# systems

unique_id: afcc15cc410162d7908723ebf7aeb0e7
username: fafb
key_value_pairs:
  {"name": "CO2V2_Dy_int1", "host": "V2CO2", "dopant": "Dy", "site": "int1", "depth": -0.20469629814235732, "conv1": -0.24816, "conv2": -0.108856, "en1": -668.32223325, "en2": -669.94557811, "defecttype": "interstitial", "extension_factor": 5.982636248535497, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": -4, "converged": false}


unique_id: cc306602b839cd0e6660225f36d1f217
username: fafb
key_value_pairs:
  {"name": "HfS2_Sc_ads0", "host": "HfS2", "dopant": "Sc", "site": "ads0", "depth": 2.632723868863436, "conv1": -0.00221344, "conv2": -4.99814e-05, "en1": -208.42165761, "en2": -208.43995882, "defecttype": "adsorbate", "extension_factor": 0.9401538147877136, "supercell": 331, "dopant_chemical_potential": -6.249091255, "eform": 2.405776785000004, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: e0117b1e875535555886019eae53ff7c
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Pd_ads1", "host": "Hf2Te6", "dopant": "Pd", "site": "ads1", "depth": 1.4542102168087452, "conv1": -0.00399232, "conv2": -0.00415533, "en1": -394.08097035, "en2": -393.96492225, "defecttype": "adsorbate", "extension_factor": 0.9614399901774706, "supercell": 331, "dopant_chemical_potential": -5.223210975, "eform": 1.5303976950000042, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 0, "converged": true}


unique_id: f0eb97202c6753e71903e6b69c38a130
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Er_ads1", "host": "Hf2Te6", "dopant": "Er", "site": "ads1", "depth": 1.7150098670761387, "conv1": 0.177311, "conv2": 0.208111, "en1": -392.45863429, "en2": -392.44424269, "defecttype": "adsorbate", "extension_factor": 0.9812290570799258, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 2, "converged": false}


unique_id: 2f52ca9b6cf0c5ab35bcc47b338b84cf
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Re_int0", "host": "Hf2Te6", "dopant": "Re", "site": "int0", "depth": 0.35444559909848405, "conv1": -0.00364927, "conv2": -0.000921675, "en1": -400.69167296, "en2": -400.72551674, "defecttype": "interstitial", "extension_factor": 1.1126630989300077, "supercell": 331, "dopant_chemical_potential": -12.42760037, "eform": 1.974192599999988, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 1, "converged": true}


unique_id: 1581563b930632f1f5ab6ba10948a88e
username: fafb
key_value_pairs:
  {"name": "Ge2_C_ads0", "host": "Ge2", "dopant": "C", "site": "ads0", "depth": 5.218367185164194, "conv1": -0.0247365999999999, "conv2": -0.00272785, "en1": -72.31498359999999, "en2": -72.25418215, "defecttype": "adsorbate", "extension_factor": 1.0077802177382809, "supercell": 331, "dopant_chemical_potential": -9.2282470075, "eform": 4.930308607499994, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 8644db5ceafe6a698642d25fca39971c
username: fafb
key_value_pairs:
  {"name": "HfS2_Sb_ads2", "host": "HfS2", "dopant": "Sb", "site": "ads2", "depth": 1.6046623428022733, "conv1": -0.00675677, "conv2": 0.000775238, "en1": -206.62965198, "en2": -206.65271106, "defecttype": "adsorbate", "extension_factor": 0.9877945365138896, "supercell": 331, "dopant_chemical_potential": -4.14761935, "eform": 2.09155263999999, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: ecd955ab2890980310fb042a57382570
username: fafb
key_value_pairs:
  {"name": "CO2V2_Hg_ads2", "host": "V2CO2", "dopant": "Hg", "site": "ads2", "depth": 2.2821419706563852, "conv1": -0.00295979, "conv2": -0.00121838, "en1": -711.3338617, "en2": -711.60937727, "defecttype": "adsorbate", "extension_factor": 1.2696476247199284, "supercell": 441, "dopant_chemical_potential": -0.183595435, "eform": -0.1464733050000015, "hostenergy": -711.27930853, "host_spacegroup": 164, "spin": 0, "converged": true}


unique_id: beebbf307e1d72c50919f634ffdae1a4
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_Cr_ads1", "host": "Hf2Te6", "dopant": "Cr", "site": "ads1", "depth": 1.5074848334500215, "conv1": 0.000638818, "conv2": 0.00169541, "en1": -396.88972322, "en2": -396.91158704, "defecttype": "adsorbate", "extension_factor": 0.9783507561327396, "supercell": 331, "dopant_chemical_potential": -9.512811205, "eform": 2.8733331350000046, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 4, "converged": true}


