# systems

unique_id: d38d6fbbfa2f09090da406da411dcba5
username: fafb
key_value_pairs:
  {"name": "S2Ti_H_int1", "host": "TiS2", "dopant": "H", "site": "int1", "depth": -0.9072965761369723, "conv1": -0.00950751, "conv2": 0.0037303, "en1": -180.43756253, "en2": -180.91315855, "defecttype": "interstitial", "extension_factor": 1.1542255473935437, "supercell": 331, "dopant_chemical_potential": -3.3953663975, "eform": -0.7446792724999778, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 33c01c618fdf42f2136df0490385b3bf
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Mo_int1", "host": "Re4Se8", "dopant": "Mo", "site": "int1", "depth": -0.3428105503362147, "conv1": 0.11515, "conv2": -0.396098, "en1": -308.92332531, "en2": -317.55612004, "defecttype": "interstitial", "extension_factor": 1.9058195702891128, "supercell": 221, "dopant_chemical_potential": -10.90733766, "eform": 22.86071937999998, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 2, "converged": false}


unique_id: 9733d235f9ffaca426c9f56c4d386dba
username: fafb
key_value_pairs:
  {"name": "S2Ta_F_ads1", "host": "TaS2", "dopant": "F", "site": "ads1", "depth": 1.5006247265972892, "conv1": -0.00345215, "conv2": -0.0005665119999999, "en1": -211.13291964, "en2": -211.13770367, "defecttype": "adsorbate", "extension_factor": 1.1309808522318263, "supercell": 331, "dopant_chemical_potential": -1.8299670325, "eform": -1.2104874975000053, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: ec12a4ad324aa98beb5733b0724db463
username: fafb
key_value_pairs:
  {"name": "S2Ti_Ge_ads0", "host": "TiS2", "dopant": "Ge", "site": "ads0", "depth": 2.3492944540911376, "conv1": -0.00321906, "conv2": 0.00138597, "en1": -180.79827594, "en2": -180.83569918, "defecttype": "adsorbate", "extension_factor": 1.0072961224290953, "supercell": 331, "dopant_chemical_potential": -4.507869405, "eform": 0.4452831050000077, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 961e2eac3ba7cc2ad9d1c326fafd48df
username: fafb
key_value_pairs:
  {"name": "S2Ti_Ni_ads2", "host": "TiS2", "dopant": "Ni", "site": "ads2", "depth": 1.1820544016992292, "conv1": -0.00743364, "conv2": -0.0010094, "en1": -183.15259077, "en2": -183.42845651, "defecttype": "adsorbate", "extension_factor": 0.8228923107829018, "supercell": 331, "dopant_chemical_potential": -5.469610195, "eform": -1.1857334349999764, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: f996542ea23558ede22737a412713aa3
username: fafb
key_value_pairs:
  {"name": "S2Ti_Mg_ads1", "host": "TiS2", "dopant": "Mg", "site": "ads1", "depth": 1.984716862498947, "conv1": 0.00440987, "conv2": 0.00309811, "en1": -179.44955044, "en2": -179.54451526, "defecttype": "adsorbate", "extension_factor": 0.961802287002626, "supercell": 331, "dopant_chemical_potential": -1.502700195, "eform": -1.2687021849999836, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 4e420850273e24bc0219ae5b3d90a224
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Cu_ads1", "host": "TaSe2", "dopant": "Cu", "site": "ads1", "depth": 1.7212680249969645, "conv1": 0.0300092, "conv2": -0.00597057, "en1": -192.54213967, "en2": -192.87443238, "defecttype": "adsorbate", "extension_factor": 0.8839362473210279, "supercell": 331, "dopant_chemical_potential": -3.7298232125, "eform": 1.3229049024999908, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 15c501e3734ab93e731c7e0c044ce0e0
username: fafb
key_value_pairs:
