# systems

unique_id: 37217ccbbe805e6def867f4deeee6019
username: fafb
key_value_pairs:
  {"name": "Ge2_Sc_ads1", "host": "Ge2", "dopant": "Sc", "site": "ads1", "depth": 4.079417159522474, "conv1": -0.0268812, "conv2": 0.00859776, "en1": -73.91861984, "en2": -73.91239644, "defecttype": "adsorbate", "extension_factor": 0.8581614086166166, "supercell": 331, "dopant_chemical_potential": -6.249091255, "eform": 0.2929385650000036, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 61501b2d29a76c288f68cf20c1f8d823
username: fafb
key_value_pairs:
  {"name": "I2Pb_Si_int1", "host": "PbI2", "dopant": "Si", "site": "int1", "depth": -0.4964126712806707, "conv1": 0.319181, "conv2": -0.0812917, "en1": -77.73377584, "en2": -80.8514182, "defecttype": "interstitial", "extension_factor": 1.9134119994423648, "supercell": 331, "dopant_chemical_potential": -5.420370725, "eform": 2.0429468549999985, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: 66ca584f6f2ef7af83746be6d32aae02
username: fafb
key_value_pairs:
  {"name": "I2Pb_La_ads2", "host": "PbI2", "dopant": "La", "site": "ads2", "depth": 1.7472035636764134, "conv1": 0.19459, "conv2": -0.882857, "en1": -86.14093093, "en2": -88.04503270000001, "defecttype": "adsorbate", "extension_factor": 0.953761838362802, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: 2e1848b7e3fb99cf7896f85b0912426a
username: fafb
key_value_pairs:
  {"name": "HfSe2_Ir_ads2", "host": "HfSe2", "dopant": "Ir", "site": "ads2", "depth": 1.8439087989410683, "conv1": -0.00819768, "conv2": 1.40645, "en1": -190.3133418, "en2": -57.29404833, "defecttype": "adsorbate", "extension_factor": 1.0100542259855942, "supercell": 331, "dopant_chemical_potential": -8.8569808225, "eform": 137.7711296725, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 1f8355deb6efa1164cdbde979465d002
username: fafb
key_value_pairs:
  {"name": "Cr2I6_S_int0", "host": "Cr2I6", "dopant": "S", "site": "int0", "depth": -0.031086826732215616, "conv1": -0.00350105, "conv2": 3.3313e-07, "en1": -127.44157558, "en2": -127.44646448, "defecttype": "interstitial", "extension_factor": 1.9837966800217075, "supercell": 221, "dopant_chemical_potential": -3.50545684, "eform": 2.549184090000004, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 22, "converged": true}


unique_id: 6494f972047b51f08493abd45a4f5f15
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Ga_int2", "host": "Hf2Te6", "dopant": "Ga", "site": "int2", "depth": -0.2924679547517756, "conv1": 0.0118506, "conv2": 0.0311165, "en1": -387.30348846, "en2": -387.68157986, "defecttype": "interstitial", "extension_factor": 1.4689941792419092, "supercell": 331, "dopant_chemical_potential": -2.92144759375, "eform": 5.511976703749976, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 3, "converged": true}


unique_id: 675ddd5e461dc259a7d77c1cefd3216b
username: fafb
key_value_pairs:
  {"name": "CO2V2_Ge_int0", "host": "V2CO2", "dopant": "Ge", "site": "int0", "depth": 0.07451281502098478, "conv1": -0.0309529999999999, "conv2": -7.04499e-05, "en1": -708.57661152, "en2": -708.83283856, "defecttype": "interstitial", "extension_factor": 1.3675219182760834, "supercell": 441, "dopant_chemical_potential": -4.507869405, "eform": 6.954339374999952, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 6, "converged": true}


