# systems

unique_id: 859234aaa473424565809e1ab5d21b0f
username: fafb
key_value_pairs:
  {"name": "Pd2Se4_Ho_ads0", "host": "Pd2Se4", "dopant": "Ho", "site": "ads0", "depth": 3.8182678187845647, "conv1": -0.00237857, "conv2": -0.0257125, "en1": -106.41568811, "en2": -106.46057187, "defecttype": "adsorbate", "extension_factor": 0.9533834234991952, "supercell": 221, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -104.30033111, "host_spacegroup": 14, "spin": 1, "converged": true}


unique_id: a47f870b8a449f35ee785edd06a0dcf4
username: fafb
key_value_pairs:
  {"name": "MoSSe_Cr_ads4", "host": "MoSSe", "dopant": "Cr", "site": "ads4", "depth": -2.096922966511416, "conv1": -0.00270806, "conv2": -2.74538e-05, "en1": -341.56349026, "en2": -341.55558212, "defecttype": "adsorbate", "extension_factor": 1.001391120738571, "supercell": 441, "dopant_chemical_potential": -9.512811205, "eform": 3.1808688450000293, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 6, "converged": true}


unique_id: ae5de30ccb577dac125c47b57c348ae7
username: fafb
key_value_pairs:
  {"name": "NiSe2_Rh_ads0", "host": "NiSe2", "dopant": "Rh", "site": "ads0", "depth": 2.6849495235911913, "conv1": -0.0037811, "conv2": -0.000935932, "en1": -123.40545442, "en2": -123.411144, "defecttype": "adsorbate", "extension_factor": 0.9299513922171654, "supercell": 331, "dopant_chemical_potential": -7.24930329, "eform": 3.504890190000012, "hostenergy": -119.66673090000002, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 4539b5bf03f3f385677ede5194dde9fb
username: fafb
key_value_pairs:
  {"name": "MoSSe_Nb_int3", "host": "MoSSe", "dopant": "Nb", "site": "int3", "depth": 1.0880438812108943, "conv1": 0.0110869, "conv2": 0.0157131, "en1": -340.31462729, "en2": -340.24590536, "defecttype": "adsorbate", "extension_factor": 1.166613793391552, "supercell": 441, "dopant_chemical_potential": -10.22726841, "eform": 5.205002810000032, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 1, "converged": true}


unique_id: fa0eecb81c7ab4c3c8170059a1fb0895
username: fafb
key_value_pairs:
  {"name": "MoSSe_Ba_ads4", "host": "MoSSe", "dopant": "Ba", "site": "ads4", "depth": -2.497893011041771, "conv1": -0.00146868, "conv2": -9.1381e-05, "en1": -336.44323095, "en2": -336.43127066, "defecttype": "adsorbate", "extension_factor": 0.9637830048316444, "supercell": 441, "dopant_chemical_potential": -1.90654936, "eform": 0.6989184600000304, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 2, "converged": true}


unique_id: 8df8734ad325b0c7f8ef6a230306e2e6
username: fafb
key_value_pairs:
  {"name": "Pd2Se4_C_ads0", "host": "Pd2Se4", "dopant": "C", "site": "ads0", "depth": 3.2808618670381744, "conv1": -0.00240399, "conv2": -0.000579008, "en1": -107.74941655, "en2": -107.77329161, "defecttype": "adsorbate", "extension_factor": 0.9880491936083764, "supercell": 221, "dopant_chemical_potential": -9.2282470075, "eform": 5.755286507500001, "hostenergy": -104.30033111, "host_spacegroup": 14, "spin": 2, "converged": true}


unique_id: 11c043e9a83fb4cf5efaa3315d36c28c
username: fafb
key_value_pairs:
  {"name": "PtSe2_Se_int1", "host": "PtSe2", "dopant": "Se", "site": "int1", "depth": 0.973617448298274, "conv1": -0.0214928, "conv2": -0.0144882999999999, "en1": -127.32662572, "en2": -127.3375851, "defecttype": "interstitial", "extension_factor": 1.1670372503188782, "supercell": 331, "dopant_chemical_potential": -3.5038482133333333, "eform": 5.723835963333348, "hostenergy": -129.55757285, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 8c2d5a9724dbf0a518efb403fbcf1fcd
username: fafb
key_value_pairs:
  {"name": "Re4S8_Re_ads1", "host": "Re4S8", "dopant": "Re", "site": "ads1", "depth": 0.3180156222979308, "conv1": -0.00393007, "conv2": 0.00141778, "en1": -362.36117362, "en2": -362.3578643, "defecttype": "interstitial", "extension_factor": 0.9996846980587506, "supercell": 221, "dopant_chemical_potential": -12.42760037, "eform": 7.513204739999999, "hostenergy": -357.44346867, "host_spacegroup": 2, "spin": 5, "converged": true}