unique_id: ee29a4e32b0930e0e162523f79ff8324
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_B_int0", "host": "Hf2Te6", "dopant": "B", "site": "int0", "depth": 0.42588638458922795, "conv1": -0.00645135, "conv2": 0.00282582, "en1": -394.68252781, "en2": -394.68697759, "defecttype": "interstitial", "extension_factor": 1.0667462914972952, "supercell": 331, "dopant_chemical_potential": -6.7059564875, "eform": 2.29108786749995, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 1, "converged": true}


unique_id: df3110211c2a224ac3832e30bc27deb5
username: fafb
key_value_pairs:
  {"name": "HfSe2_H_ads1", "host": "HfSe2", "dopant": "H", "site": "ads1", "depth": 1.032489069274563, "conv1": -0.000799322, "conv2": -0.00230834, "en1": -188.45631012, "en2": -188.46646292, "defecttype": "adsorbate", "extension_factor": 0.9792483340783604, "supercell": 331, "dopant_chemical_potential": -3.3953663975, "eform": 1.1371006575000155, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 72094fcb69fe49e12cea6a574da5b87a
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Ni_ads2", "host": "Ge2H2", "dopant": "Ni", "site": "ads2", "depth": 0.7259836157195643, "conv1": 0.119271, "conv2": -0.0165383, "en1": -137.90439222, "en2": -138.10179568, "defecttype": "interstitial", "extension_factor": 1.0059275697995789, "supercell": 331, "dopant_chemical_potential": -5.469610195, "eform": 2.6874502750000016, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: fb856091046bf864987a4f643dec2bd5
username: fafb
key_value_pairs:
  {"name": "Cr2I6_Mn_int3", "host": "Cr2I6", "dopant": "Mn", "site": "int3", "depth": -0.1689503569435196, "conv1": -0.00126536, "conv2": 0.0192063, "en1": -132.48398094, "en2": -134.45399101, "defecttype": "interstitial", "extension_factor": 1.1067103104923743, "supercell": 221, "dopant_chemical_potential": -8.9133661725, "eform": 0.9495668924999964, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 21, "converged": true}


unique_id: 95b489d22de243eac3f7a7d0f2aec3f1
username: fafb
key_value_pairs:
  {"name": "Ge2_Tl_int1", "host": "Ge2", "dopant": "Tl", "site": "int1", "depth": -4.289603564108633e-05, "conv1": 0.477718, "conv2": 0.0126929, "en1": -66.36430414, "en2": -66.57498315, "defecttype": "interstitial", "extension_factor": 1.2434566935262683, "supercell": 331, "dopant_chemical_potential": -2.229339995, "eform": 3.6106005950000046, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: d89779c9d76f1609a8c7d9276fdc8a7d
username: fafb
key_value_pairs:
  {"name": "Cr2I6_Os_int0", "host": "Cr2I6", "dopant": "Os", "site": "int0", "depth": 0.07846338489358007, "conv1": -0.00514906, "conv2": -0.0270944, "en1": -43.07122768, "en2": -128.83297329, "defecttype": "interstitial", "extension_factor": 2.22813323272288, "supercell": 221, "dopant_chemical_potential": -11.25578988, "eform": 8.913008319999994, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 16, "converged": true}


unique_id: e9cfe1cbb97e5878814cf8f2b71128f7
username: fafb
key_value_pairs:
  {"name": "Cr2I6_Ti_int3", "host": "Cr2I6", "dopant": "Ti", "site": "int3", "depth": -0.2568401627038995, "conv1": -0.0145253999999999, "conv2": -0.010986, "en1": -133.32723468, "en2": -133.40269361, "defecttype": "interstitial", "extension_factor": 1.1777901452784167, "supercell": 221, "dopant_chemical_potential": -7.834724325, "eform": 0.9222224450000064, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 28, "converged": true}


unique_id: e3fbdad0f423974dc23f00267019bb7d
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Ce_int0", "host": "Ge2H2", "dopant": "Ce", "site": "int0", "depth": -1.8644989285593652, "conv1": 0.6890310000000001, "conv2": -0.223493, "en1": -128.64415128, "en2": -130.0361228, "defecttype": "adsorbate", "extension_factor": 2.8183080300571723, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 5, "converged": false}