unique_id: a6d9c2b6c933f2bb2214c7f5fa625afb
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Lu_ads2", "host": "Ge2H2", "dopant": "Lu", "site": "ads2", "depth": 0.8421327246795209, "conv1": -0.00118236, "conv2": -0.000328738, "en1": -138.65525302, "en2": -138.66591393, "defecttype": "interstitial", "extension_factor": 0.8760437754860069, "supercell": 331, "dopant_chemical_potential": -4.452474715, "eform": 1.1061965450000235, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 25091b33b761ca7a89a870ef6cda645a
username: fafb
key_value_pairs:
  {"name": "CO2V2_Mg_int1", "host": "V2CO2", "dopant": "Mg", "site": "int1", "depth": 0.6008134239254621, "conv1": -0.0281622, "conv2": 0.0105229, "en1": -706.01388726, "en2": -706.05811869, "defecttype": "interstitial", "extension_factor": 1.1460627484024788, "supercell": 441, "dopant_chemical_potential": -1.502700195, "eform": 6.7238900349999655, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: bfcf0580eeb2b90063e7a8092b7c885e
username: fafb
key_value_pairs:
  {"name": "CO2V2_Hf_ads1", "host": "V2CO2", "dopant": "Hf", "site": "ads1", "depth": 2.684275185648392, "conv1": -0.00628601, "conv2": 0.00406546, "en1": -681.90176673, "en2": -715.99509202, "defecttype": "adsorbate", "extension_factor": 1.2361221537298, "supercell": 441, "dopant_chemical_potential": -9.92359994, "eform": 5.2078164499999655, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 94ca290c105f0fa5435974859f6403b0
username: fafb
key_value_pairs:
  {"name": "Ge2_Au_ads0", "host": "Ge2", "dopant": "Au", "site": "ads0", "depth": 7.08148955426064, "conv1": -0.00201855, "conv2": 0.0037110999999999, "en1": -70.31593586, "en2": -70.32536845, "defecttype": "adsorbate", "extension_factor": 0.9689564552407368, "supercell": 331, "dopant_chemical_potential": -3.2074311425, "eform": 0.8383064424999995, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: bbb89c5f611f6761711cb13318903f23
username: fafb
key_value_pairs:
  {"name": "HfS2_Nd_int2", "host": "HfS2", "dopant": "Nd", "site": "int2", "depth": 1.5077816098853265, "conv1": -0.00437095, "conv2": -0.000779341, "en1": -210.35504469, "en2": -210.35143181, "defecttype": "adsorbate", "extension_factor": 1.5079823227335345, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: a8cb239de7bf956019c1411eb97ba7de
username: fafb
key_value_pairs:
  {"name": "Ge2_P_ads0", "host": "Ge2", "dopant": "P", "site": "ads0", "depth": 6.451906910726301, "conv1": -0.00285741, "conv2": 0.000990513, "en1": -71.62087479, "en2": -71.67026825, "defecttype": "adsorbate", "extension_factor": 1.0443913671411322, "supercell": 331, "dopant_chemical_potential": -5.37555892, "eform": 1.6615344199999915, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 5, "converged": true}


unique_id: b84178c4bed32a9aadc7d9848ae2c596
username: fafb
key_value_pairs:
  {"name": "I2Pb_H_int0", "host": "PbI2", "dopant": "H", "site": "int0", "depth": 0.005758982860289946, "conv1": 0.258123, "conv2": 0.168749, "en1": -80.12459109, "en2": -80.19953188, "defecttype": "interstitial", "extension_factor": 1.0294562855348344, "supercell": 331, "dopant_chemical_potential": -3.3953663975, "eform": 0.6698288475000016, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: 8f26a0cf1f40e7877c3821cd551cc493
username: fafb
key_value_pairs:
  {"name": "Ge2_Tc_ads0", "host": "Ge2", "dopant": "Tc", "site": "ads0", "depth": 7.171727578267388, "conv1": -0.0193957, "conv2": -0.00168128, "en1": -73.48965492, "en2": -73.47999414, "defecttype": "adsorbate", "extension_factor": 0.9408433752868656, "supercell": 331, "dopant_chemical_potential": -10.341723195, "eform": 4.817972804999997, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 5, "converged": true}


unique_id: 75e5b4b3bc9bb6a9b2ca6558d4f10688
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Li_int0", "host": "Ge2H2", "dopant": "Li", "site": "int0", "depth": -0.5519341407646714, "conv1": -5.29742, "conv2": -3.62225, "en1": -47.37917959, "en2": -49.98807002, "defecttype": "interstitial", "extension_factor": 1.0218736891593028, "supercell": 331, "dopant_chemical_potential": -1.90645214, "eform": 87.23801788, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: bf25a485af2b74b1c56c1dbfc96dc2ad
username: fafb
key_value_pairs:
  {"name": "CO2V2_Yb_int1", "host": "V2CO2", "dopant": "Yb", "site": "int1", "depth": 0.5952234134545914, "conv1": 0.258849, "conv2": -0.154417, "en1": -596.42269048, "en2": -612.33868377, "defecttype": "interstitial", "extension_factor": 3.995551982544283, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 23, "converged": false}


unique_id: cae008fe89d341cf19e0b7ff873289d6
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Ca_int5", "host": "Hf2Te6", "dopant": "Ca", "site": "int5", "depth": 0.8661354903689248, "conv1": -0.00268956, "conv2": -8.91596e-06, "en1": -392.02384572, "en2": -392.07627368, "defecttype": "adsorbate", "extension_factor": 1.0571525763096286, "supercell": 331, "dopant_chemical_potential": -1.9296010675, "eform": 0.1254363574999908, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 2, "converged": true}