  {"name": "S2Zr_Rb_ads0", "host": "ZrS2", "dopant": "Rb", "site": "ads0", "depth": 3.0355256456791353, "conv1": -0.00345819, "conv2": -0.000142744, "en1": -193.8942427, "en2": -193.9234065, "defecttype": "adsorbate", "extension_factor": 0.9749427214555538, "supercell": 331, "dopant_chemical_potential": -0.933634225, "eform": -1.5518911750000002, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 5bc33c1cd3f907507acca89da99ba6d5
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Al_ads1", "host": "TaSe2", "dopant": "Al", "site": "ads1", "depth": 2.0894042884492183, "conv1": -0.0029118, "conv2": -0.000977342, "en1": -192.95437762, "en2": -192.89937498, "defecttype": "adsorbate", "extension_factor": 1.047024951764726, "supercell": 331, "dopant_chemical_potential": -3.7374191225, "eform": 1.3055582124999885, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: c9a2a3c83e548ed93310324544e4a229
username: fafb
key_value_pairs:
  {"name": "S2Zr_Ag_ads1", "host": "ZrS2", "dopant": "Ag", "site": "ads1", "depth": 2.073778791740828, "conv1": -0.00352309, "conv2": 0.00164894, "en1": -192.88639752, "en2": -192.90773843, "defecttype": "adsorbate", "extension_factor": 1.0007378589349107, "supercell": 331, "dopant_chemical_potential": -2.7174974175, "eform": 1.2476400875000038, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 45f4e42536791669f50db2e85343317a
username: fafb
key_value_pairs:
  {"name": "Se2Ta_H_int2", "host": "TaSe2", "dopant": "H", "site": "int2", "depth": 0.4057034911789008, "conv1": -0.00210623, "conv2": -6.75619e-05, "en1": -193.1743607, "en2": -193.17973797, "defecttype": "interstitial", "extension_factor": 1.0745603677664652, "supercell": 331, "dopant_chemical_potential": -3.3953663975, "eform": 0.6831424975000022, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: d123632525053e8670bdb332355c0a02
username: fafb
key_value_pairs:
  {"name": "S2Zr_Bi_ads2", "host": "ZrS2", "dopant": "Bi", "site": "ads2", "depth": 1.9540196572537174, "conv1": 2.1642, "conv2": -0.520944, "en1": -193.1163894, "en2": -195.37293101, "defecttype": "adsorbate", "extension_factor": 1.0533872471268946, "supercell": 331, "dopant_chemical_potential": -3.8828783716666666, "eform": -0.0521715383333369, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: e5ea761777ee9ffc2d0ff57a53bbec90
username: fafb
key_value_pairs:
  {"name": "Se2Sn_Cl_ads1", "host": "SnSe2", "dopant": "Cl", "site": "ads1", "depth": 2.033583144746513, "conv1": -0.00484073, "conv2": -0.000413578, "en1": -104.60382259, "en2": -104.63618191, "defecttype": "adsorbate", "extension_factor": 1.1423869942438467, "supercell": 331, "dopant_chemical_potential": -1.84984151, "eform": 0.3635446599999978, "hostenergy": -103.14988506, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 84307f4338af7f02e42cf0712031a4b2
username: fafb
key_value_pairs:
  {"name": "S2Ti_As_ads0", "host": "TiS2", "dopant": "As", "site": "ads0", "depth": 2.4636343281872377, "conv1": 0.00271548, "conv2": 4.5559e-05, "en1": -180.31081195, "en2": -180.33754866, "defecttype": "adsorbate", "extension_factor": 0.9879508514822304, "supercell": 331, "dopant_chemical_potential": -4.681127165, "eform": 1.1166913850000038, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 9d207641b53b3d75e00f2a8edad0620c
username: fafb
key_value_pairs:
  {"name": "Re4Se8_Pb_int0", "host": "Re4Se8", "dopant": "Pb", "site": "int0", "depth": -0.3729891099554694, "conv1": 0.0159196, "conv2": -0.416637, "en1": -317.79952018, "en2": -319.37174631, "defecttype": "interstitial", "extension_factor": 1.7677765121325857, "supercell": 221, "dopant_chemical_potential": -3.554778985, "eform": 13.692534434999985, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 2, "converged": true}