unique_id: c35c3d14d64bce58b5aa0dff773f4166
username: fafb
key_value_pairs:
  {"name": "NiSe2_Ru_int0", "host": "NiSe2", "dopant": "Ru", "site": "int0", "depth": -0.025282638609446635, "conv1": 0.00274389, "conv2": -0.0439953, "en1": -124.0338469, "en2": -124.27918324, "defecttype": "interstitial", "extension_factor": 2.0375623503481046, "supercell": 331, "dopant_chemical_potential": -9.241992205, "eform": 4.629539865000012, "hostenergy": -119.66673090000002, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 65ab7f4be91e897fceadff3b7b391173
username: fafb
key_value_pairs:
  {"name": "Re4S8_Er_int0", "host": "Re4S8", "dopant": "Er", "site": "int0", "depth": -0.5117431751250232, "conv1": 0.182344, "conv2": -0.0165250999999999, "en1": -335.3393824, "en2": -340.50976612, "defecttype": "interstitial", "extension_factor": 2.377480955879274, "supercell": 221, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -357.44346867, "host_spacegroup": 2, "spin": 3, "converged": false}


unique_id: b317532c6b7167a63ad43ee923659e4f
username: fafb
key_value_pairs:
  {"name": "PtS2_Ce_ads0", "host": "PtS2", "dopant": "Ce", "site": "ads0", "depth": 3.140643479028551, "conv1": 0.0456903, "conv2": 0.0144536, "en1": -143.09318443, "en2": -143.17878269999997, "defecttype": "adsorbate", "extension_factor": 0.9404004342724044, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -139.85481875, "host_spacegroup": 164, "spin": 4, "converged": true}


unique_id: f0e8cac56ab9af6b24d132e0b8386f25
username: fafb
key_value_pairs:
  {"name": "Re4S8_Pd_int0", "host": "Re4S8", "dopant": "Pd", "site": "int0", "depth": -0.2756975448171497, "conv1": -0.313427, "conv2": 0.00440448, "en1": -327.00243533, "en2": -331.37100009, "defecttype": "interstitial", "extension_factor": 7.553416560565371, "supercell": 221, "dopant_chemical_potential": -5.223210975, "eform": 31.295679555000017, "hostenergy": -357.44346867, "host_spacegroup": 2, "spin": -1, "converged": false}


unique_id: eaf8592cdc62c300ff0b3fb89689c1ed
username: fafb
key_value_pairs:
  {"name": "MoSSe_Er_int0", "host": "MoSSe", "dopant": "Er", "site": "int0", "depth": -0.5159890632190969, "conv1": -15900.3, "conv2": -0.204602, "en1": -80662.88212556, "en2": -328.9108004, "defecttype": "interstitial", "extension_factor": 35.62715516174383, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": -1, "converged": false}


unique_id: a625fc2c5da4840b01ec15f68fe8f662
username: fafb
key_value_pairs:
  {"name": "P4_Te_int1", "host": "P4", "dopant": "Te", "site": "int1", "depth": -0.5435127656424239, "conv1": -0.0678034, "conv2": 0.0059571, "en1": -339.95107137, "en2": -340.29851339999993, "defecttype": "interstitial", "extension_factor": 1.8481091887185297, "supercell": 441, "dopant_chemical_potential": -3.14365439, "eform": 4.795590500000007, "hostenergy": -341.95044951, "host_spacegroup": 53, "spin": 2, "converged": false}