unique_id: b24b86e9bdd5b888ffb5f21b75741b58
username: fafb
key_value_pairs:
  {"name": "HfSe2_Cl_int1", "host": "HfSe2", "dopant": "Cl", "site": "int1", "depth": 0.030513967866504385, "conv1": -0.267754, "conv2": -0.000387915, "en1": -181.77539871, "en2": -182.5558514, "defecttype": "interstitial", "extension_factor": 2.565453028056788, "supercell": 331, "dopant_chemical_potential": -1.84984151, "eform": 5.502187290000019, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 3, "converged": false}


unique_id: 233faf38ac5808af1f57ab7e52e132ec
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Pr_int0", "host": "Ge2H2", "dopant": "Pr", "site": "int0", "depth": -1.9924450002877314, "conv1": -0.1262319999999999, "conv2": -0.0214839, "en1": -127.40768286, "en2": -127.52403299, "defecttype": "adsorbate", "extension_factor": 3.012295322732097, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 5, "converged": false}


unique_id: 57255dd5fe07f1211dccfb6bba467afc
username: fafb
key_value_pairs:
  {"name": "CO2V2_C_ads1", "host": "V2CO2", "dopant": "C", "site": "ads1", "depth": 0.4077117934454956, "conv1": -0.00417077, "conv2": -0.482229, "en1": -717.16082802, "en2": -715.81614163, "defecttype": "interstitial", "extension_factor": 0.983462035936114, "supercell": 441, "dopant_chemical_potential": -9.2282470075, "eform": 4.691413907500033, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: 4e669a5e6e5e3c31e785c4e63fe63b1f
username: fafb
key_value_pairs:
  {"name": "CO2V2_Be_ads2", "host": "V2CO2", "dopant": "Be", "site": "ads2", "depth": 1.2170182137123957, "conv1": -0.00326888, "conv2": -5.82845e-05, "en1": -717.11455038, "en2": -717.10401854, "defecttype": "adsorbate", "extension_factor": 0.9482527737015252, "supercell": 441, "dopant_chemical_potential": -3.758531975, "eform": -2.06617803499999, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: 1858f36364cd77ca9ea0f982a6b7aa1c
username: fafb
key_value_pairs:
  {"name": "H2Ge2_C_ads0", "host": "Ge2H2", "dopant": "C", "site": "ads0", "depth": 1.6475271877819695, "conv1": -0.00259435, "conv2": 0.0001959609999999, "en1": -137.92448445, "en2": -137.9395009, "defecttype": "adsorbate", "extension_factor": 1.0213813021643303, "supercell": 331, "dopant_chemical_potential": -9.2282470075, "eform": 6.608381867499999, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 66b5980471ff3fab7e866a59b5e23681
username: fafb
key_value_pairs:
  {"name": "I2Pb_Gd_ads1", "host": "PbI2", "dopant": "Gd", "site": "ads1", "depth": 1.8667516501264445, "conv1": 0.371785, "conv2": 0.0642406, "en1": -81.47459242, "en2": -81.70141304, "defecttype": "adsorbate", "extension_factor": 0.9392516398393418, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: c0ae2353c971ac73195215eb9bf01a40
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_W_int1", "host": "Hf2Te6", "dopant": "W", "site": "int1", "depth": 0.354703110836931, "conv1": -0.00680455, "conv2": -0.000739292, "en1": -400.90192696, "en2": -400.93613265, "defecttype": "interstitial", "extension_factor": 1.1214549583389342, "supercell": 331, "dopant_chemical_potential": -12.932701305, "eform": 2.2686776249999863, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 0, "converged": true}


