# systems

unique_id: 9d7fe9d2db773c4c5f93b9f49d2d993a
username: fafb
key_value_pairs:
  {"name": "HfSe2_Sn_ads1", "host": "HfSe2", "dopant": "Sn", "site": "ads1", "depth": 1.937694292663998, "conv1": -0.0127643, "conv2": -0.00130036, "en1": -188.93383901, "en2": -188.8154945, "defecttype": "adsorbate", "extension_factor": 1.0064652828588394, "supercell": 331, "dopant_chemical_potential": -3.846099155, "eform": 1.2388018350000136, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 3ce07ea7da3284047a37104234cf3973
username: fafb
key_value_pairs:
  {"name": "I2Pb_Mg_ads2", "host": "PbI2", "dopant": "Mg", "site": "ads2", "depth": 1.228472218281214, "conv1": -0.032536, "conv2": 0.717801, "en1": -81.42903574, "en2": -80.9811417, "defecttype": "adsorbate", "extension_factor": 0.9830935956227568, "supercell": 331, "dopant_chemical_potential": -1.502700195, "eform": -2.0044471749999984, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: 393afb2832b2b2d66abd23558de97a44
username: fafb
key_value_pairs:
  {"name": "I2Pb_Hf_int2", "host": "PbI2", "dopant": "Hf", "site": "int2", "depth": 0.4787908954426834, "conv1": -0.4939939999999999, "conv2": 0.0659222, "en1": -87.03670671, "en2": -87.29969294, "defecttype": "interstitial", "extension_factor": 1.0696201835177626, "supercell": 331, "dopant_chemical_potential": -9.92359994, "eform": 0.0979013299999973, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: d9957768dfae4b775dcbe4b3922f979e
username: fafb
key_value_pairs:
  {"name": "Ge2_Re_ads1", "host": "Ge2", "dopant": "Re", "site": "ads1", "depth": 2.8968550538302167, "conv1": 0.0137926, "conv2": -0.0531524, "en1": -76.37385604, "en2": -76.85743142, "defecttype": "adsorbate", "extension_factor": 0.8029933485630392, "supercell": 331, "dopant_chemical_potential": -12.42760037, "eform": 3.5264127000000016, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 6c097d7df2eb73b0e41e47e0a6bde2f4
username: fafb
key_value_pairs:
  {"name": "HfSe2_Dy_int0", "host": "HfSe2", "dopant": "Dy", "site": "int0", "depth": 3.590690297750346e-05, "conv1": -0.0045472, "conv2": -0.00767196, "en1": -188.89507809, "en2": -188.95735537, "defecttype": "interstitial", "extension_factor": 1.4457423537147105, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: a4dd4258b7b1c27d0041991798a31719
username: fafb
key_value_pairs:
  {"name": "CO2V2_In_int0", "host": "V2CO2", "dopant": "In", "site": "int0", "depth": -0.01914683899027602, "conv1": -6.16933, "conv2": 2.06812, "en1": -718.60071296, "en2": -711.31366719, "defecttype": "interstitial", "extension_factor": 1.5218096810913782, "supercell": 441, "dopant_chemical_potential": -2.5362335, "eform": 2.501874839999933, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": -3, "converged": false}


unique_id: c2bae7b62735afbb3825f4ff633c3107
username: fafb
key_value_pairs:
  {"name": "Ge2_Br_int1", "host": "Ge2", "dopant": "Br", "site": "int1", "depth": -0.14963108157331445, "conv1": -0.0055425, "conv2": 0.0564251999999999, "en1": -67.68647607, "en2": -67.69944874, "defecttype": "interstitial", "extension_factor": 2.1902213054104727, "supercell": 331, "dopant_chemical_potential": -1.64240752625, "eform": 1.899202536250005, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 2735e4491e637d8fa5b28b092f5005c2
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Nd_ads2", "host": "Hf2Te6", "dopant": "Nd", "site": "ads2", "depth": 1.8449277205235866, "conv1": 0.00328005, "conv2": -0.00232363, "en1": -392.18241188, "en2": -392.1667689, "defecttype": "adsorbate", "extension_factor": 0.9656378874452438, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 2, "converged": true}


unique_id: c43a9679bd13a8d3e6ecb024c4463cfd
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Tm_ads1", "host": "Hf2Te6", "dopant": "Tm", "site": "ads1", "depth": 1.7799518911162695, "conv1": -0.0422006999999999, "conv2": -0.00876448, "en1": -392.26676904, "en2": -392.38158193, "defecttype": "adsorbate", "extension_factor": 1.0008741386408524, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 1, "converged": true}