unique_id: 804cde6a099f1b8db508827caea77491
username: fafb
key_value_pairs:
  {"name": "PtS2_Sn_ads2", "host": "PtS2", "dopant": "Sn", "site": "ads2", "depth": 2.4611017747343955, "conv1": -0.00395064, "conv2": -0.00120562, "en1": -141.97146209, "en2": -141.95199682, "defecttype": "adsorbate", "extension_factor": 1.1369849640906111, "supercell": 331, "dopant_chemical_potential": -3.846099155, "eform": 1.7489210849999877, "hostenergy": -139.85481875, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 2f6ad94884f60372524ff77708e69169
username: fafb
key_value_pairs:
  {"name": "NiSe2_Pt_ads1", "host": "NiSe2", "dopant": "Pt", "site": "ads1", "depth": 2.1997692680731897, "conv1": -0.00394107, "conv2": -5.40975e-05, "en1": -123.72003446, "en2": -123.72536679, "defecttype": "adsorbate", "extension_factor": 0.9905845092839696, "supercell": 331, "dopant_chemical_potential": -6.1156370275, "eform": 2.057001137500009, "hostenergy": -119.66673090000002, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 64734e2a48a91dfc44b5a42e946ce664
username: fafb
key_value_pairs:
  {"name": "MoSSe_Re_ads1", "host": "MoSSe", "dopant": "Re", "site": "ads1", "depth": 2.021326327775521, "conv1": -0.0722184, "conv2": -0.00363384, "en1": -340.55353616, "en2": -340.31980265, "defecttype": "adsorbate", "extension_factor": 0.9558452054155612, "supercell": 441, "dopant_chemical_potential": -12.42760037, "eform": 7.331437480000041, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 5, "converged": false}


unique_id: b2413111b06948857ed02e9d26f1fe71
username: fafb
key_value_pairs:
  {"name": "Pd2Se4_Ce_int0", "host": "Pd2Se4", "dopant": "Ce", "site": "int0", "depth": -1.5915993078907786, "conv1": -0.0997843, "conv2": -0.380046, "en1": -98.23592654, "en2": -97.76595551, "defecttype": "adsorbate", "extension_factor": 6.10241343245281, "supercell": 221, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -104.30033111, "host_spacegroup": 14, "spin": 2, "converged": false}


unique_id: 7734e6c356677ad1da8f330b509674bc
username: fafb
key_value_pairs:
  {"name": "PtSe2_Te_int0", "host": "PtSe2", "dopant": "Te", "site": "int0", "depth": -0.007227161524400807, "conv1": -0.15962, "conv2": 0.208167, "en1": -122.63062243, "en2": -122.5096621, "defecttype": "interstitial", "extension_factor": 2.465412799676101, "supercell": 331, "dopant_chemical_potential": -3.14365439, "eform": 10.191565140000012, "hostenergy": -129.55757285, "host_spacegroup": 164, "spin": 4, "converged": false}


unique_id: 3c3aa8eaa55418553f061786f947393c
username: fafb
key_value_pairs:
  {"name": "O2Ti_F_ads0", "host": "TiO2", "dopant": "F", "site": "ads0", "depth": 2.9372234046119954, "conv1": -0.00430415, "conv2": -7.30258e-05, "en1": -424.83017903, "en2": -424.83455491, "defecttype": "adsorbate", "extension_factor": 1.2014890201825832, "supercell": 441, "dopant_chemical_potential": -1.8299670325, "eform": 0.6403640225000151, "hostenergy": -423.6449519, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: bc13d800c927ce35f8a67c598630ccd8
username: fafb
key_value_pairs:
  {"name": "P4_B_ads0", "host": "P4", "dopant": "B", "site": "ads0", "depth": 2.725356421403173, "conv1": -0.00313903, "conv2": 7.690319999999999e-05, "en1": -343.76947466, "en2": -343.78018231, "defecttype": "adsorbate", "extension_factor": 1.0070175485885289, "supercell": 441, "dopant_chemical_potential": -6.7059564875, "eform": 4.876223687500012, "hostenergy": -341.95044951, "host_spacegroup": 53, "spin": 1, "converged": true}


unique_id: 3a4a1753c360723703de920f7d847b63
username: fafb
key_value_pairs:
  {"name": "MoSSe_Cd_int0", "host": "MoSSe", "dopant": "Cd", "site": "int0", "depth": 0.21848408141476622, "conv1": -0.0990086, "conv2": -0.392912, "en1": -262.40983973, "en2": -265.30153946, "defecttype": "interstitial", "extension_factor": 29.99849513156484, "supercell": 441, "dopant_chemical_potential": -0.76510757, "eform": 70.68720787000002, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 10, "converged": false}