unique_id: 59a2009f76e918919d4b8eba53457ac2
username: fafb
key_value_pairs:
  {"name": "Ge2_As_ads1", "host": "Ge2", "dopant": "As", "site": "ads1", "depth": 4.74037521743734, "conv1": -0.00439937, "conv2": -0.00377218, "en1": -72.55995996, "en2": -72.59053906, "defecttype": "adsorbate", "extension_factor": 1.1212104146399555, "supercell": 331, "dopant_chemical_potential": -4.681127165, "eform": 0.0468318550000015, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: e604e68c4f192a0febc352cff438733f
username: fafb
key_value_pairs:
  {"name": "CO2V2_Al_ads2", "host": "V2CO2", "dopant": "Al", "site": "ads2", "depth": 1.4167537771800895, "conv1": -0.00389348, "conv2": -9.30157e-05, "en1": -716.47253088, "en2": -716.46694759, "defecttype": "adsorbate", "extension_factor": 0.9799073698951924, "supercell": 441, "dopant_chemical_potential": -3.7374191225, "eform": -1.4502199375000375, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: a94a7f838d145a8c7c938e3dc60c2277
username: fafb
key_value_pairs:
  {"name": "CO2V2_Pt_ads0", "host": "V2CO2", "dopant": "Pt", "site": "ads0", "depth": 1.8611830846998032, "conv1": -0.00394296, "conv2": 0.0341969, "en1": -713.42225357, "en2": -713.36971412, "defecttype": "adsorbate", "extension_factor": 0.9806412755180504, "supercell": 441, "dopant_chemical_potential": -6.1156370275, "eform": 4.025231437499953, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: fb3d90f4901260db52f3d6c2cd55eb4d
username: fafb
key_value_pairs:
  {"name": "I2Pb_Fe_ads2", "host": "PbI2", "dopant": "Fe", "site": "ads2", "depth": 1.074101529662069, "conv1": 0.34141, "conv2": 0.484518, "en1": -85.16194215, "en2": -85.00839123, "defecttype": "adsorbate", "extension_factor": 0.9857905199401448, "supercell": 331, "dopant_chemical_potential": -8.24112909, "eform": 0.706732189999995, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 4, "converged": false}


unique_id: 1b7e1006971e684a9bde1d6a70bf18ec
username: fafb
key_value_pairs:
  {"name": "I2Pb_Cd_int2", "host": "PbI2", "dopant": "Cd", "site": "int2", "depth": 0.5681471660939915, "conv1": 0.1393309999999999, "conv2": 0.482487, "en1": -79.19153314, "en2": -79.76783172, "defecttype": "interstitial", "extension_factor": 1.0478152236111078, "supercell": 331, "dopant_chemical_potential": -0.76510757, "eform": -1.5287298200000072, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: 54baf95cba7e0329e24a8a10d1577419
username: fafb
key_value_pairs:
  {"name": "I2Pb_Yb_ads2", "host": "PbI2", "dopant": "Yb", "site": "ads2", "depth": 1.711785041176672, "conv1": 0.0994434999999999, "conv2": 0.0663933999999999, "en1": -80.97342521, "en2": -81.41084234, "defecttype": "adsorbate", "extension_factor": 0.9559964710127296, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: b853c526e3ae0d422be6dcf462b6d227
username: fafb
key_value_pairs:
  {"name": "Cr2I6_Lu_ads1", "host": "Cr2I6", "dopant": "Lu", "site": "ads1", "depth": 1.6735855750914432, "conv1": -0.00224509, "conv2": -0.0235203, "en1": -130.17276419, "en2": -130.16417109999998, "defecttype": "adsorbate", "extension_factor": 0.8952332508830063, "supercell": 221, "dopant_chemical_potential": -4.452474715, "eform": 0.7784953450000023, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 27, "converged": true}


unique_id: 91094506a091408b2f29717c0592869d
username: fafb
key_value_pairs:
  {"name": "Cr2I6_Hg_int1", "host": "Cr2I6", "dopant": "Hg", "site": "int1", "depth": 0.0020816143570332075, "conv1": -0.0172335999999999, "conv2": -0.016049, "en1": -38.4897737, "en2": -122.69690174, "defecttype": "interstitial", "extension_factor": 1.3948261104215227, "supercell": 221, "dopant_chemical_potential": -0.183595435, "eform": 3.9768854250000047, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": -9, "converged": true}


unique_id: c6ef0f187a75d196f198c3e5f8422681
username: fafb
key_value_pairs:
  {"name": "Ge2_Co_ads0", "host": "Ge2", "dopant": "Co", "site": "ads0", "depth": 6.647186304790666, "conv1": -0.0021125999999999, "conv2": -0.00163066, "en1": -71.67475744, "en2": -71.73460181, "defecttype": "adsorbate", "extension_factor": 0.9703564788711904, "supercell": 331, "dopant_chemical_potential": -7.035318725, "eform": 3.2569606649999976, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: b9806c6696b759411a89414229e2a714
username: fafb
key_value_pairs:
  {"name": "HfSe2_Pr_ads1", "host": "HfSe2", "dopant": "Pr", "site": "ads1", "depth": 1.9632438111668675, "conv1": -0.0107146, "conv2": -0.00188729, "en1": -191.05063667, "en2": -191.89015413, "defecttype": "adsorbate", "extension_factor": 0.8401005928949725, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 21029296eac0732f6f482bef1a218cd2
username: fafb
key_value_pairs:
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