unique_id: 3c4ed1ce46abcebc34810dabe24acc71
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Mo_int0", "host": "Ge2H2", "dopant": "Mo", "site": "int0", "depth": -1.5679614142286569, "conv1": -0.22908, "conv2": -0.00447531, "en1": -133.85668259, "en2": -134.17420459, "defecttype": "adsorbate", "extension_factor": 1.5711702456892331, "supercell": 331, "dopant_chemical_potential": -10.90733766, "eform": 12.052768830000026, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 8, "converged": false}


unique_id: 4403b81c2a365eff5f0cfd9d6e1e52d7
username: fafb
key_value_pairs:
  {"name": "HfS2_Se_ads0", "host": "HfS2", "dopant": "Se", "site": "ads0", "depth": 2.4966287224417276, "conv1": -0.00160811, "conv2": -1.97615e-05, "en1": -206.453359, "en2": -206.47632108, "defecttype": "adsorbate", "extension_factor": 0.9700715878989764, "supercell": 331, "dopant_chemical_potential": -3.5038482133333333, "eform": 1.6241714833333334, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: 134dc713e283bd9cf55d4813aa1e8760
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Pb_ads1", "host": "Hf2Te6", "dopant": "Pb", "site": "ads1", "depth": 1.6506501362131965, "conv1": 1.276, "conv2": -0.540625, "en1": -397.14807429, "en2": -396.91093688, "defecttype": "adsorbate", "extension_factor": 1.0203999009588864, "supercell": 331, "dopant_chemical_potential": -3.554778985, "eform": -3.084048925000032, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": -1, "converged": false}


unique_id: cea420a7636db5c804ae4624407048b0
username: fafb
key_value_pairs:
  {"name": "H2Ge2_V_ads0", "host": "Ge2H2", "dopant": "V", "site": "ads0", "depth": 1.9998344925839346, "conv1": -0.00227458, "conv2": -0.1296759999999999, "en1": -139.46813471, "en2": -139.59804704, "defecttype": "adsorbate", "extension_factor": 0.9976930535988092, "supercell": 331, "dopant_chemical_potential": -8.99443121, "eform": 4.71601993, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 4, "converged": true}


unique_id: 7a4d736340ad4a486f751fe0c18c45d2
username: fafb
key_value_pairs:
  {"name": "I2Pb_Be_int1", "host": "PbI2", "dopant": "Be", "site": "int1", "depth": -0.43150249177769523, "conv1": 0.8606440000000001, "conv2": 0.062927, "en1": -79.2329115, "en2": -79.49416988, "defecttype": "interstitial", "extension_factor": 1.2286029496764197, "supercell": 331, "dopant_chemical_potential": -3.758531975, "eform": 1.7383564249999952, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: 75c0d7f398357904a78dadc00d8b6ffd
username: fafb
key_value_pairs:
  {"name": "CO2V2_Dy_ads1", "host": "V2CO2", "dopant": "Dy", "site": "ads1", "depth": 1.638556983268748, "conv1": 0.0371810999999999, "conv2": -0.00573916, "en1": -661.90019903, "en2": -719.63204966, "defecttype": "adsorbate", "extension_factor": 0.9018420015986306, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": -1, "converged": true}


unique_id: 97fd8a408e8facadc14819fcf78a5535
username: fafb
key_value_pairs:
  {"name": "I2Pb_Ta_ads0", "host": "PbI2", "dopant": "Ta", "site": "ads0", "depth": 2.2950958793132994, "conv1": -0.0324964, "conv2": -0.672307, "en1": -82.59575134, "en2": -83.71779748, "defecttype": "adsorbate", "extension_factor": 0.97810422652519, "supercell": 331, "dopant_chemical_potential": -11.81970551, "eform": 5.575902359999995, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: ccded7d331dd7236e62855676d88e65a
username: fafb
key_value_pairs:
  {"name": "CO2V2_V_ads1", "host": "V2CO2", "dopant": "V", "site": "ads1", "depth": 0.7814771285561449, "conv1": 1.5925299999999998e-05, "conv2": -0.000583815, "en1": -719.83583197, "en2": -719.82624444, "defecttype": "interstitial", "extension_factor": 0.880474713191746, "supercell": 441, "dopant_chemical_potential": -8.99443121, "eform": 0.4474952999999981, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": -3, "converged": true}


