f71fe89f007b3230dad881a9e2
username: fafb
key_value_pairs:
  {"name": "Se2Sn_Bi_ads1", "host": "SnSe2", "dopant": "Bi", "site": "ads1", "depth": 1.9980845981514548, "conv1": -0.117315, "conv2": -1.45404, "en1": -108.43151713, "en2": -109.41871924, "defecttype": "adsorbate", "extension_factor": 1.0227866597907174, "supercell": 331, "dopant_chemical_potential": -3.8828783716666666, "eform": -2.3859558083333323, "hostenergy": -103.14988506, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: cd4501385a0c9b8c6e5aff71b31b883c
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Nd_ads0", "host": "TaSe2", "dopant": "Nd", "site": "ads0", "depth": 2.658726540816508, "conv1": -0.248185, "conv2": -0.0234755, "en1": -192.74135206, "en2": -193.44527682, "defecttype": "adsorbate", "extension_factor": 0.940025318956928, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 2, "converged": false}


unique_id: e81de41d981e745119ae426d64096118
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Ru_ads1", "host": "Re4Se8", "dopant": "Ru", "site": "ads1", "depth": 1.9349302313007737, "conv1": -0.000669755, "conv2": -0.000133027, "en1": -333.28992695, "en2": -333.29733145, "defecttype": "adsorbate", "extension_factor": 0.9365865866316652, "supercell": 221, "dopant_chemical_potential": -9.241992205, "eform": 5.454162514999976, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 2, "converged": true}


unique_id: b277955738f821d3aa6684aba973faea
username: fafb
key_value_pairs:
  {"name": "Se2Sn_Ag_ads2", "host": "SnSe2", "dopant": "Ag", "site": "ads2", "depth": 1.9258269469253448, "conv1": -0.00210948, "conv2": -0.000152376, "en1": -104.90847920000002, "en2": -104.91954779, "defecttype": "adsorbate", "extension_factor": 1.0027614137509977, "supercell": 331, "dopant_chemical_potential": -2.7174974175, "eform": 0.9478346875000072, "hostenergy": -103.14988506, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: e6066aa0bf68748d37a9af881657b37d
username: fafb
key_value_pairs:
  {"name": "Se2Ta_C_ads2", "host": "TaSe2", "dopant": "C", "site": "ads2", "depth": 0.8680946255735869, "conv1": -0.0625013, "conv2": -0.0378259, "en1": -195.22904393, "en2": -195.26276776, "defecttype": "interstitial", "extension_factor": 1.0591117662977927, "supercell": 331, "dopant_chemical_potential": -9.2282470075, "eform": 4.432993317499991, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: 63e3040bc06ea32dc028228feb2f574a
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Rh_int1", "host": "Re4Se8", "dopant": "Rh", "site": "int1", "depth": -0.19636084397603135, "conv1": -0.168794, "conv2": -0.0243217, "en1": -323.00190411, "en2": -323.40044971, "defecttype": "interstitial", "extension_factor": 1.5534613661686352, "supercell": 221, "dopant_chemical_potential": -7.24930329, "eform": 13.358355340000005, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 1, "converged": false}


unique_id: 1834be1297e1d562845db692ea013269
username: fafb
key_value_pairs:
  {"name": "S2Ti_Dy_ads0", "host": "TiS2", "dopant": "Dy", "site": "ads0", "depth": 2.5387386057407824, "conv1": -0.0139846, "conv2": 0.00681948, "en1": -181.06569541, "en2": -181.29372531, "defecttype": "adsorbate", "extension_factor": 0.9228971885644138, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: d3ebf722e4a384ba51a8b656df9423ca
username: fafb
key_value_pairs:
  {"name": "S2Ta_Nb_int0", "host": "TaS2", "dopant": "Nb", "site": "int0", "depth": -2.4002245520799383, "conv1": -0.4763439999999999, "conv2": 0.151424, "en1": -175.86498997, "en2": -186.67137895, "defecttype": "adsorbate", "extension_factor": 11.695015429658806, "supercell": 331, "dopant_chemical_potential": -10.22726841, "eform": 31.65313860000001, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 4, "converged": false}


unique_id: 9aed76b428db590ee6253ba08df41c15
username: fafb
key_value_pairs:
  {"name": "S2Zr_Cl_ads2", "host": "ZrS2", "dopant": "Cl", "site": "ads2", "depth": 1.2998469111084427, "conv1": -0.00471859, "conv2": -0.00918699, "en1": -192.55244049, "en2": -192.53361425, "defecttype": "adsorbate", "extension_factor": 1.182958875121136, "supercell": 331, "dopant_chemical_potential": -1.84984151, "eform": 0.7541083599999991, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 636b404870866f5149d927afa5897496
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Ni_ads2", "host": "Re4Se8", "dopant": "Ni", "site": "ads2", "depth": 1.5504209911542197, "conv1": 0.00877751, "conv2": 0.00151804, "en1": -332.19617227, "en2": -332.19542197, "defecttype": "adsorbate", "extension_factor": 0.9215679252175192, "supercell": 221, "dopant_chemical_potential": -5.469610195, "eform": 2.783689984999993, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 0, "converged": true}


unique_id: 2782fcb321d78e6055c76aab50cf4fde
username: fafb
key_value_pairs:
  {"name": "S2Ta_Tl_int0", "host": "TaS2", "dopant": "Tl", "site": "int0", "depth": -0.37061591558243184, "conv1": -2.18028, "conv2": -0.6794899999999999, "en1": -157.72934803, "en2": -162.37502869999997, "defecttype": "interstitial", "extension_factor": 4.962680219072389, "supercell": 331, "dopant_chemical_potential": -2.229339995, "eform": 47.95156043500001, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 3, "converged": false}


unique_id: 8e070f6680231da0e06993adbca452fb
username: fafb
key_value_pairs:
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