unique_id: 4312354b271472a7814ea3f27ff8d091
username: fafb
key_value_pairs:
  {"name": "S2Ta_C_ads0", "host": "TaS2", "dopant": "C", "site": "ads0", "depth": 1.9574887860139287, "conv1": -0.00336368, "conv2": -0.00136085, "en1": -212.45023411, "en2": -212.45647017, "defecttype": "adsorbate", "extension_factor": 0.9839216195354132, "supercell": 331, "dopant_chemical_potential": -9.2282470075, "eform": 4.869025977500014, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 2fee33149f10c33abba06b78c33966da
username: fafb
key_value_pairs:
  {"name": "S2Zr_Tl_int1", "host": "ZrS2", "dopant": "Tl", "site": "int1", "depth": 1.0452823523426777, "conv1": -0.0120622, "conv2": -0.990901, "en1": -189.63776313, "en2": -190.45229011, "defecttype": "interstitial", "extension_factor": 1.132822698645825, "supercell": 331, "dopant_chemical_potential": -2.229339995, "eform": 3.214930984999992, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: e835adf0cd7cc2081658d4619a000bda
username: fafb
key_value_pairs:
  {"name": "S2Ti_P_ads0", "host": "TiS2", "dopant": "P", "site": "ads0", "depth": 2.269112594819709, "conv1": 0.00121004, "conv2": -0.000530002, "en1": -180.90569116, "en2": -180.91144084, "defecttype": "adsorbate", "extension_factor": 0.98717650978811, "supercell": 331, "dopant_chemical_potential": -5.37555892, "eform": 1.2372309600000015, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 1df4a0b2dd6c0593fc3d72d44d3d1441
username: fafb
key_value_pairs:
  {"name": "S2Zr_B_int0", "host": "ZrS2", "dopant": "B", "site": "int0", "depth": -0.0005689371848827831, "conv1": -0.00209764, "conv2": 0.0002331709999999, "en1": -194.87314978, "en2": -194.88403623, "defecttype": "interstitial", "extension_factor": 1.0758475294311494, "supercell": 331, "dopant_chemical_potential": -6.7059564875, "eform": 3.2598013575000064, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 670f4790dc655d8ea7cd6925b64b86a1
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Rh_ads2", "host": "TaSe2", "dopant": "Rh", "site": "ads2", "depth": 1.7485300094254317, "conv1": 0.30094, "conv2": -2.44104, "en1": -195.07342569, "en2": -195.01189733, "defecttype": "adsorbate", "extension_factor": 0.939796147475922, "supercell": 331, "dopant_chemical_potential": -7.24930329, "eform": 2.7049200299999825, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: 85d3c938d03d5b57b1ec56960dd8715a
username: fafb
key_value_pairs:
  {"name": "Re4Se8_O_ads1", "host": "Re4Se8", "dopant": "O", "site": "ads1", "depth": 1.5861296704942218, "conv1": -0.00412123, "conv2": -3.51488e-05, "en1": -334.45694094, "en2": -334.46001887, "defecttype": "adsorbate", "extension_factor": 0.9525237837366186, "supercell": 221, "dopant_chemical_potential": -4.953416425, "eform": 0.0028993149999791, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 0, "converged": true}