unique_id: e93dfcfc639a8a86dd7d76637d3b034e
username: fafb
key_value_pairs:
  {"name": "HfSe2_K_ads0", "host": "HfSe2", "dopant": "K", "site": "ads0", "depth": 2.835860051549365, "conv1": -0.00329818, "conv2": 1.3734e-05, "en1": -188.32611114, "en2": -188.34261025, "defecttype": "adsorbate", "extension_factor": 0.9576763873735552, "supercell": 331, "dopant_chemical_potential": -1.04398594, "eform": -1.0904271299999937, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 648b0e9c90046c472254f2e92b3c2c8f
username: fafb
key_value_pairs:
  {"name": "Cr2I6_C_int1", "host": "Cr2I6", "dopant": "C", "site": "int1", "depth": -0.0006449623298903649, "conv1": -0.00386187, "conv2": -0.0104213, "en1": -130.48180443, "en2": -130.29542431, "defecttype": "interstitial", "extension_factor": 1.1763433316455858, "supercell": 221, "dopant_chemical_potential": -9.2282470075, "eform": 5.423014427500019, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 22, "converged": true}


unique_id: 3f4feb27375c36ff12bb12251930aab4
username: fafb
key_value_pairs:
  {"name": "I2Pb_Cr_int2", "host": "PbI2", "dopant": "Cr", "site": "int2", "depth": 0.5175163200774643, "conv1": -0.451024, "conv2": -0.298673, "en1": -86.6140396, "en2": -86.96728622, "defecttype": "interstitial", "extension_factor": 1.0287922473236628, "supercell": 331, "dopant_chemical_potential": -9.512811205, "eform": 0.0195193149999912, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 2, "converged": false}


unique_id: 4404156874e0cf828891b7297840a7e3
username: fafb
key_value_pairs:
  {"name": "HfS2_Li_int0", "host": "HfS2", "dopant": "Li", "site": "int0", "depth": -3.2192481210003282e-06, "conv1": -0.0044354, "conv2": -0.00010165, "en1": -203.73135597, "en2": -203.7638867, "defecttype": "interstitial", "extension_factor": 1.2361193138365203, "supercell": 331, "dopant_chemical_potential": -1.90645214, "eform": 2.7392097899999905, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: c4f2e033469b6e1a92c26b862e0759bd
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Mn_ads2", "host": "Hf2Te6", "dopant": "Mn", "site": "ads2", "depth": 1.781657937649618, "conv1": -0.00385485, "conv2": 0.00102682, "en1": -395.95402781, "en2": -395.9797394, "defecttype": "adsorbate", "extension_factor": 0.9963413722224264, "supercell": 331, "dopant_chemical_potential": -8.9133661725, "eform": 3.2057357424999484, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 5, "converged": true}


unique_id: 45eaba8e99c9376dc7916c891d0ca0d2
username: fafb
key_value_pairs:
  {"name": "I2Pb_Co_ads2", "host": "PbI2", "dopant": "Co", "site": "ads2", "depth": 0.8860691490830346, "conv1": -0.258743, "conv2": 0.2355, "en1": -83.62107776, "en2": -83.84799945, "defecttype": "interstitial", "extension_factor": 1.0481111572810171, "supercell": 331, "dopant_chemical_potential": -7.035318725, "eform": 0.6613136049999929, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 3, "converged": false}


unique_id: e16b9afc1501aad79c1f6ae1d4b4a2ac
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Os_ads1", "host": "Hf2Te6", "dopant": "Os", "site": "ads1", "depth": 1.4518275824291773, "conv1": 0.00206613, "conv2": 0.00462056, "en1": -395.55906722, "en2": -395.54344979, "defecttype": "adsorbate", "extension_factor": 0.9663909441621152, "supercell": 331, "dopant_chemical_potential": -11.25578988, "eform": 5.984449059999966, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 0, "converged": true}


unique_id: 855e4bc609901ce60547e5b0092bf2ec
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Ti_ads2", "host": "Hf2Te6", "dopant": "Ti", "site": "ads2", "depth": 1.77600046456595, "conv1": -0.00496197, "conv2": -0.0007427719999999, "en1": -394.08679547, "en2": -394.0869561, "defecttype": "adsorbate", "extension_factor": 0.9749686044594073, "supercell": 331, "dopant_chemical_potential": -7.834724325, "eform": 4.019877194999967, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": -4, "converged": true}


unique_id: 58c16cb07cb815079709e509d2994c6b
username: fafb
key_value_pairs:
  {"name": "CO2V2_Bi_int1", "host": "V2CO2", "dopant": "Bi", "site": "int1", "depth": 0.25893024298046463, "conv1": -0.149024, "conv2": -0.162191, "en1": -684.590063, "en2": -689.3441662, "defecttype": "interstitial", "extension_factor": 23.232362186238475, "supercell": 441, "dopant_chemical_potential": -3.8828783716666666, "eform": 25.818020701666622, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": -4, "converged": false}