unique_id: d4bc83ef5405c68da6c26bfa465ef058
username: fafb
key_value_pairs:
  {"name": "NiSe2_Au_int0", "host": "NiSe2", "dopant": "Au", "site": "int0", "depth": 0.027219446058689867, "conv1": 0.150621, "conv2": -0.00270856, "en1": -115.75160043, "en2": -117.17486282, "defecttype": "interstitial", "extension_factor": 2.6398789670445373, "supercell": 331, "dopant_chemical_potential": -3.2074311425, "eform": 5.699299222500002, "hostenergy": -119.66673090000002, "host_spacegroup": 164, "spin": 3, "converged": false}


unique_id: 64240f3ab8415ac6c332a0268bd8a334
username: fafb
key_value_pairs:
  {"name": "MoSSe_Fe_ads0", "host": "MoSSe", "dopant": "Fe", "site": "ads0", "depth": 2.3644024663139214, "conv1": -0.00346735, "conv2": -2.88477e-05, "en1": -339.44021628, "en2": -339.12673033, "defecttype": "adsorbate", "extension_factor": 0.9785451026637512, "supercell": 441, "dopant_chemical_potential": -8.24112909, "eform": 4.338038520000039, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 2, "converged": true}


unique_id: 6d5982b35ad56a891ffd30f4e9966a0c
username: fafb
key_value_pairs:
  {"name": "O2Ti_Dy_ads0", "host": "TiO2", "dopant": "Dy", "site": "ads0", "depth": 2.780906620026369, "conv1": 0.0115862, "conv2": -0.00871654, "en1": -427.46600711, "en2": -427.61569086, "defecttype": "adsorbate", "extension_factor": 0.9161555260627824, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -423.6449519, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 3f0baae5b6092b3c0d48f784233d2caa
username: fafb
key_value_pairs:
  {"name": "MoSSe_Hf_ads4", "host": "MoSSe", "dopant": "Hf", "site": "ads4", "depth": -2.0449816778262164, "conv1": -0.00422243, "conv2": -6.37629e-05, "en1": -340.6947889, "en2": -340.68060084, "defecttype": "adsorbate", "extension_factor": 0.9151570060401396, "supercell": 441, "dopant_chemical_potential": -9.92359994, "eform": 4.466638860000017, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 2, "converged": true}


unique_id: 90adeec4609be32e98ca3381e3b15559
username: fafb
key_value_pairs:
  {"name": "Pd2Se4_F_ads1", "host": "Pd2Se4", "dopant": "F", "site": "ads1", "depth": 2.368108735064133, "conv1": -0.00204704, "conv2": -0.00012941, "en1": -107.05107017, "en2": -107.06847902, "defecttype": "adsorbate", "extension_factor": 1.09113046089195, "supercell": 221, "dopant_chemical_potential": -1.8299670325, "eform": -0.9381808774999962, "hostenergy": -104.30033111, "host_spacegroup": 14, "spin": 1, "converged": true}


unique_id: 1eb1d2221c158c5e1d54a9733159eb4f
username: fafb
key_value_pairs:
  {"name": "MoSSe_Sr_ads2", "host": "MoSSe", "dopant": "Sr", "site": "ads2", "depth": 2.393986773912162, "conv1": -0.00404549, "conv2": -8.330809999999999e-05, "en1": -336.50057941, "en2": -336.50592618, "defecttype": "adsorbate", "extension_factor": 0.9814421913752224, "supercell": 441, "dopant_chemical_potential": -1.6408387475, "eform": 0.3585523275000086, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 0, "converged": true}


unique_id: 3c734270b4598c4576363630cd008868
username: fafb
key_value_pairs:
  {"name": "O2Ti_Sn_int1", "host": "TiO2", "dopant": "Sn", "site": "int1", "depth": -1.8369956428849843, "conv1": -0.0332774999999999, "conv2": -0.00156401, "en1": -422.55758785, "en2": -422.7146423, "defecttype": "adsorbate", "extension_factor": 1.9762734663228088, "supercell": 441, "dopant_chemical_potential": -3.846099155, "eform": 4.776408755000044, "hostenergy": -423.6449519, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: 80fe9fa296e1e6b102065b79a4abee64
username: fafb
key_value_pairs:
  {"name": "Re4S8_Sr_ads2", "host": "Re4S8", "dopant": "Sr", "site": "ads2", "depth": 1.9300759298007966, "conv1": -0.00263705, "conv2": -0.0455609, "en1": -359.18391710000003, "en2": -359.24601159, "defecttype": "adsorbate", "extension_factor": 0.8933478901063192, "supercell": 221, "dopant_chemical_potential": -1.6408387475, "eform": -0.1617041725000076, "hostenergy": -357.44346867, "host_spacegroup": 2, "spin": 0, "converged": true}