unique_id: bfa93a9c1451e628f79c8eea92e4d03e
username: fafb
key_value_pairs:
  {"name": "S2Ta_Lu_ads1", "host": "TaS2", "dopant": "Lu", "site": "ads1", "depth": 2.03363426607949, "conv1": -0.153173, "conv2": -0.00108743, "en1": -213.13000762, "en2": -213.84977878, "defecttype": "adsorbate", "extension_factor": 0.881292388718348, "supercell": 331, "dopant_chemical_potential": -4.452474715, "eform": -1.3000549250000055, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: 9a4d0ab646c44de82f288e6766fef3bc
username: fafb
key_value_pairs:
  {"name": "S2Ti_Co_ads1", "host": "TiS2", "dopant": "Co", "site": "ads1", "depth": 1.6711383713374073, "conv1": -0.0695551, "conv2": -0.0114327, "en1": -183.35657464, "en2": -183.42598479, "defecttype": "adsorbate", "extension_factor": 0.8908731424309572, "supercell": 331, "dopant_chemical_potential": -7.035318725, "eform": 0.3824468150000122, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 3, "converged": false}


unique_id: fb01463dbde9d05505d78969d6d67818
username: fafb
key_value_pairs:
  {"name": "S2Ti_Sc_ads0", "host": "TiS2", "dopant": "Sc", "site": "ads0", "depth": 2.404329753350358, "conv1": -0.0414487, "conv2": -0.00998374, "en1": -182.45130905, "en2": -182.70256814, "defecttype": "adsorbate", "extension_factor": 0.9456537291003236, "supercell": 331, "dopant_chemical_potential": -6.249091255, "eform": 0.3196359950000023, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 937713770e6dc2e249e81807ccbda3cf
username: fafb
key_value_pairs:
  {"name": "S2Ti_Au_ads1", "host": "TiS2", "dopant": "Au", "site": "ads1", "depth": 1.9971395282859352, "conv1": -0.0033326, "conv2": -0.00178738, "en1": -179.04126489, "en2": -179.05347342, "defecttype": "adsorbate", "extension_factor": 0.9845546965984644, "supercell": 331, "dopant_chemical_potential": -3.2074311425, "eform": 0.9270706025000246, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: f365428c3c84d61f259fa30ad3e62361
username: fafb
key_value_pairs:
  {"name": "Se2Sn_Li_int1", "host": "SnSe2", "dopant": "Li", "site": "int1", "depth": -0.4745496708416977, "conv1": -0.0911048, "conv2": -0.000537364, "en1": -105.57366117, "en2": -105.96445061, "defecttype": "interstitial", "extension_factor": 1.2516501108985043, "supercell": 331, "dopant_chemical_potential": -1.90645214, "eform": -0.9081134099999976, "hostenergy": -103.14988506, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: 2ee05fa07c4624b4f334b8c8d514946b
username: fafb
key_value_pairs:
  {"name": "Re4Se8_H_ads2", "host": "Re4Se8", "dopant": "H", "site": "ads2", "depth": 1.191378103369327, "conv1": -0.00302049, "conv2": -6.9272e-05, "en1": -331.16060126, "en2": -331.16515579, "defecttype": "adsorbate", "extension_factor": 1.1057330225268305, "supercell": 221, "dopant_chemical_potential": -3.3953663975, "eform": 1.7397123675000064, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 1, "converged": true}