unique_id: 8a971579000e8611146821331279478b
username: fafb
key_value_pairs:
  {"name": "HfS2_Pr_int0", "host": "HfS2", "dopant": "Pr", "site": "int0", "depth": -0.08531689548120526, "conv1": -0.00422514, "conv2": -0.00284488, "en1": -205.19717356, "en2": -205.2011396, "defecttype": "interstitial", "extension_factor": 1.5482456599993475, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: debd247591e134a8df605b955e57a527
username: fafb
key_value_pairs:
  {"name": "HfSe2_V_int0", "host": "HfSe2", "dopant": "V", "site": "int0", "depth": -0.00027277324234376796, "conv1": -0.0135531, "conv2": 0.000262618, "en1": -191.94289101, "en2": -192.09375364, "defecttype": "interstitial", "extension_factor": 1.2991520240611931, "supercell": 331, "dopant_chemical_potential": -8.99443121, "eform": 3.108874750000025, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: f6f64e458cf1513ce19d016df2a6a492
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Pb_int1", "host": "Ge2H2", "dopant": "Pb", "site": "int1", "depth": 1.534382153471055, "conv1": -0.020308, "conv2": -8.989020000000001e-05, "en1": -130.22280342, "en2": -130.41913596, "defecttype": "adsorbate", "extension_factor": 1.5545073191572614, "supercell": 331, "dopant_chemical_potential": -3.554778985, "eform": 8.455278785000006, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 4, "converged": true}


unique_id: faef7c7af949789d4de25c257d4ff3c9
username: fafb
key_value_pairs:
  {"name": "I2Pb_Cs_int0", "host": "PbI2", "dopant": "Cs", "site": "int0", "depth": 0.07421863308802135, "conv1": -0.632358, "conv2": -0.975449, "en1": -78.73259515, "en2": -78.67894488, "defecttype": "interstitial", "extension_factor": 1.4643953437700576, "supercell": 331, "dopant_chemical_potential": -0.847900625, "eform": -0.3570499250000066, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: 8f81cb170643d3dd290acaf0574c9db7
username: fafb
key_value_pairs:
  {"name": "HfSe2_Ca_ads0", "host": "HfSe2", "dopant": "Ca", "site": "ads0", "depth": 2.6007114507006626, "conv1": -0.00401581, "conv2": -0.00363351, "en1": -187.58067678, "en2": -187.60232978, "defecttype": "adsorbate", "extension_factor": 0.9473066626903336, "supercell": 331, "dopant_chemical_potential": -1.9296010675, "eform": 0.5354684675000223, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: ec26c80057724a0b851422d5032e98c0
username: fafb
key_value_pairs:
  {"name": "H2Ge2_S_ads1", "host": "Ge2H2", "dopant": "S", "site": "ads1", "depth": 1.2033653604812822, "conv1": -0.00135563, "conv2": -0.0331837, "en1": -137.08999143, "en2": -137.25072516, "defecttype": "adsorbate", "extension_factor": 1.0946906944650991, "supercell": 331, "dopant_chemical_potential": -3.50545684, "eform": 1.5743674400000094, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 5802be7638797a2c76c13bdd0797adc7
username: fafb
key_value_pairs:
  {"name": "Ge2_Sr_ads2", "host": "Ge2", "dopant": "Sr", "site": "ads2", "depth": 5.371207996740407, "conv1": 0.00067448, "conv2": -0.00300807, "en1": -70.90486042, "en2": -70.8919194, "defecttype": "adsorbate", "extension_factor": 0.9141376834815572, "supercell": 331, "dopant_chemical_potential": -1.6408387475, "eform": -1.2948369025000075, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: fa0f7109b8f037c6c94e240f3662a709
username: fafb
key_value_pairs:
  {"name": "CO2V2_Sm_ads1", "host": "V2CO2", "dopant": "Sm", "site": "ads1", "depth": 2.6557240542762917, "conv1": 0.0185028, "conv2": -0.0001506539999999, "en1": -719.35683372, "en2": -719.34707734, "defecttype": "adsorbate", "extension_factor": 0.8768254049659023, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: f54bae8d59a8a385d32fe34a1384c407
username: fafb
key_value_pairs:
  {"name": "CO2V2_S_ads0", "host": "V2CO2", "dopant": "S", "site": "ads0", "depth": 1.707783855294038, "conv1": -0.00210617, "conv2": -7.62994e-05, "en1": -713.71228428, "en2": -713.69918342, "defecttype": "adsorbate", "extension_factor": 0.9983536964021288, "supercell": 441, "dopant_chemical_potential": -3.50545684, "eform": 1.0855819499999262, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 91c879dbee75b93c76819d86b747936c
username: fafb
key_value_pairs:
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