unique_id: c61f4c9ee86e10e208a21fb3af20255e
username: fafb
key_value_pairs:
  {"name": "PtSe2_Pr_ads1", "host": "PtSe2", "dopant": "Pr", "site": "ads1", "depth": 2.4443056962512433, "conv1": -0.00148547, "conv2": 0.00253656, "en1": -132.52564616, "en2": -132.59837545, "defecttype": "adsorbate", "extension_factor": 0.8750889097658143, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -129.55757285, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 37638eadb6b1decdd4c58f2e6547212e
username: fafb
key_value_pairs:
  {"name": "MoSSe_W_ads5", "host": "MoSSe", "dopant": "W", "site": "ads5", "depth": -2.173397486160755, "conv1": -0.00339223, "conv2": -1.1874e-05, "en1": -340.82336131, "en2": -340.81020617, "defecttype": "adsorbate", "extension_factor": 0.9589095910848384, "supercell": 441, "dopant_chemical_potential": -12.932701305, "eform": 7.346134895000012, "hostenergy": -335.22363976, "host_spacegroup": 156, "spin": 6, "converged": true}


unique_id: 333131d72db913a540f0fa13730f2b5a
username: fafb
key_value_pairs:
  {"name": "O2Ti_C_ads1", "host": "TiO2", "dopant": "C", "site": "ads1", "depth": 1.6943495625143186, "conv1": -0.0202717, "conv2": 0.00404339, "en1": -425.76707131, "en2": -426.11485562, "defecttype": "adsorbate", "extension_factor": 0.9471430917846904, "supercell": 441, "dopant_chemical_potential": -9.2282470075, "eform": 6.75834328750001, "hostenergy": -423.6449519, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: f51bdcbc02b621d47e5a6f776ac1fe3b
username: fafb
key_value_pairs:
  {"name": "P4_Li_ads0", "host": "P4", "dopant": "Li", "site": "ads0", "depth": 3.159317367742198, "conv1": -0.00246825, "conv2": -0.000299326, "en1": -343.49391214, "en2": -343.51833058, "defecttype": "adsorbate", "extension_factor": 1.0006176101868778, "supercell": 441, "dopant_chemical_potential": -1.90645214, "eform": 0.3385710700000015, "hostenergy": -341.95044951, "host_spacegroup": 53, "spin": 1, "converged": true}


unique_id: 44661d151949eebfc1428a9f7e469970
username: fafb
key_value_pairs:
  {"name": "Re4S8_Cd_int0", "host": "Re4S8", "dopant": "Cd", "site": "int0", "depth": -0.17235738097370426, "conv1": -1.21425, "conv2": -0.269395, "en1": -309.27196363, "en2": -313.91528634, "defecttype": "interstitial", "extension_factor": 2.7841496805219634, "supercell": 221, "dopant_chemical_potential": -0.76510757, "eform": 44.29328989999999, "hostenergy": -357.44346867, "host_spacegroup": 2, "spin": -4, "converged": false}


unique_id: b7c992a7bb67582e7edcf7300fd537d7
username: fafb
key_value_pairs:
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unique_id: 5e1d3a394bb51df3011c2c52e28b7da7
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unique_id: a3e84a1568c88422ecbeb4e8af18277c
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unique_id: c0fb3f5c577d359c4682531dc0a702bb
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unique_id: eaaa00d8d9669a71779cabf1338f3c04
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unique_id: f94ec75931d7b683a24bb0fa16c4b861
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unique_id: 9e14a1c8a5e02fa8842639bcc3d64049
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unique_id: dd9a7487e9f1d8b5c00e7e5071e72ee0
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unique_id: 428ae6248b2567a4f271d36d0d86b34c
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unique_id: 4a63d3bdc879aadf4c106c1e480689be
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unique_id: b7be330677a486a648b1395b9d740ba1
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unique_id: 3eb3324fc26105e979a87ace39d8a91c
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unique_id: ad85f4480524c245dc9a400ec910d780
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unique_id: 139c4d410a7a167d3ced4eac7f26469e
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unique_id: 663b21ed90146c95ccc506608e38c3f8
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