unique_id: 4bc30a7175c5c0d8bef3c4255d8f1c80
username: fafb
key_value_pairs:
  {"name": "S2Ti_Cu_int2", "host": "TiS2", "dopant": "Cu", "site": "int2", "depth": -0.9174266861567839, "conv1": -0.00133491, "conv2": -0.0136239, "en1": -179.99593332, "en2": -180.06034951, "defecttype": "interstitial", "extension_factor": 1.0252114011445497, "supercell": 331, "dopant_chemical_potential": -3.7298232125, "eform": 0.4425865825000046, "hostenergy": -176.77311288, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 5954126c297cf92b08bcedaf6f5ceac6
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Mg_int2", "host": "TaSe2", "dopant": "Mg", "site": "int2", "depth": 0.941441369482721, "conv1": -0.0217513, "conv2": 0.0169023, "en1": -191.02543753, "en2": -191.02846948, "defecttype": "adsorbate", "extension_factor": 1.123084379694541, "supercell": 331, "dopant_chemical_potential": -1.502700195, "eform": 0.9417447849999804, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: b18189d6d954ae47c925eb280a6f864e
username: fafb
key_value_pairs:
  {"name": "Se2Ta_Hf_ads2", "host": "TaSe2", "dopant": "Hf", "site": "ads2", "depth": 2.660200448517452, "conv1": 0.000384579, "conv2": -0.0611540999999999, "en1": -161.1515093, "en2": -193.97033974, "defecttype": "adsorbate", "extension_factor": 1.1187479201618664, "supercell": 331, "dopant_chemical_potential": -9.92359994, "eform": 6.420774270000009, "hostenergy": -190.46751407, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: f85e078f006e95e01e0b222bd43820f1
username: fafb
key_value_pairs:
  {"name": "S2Zr_Nb_int1", "host": "ZrS2", "dopant": "Nb", "site": "int1", "depth": 1.1651976840441853, "conv1": -0.00436911, "conv2": -0.0001499239999999, "en1": -200.628357, "en2": -200.6631023, "defecttype": "adsorbate", "extension_factor": 1.1367742829692549, "supercell": 331, "dopant_chemical_potential": -10.22726841, "eform": 1.0020472100000075, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": -1, "converged": true}


unique_id: 24098e24c7850f328a9e072799b006ed
username: fafb
key_value_pairs:
  {"name": "S2Sn_In_int1", "host": "SnS2", "dopant": "In", "site": "int1", "depth": 1.0648624137192486, "conv1": 0.8314379999999999, "conv2": -1.61206, "en1": -122.07617634, "en2": -121.74195988, "defecttype": "adsorbate", "extension_factor": 1.1825511376661142, "supercell": 331, "dopant_chemical_potential": -2.5362335, "eform": -11.6199629, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 0, "converged": false}


unique_id: 931b806cb4026092be08f9e87bd5f77b
username: fafb
key_value_pairs:
  {"name": "Re4Se8_I_ads0", "host": "Re4Se8", "dopant": "I", "site": "ads0", "depth": 2.5529251856298045, "conv1": -0.00268249, "conv2": -7.11493e-05, "en1": -330.12567564, "en2": -330.12686247, "defecttype": "adsorbate", "extension_factor": 1.0638975341888397, "supercell": 221, "dopant_chemical_potential": -1.522929255, "eform": 0.905568544999986, "hostenergy": -329.50950176, "host_spacegroup": 2, "spin": 1, "converged": true}


unique_id: cb01c63e358a71c59142f846826098ca
username: fafb
key_value_pairs:
  {"name": "S2Ta_Ir_int0", "host": "TaS2", "dopant": "Ir", "site": "int0", "depth": 0.40323383626062104, "conv1": -0.149749, "conv2": 0.00537187, "en1": -213.06437734, "en2": -215.23701648, "defecttype": "interstitial", "extension_factor": 1.5845502156296989, "supercell": 331, "dopant_chemical_potential": -8.8569808225, "eform": 1.717213482500009, "hostenergy": -208.09724914, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: dedbbf1baf6d3a7a8699743740192c48
username: fafb
key_value_pairs:
  {"name": "S2Zr_Y_ads1", "host": "ZrS2", "dopant": "Y", "site": "ads1", "depth": 1.74158217116521, "conv1": -0.0516706, "conv2": -0.000839416, "en1": -198.53860661, "en2": -198.63940646, "defecttype": "adsorbate", "extension_factor": 0.8199002248140794, "supercell": 331, "dopant_chemical_potential": -6.42870606, "eform": -0.7728193000000054, "hostenergy": -191.4378811, "host_spacegroup": 164, "spin": 3, "converged": false}


unique_id: 2d904081068ecff1d184874f3d30108d
username: fafb
key_value_pairs:
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