unique_id: d140e10bbd3622f0cfb41c8cdb7b8030
username: fafb
key_value_pairs:
  {"name": "HfSe2_Os_ads2", "host": "HfSe2", "dopant": "Os", "site": "ads2", "depth": 1.0999125253937427, "conv1": -0.002182, "conv2": -6.151090000000001e-05, "en1": -194.78590164, "en2": -194.7941391, "defecttype": "adsorbate", "extension_factor": 0.7804688551471132, "supercell": 331, "dopant_chemical_potential": -11.25578988, "eform": 2.669847960000018, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 46b4309f123b18850561b4d9a9e8af9d
username: fafb
key_value_pairs:
  {"name": "HfSe2_Mn_ads1", "host": "HfSe2", "dopant": "Mn", "site": "ads1", "depth": 1.605509786964997, "conv1": -0.0122432999999999, "conv2": 0.000433754, "en1": -193.65803141, "en2": -193.62132203, "defecttype": "adsorbate", "extension_factor": 0.8496566187845451, "supercell": 331, "dopant_chemical_potential": -8.9133661725, "eform": 1.5002413225000255, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": -3, "converged": true}


unique_id: b316aec22d73cf15c505e1897f2394f3
username: fafb
key_value_pairs:
  {"name": "I2Pb_In_ads1", "host": "PbI2", "dopant": "In", "site": "ads1", "depth": 1.9214331244263914, "conv1": -0.361057, "conv2": -0.236271, "en1": -81.47049532, "en2": -81.45915216, "defecttype": "adsorbate", "extension_factor": 1.031613806124139, "supercell": 331, "dopant_chemical_potential": -2.5362335, "eform": -1.448924330000006, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 0, "converged": false}


unique_id: de64d5991653d57e0cc8c01e1a3defd9
username: fafb
key_value_pairs:
  {"name": "HfS2_Y_int0", "host": "HfS2", "dopant": "Y", "site": "int0", "depth": 0.00015996603008595537, "conv1": -0.00254985, "conv2": -0.000353391, "en1": -207.76620968, "en2": -207.7646396, "defecttype": "interstitial", "extension_factor": 1.5049314144441015, "supercell": 331, "dopant_chemical_potential": -6.42870606, "eform": 3.2607108099999813, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: a957514f5b4526ff2b062b60b7cbf8ea
username: fafb
key_value_pairs:
  {"name": "HfSe2_Ti_ads1", "host": "HfSe2", "dopant": "Ti", "site": "ads1", "depth": 1.6632336876127074, "conv1": -0.0411645, "conv2": -0.0177984, "en1": -192.53779828, "en2": -192.53149208, "defecttype": "adsorbate", "extension_factor": 0.8346785781202906, "supercell": 331, "dopant_chemical_potential": -7.834724325, "eform": 1.5114294250000206, "hostenergy": -186.20819718, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 400a439896557b20b0723c568d727d74
username: fafb
key_value_pairs:
  {"name": "Hf2Te6_C_int1", "host": "Hf2Te6", "dopant": "C", "site": "int1", "depth": 0.5026712779813988, "conv1": -0.00921374, "conv2": -0.000433561, "en1": -395.95356156, "en2": -396.01205647, "defecttype": "interstitial", "extension_factor": 1.052957186627135, "supercell": 331, "dopant_chemical_potential": -9.2282470075, "eform": 3.4882995074999723, "hostenergy": -390.27210897, "host_spacegroup": 59, "spin": 0, "converged": true}


unique_id: 8c35f3e9fdc37f4dad1437175751d70f
username: fafb
key_value_pairs:
  {"name": "Ge2_Ag_ads1", "host": "Ge2", "dopant": "Ag", "site": "ads1", "depth": 5.436076912001804, "conv1": -0.0546915, "conv2": 0.0167867, "en1": -69.73079097, "en2": -69.73336964, "defecttype": "adsorbate", "extension_factor": 0.9790144070663256, "supercell": 331, "dopant_chemical_potential": -2.7174974175, "eform": 0.9403715274999924, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 3, "converged": false}


unique_id: 329a656abb5a2cc2ee207d2239a00ac4
username: fafb
key_value_pairs:
  {"name": "I2Pb_Rh_int0", "host": "PbI2", "dopant": "Rh", "site": "int0", "depth": 0.0057911839958131915, "conv1": 0.1616109999999999, "conv2": 0.300498, "en1": -82.33995398, "en2": -82.64268379, "defecttype": "interstitial", "extension_factor": 1.1404567678617563, "supercell": 331, "dopant_chemical_potential": -7.24930329, "eform": 2.0806138299999897, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 2, "converged": false}


unique_id: 2c06dbae1b0ea554ebbe1a71885df586
username: fafb
key_value_pairs:
  {"name": "Ge2_Rb_ads0", "host": "Ge2", "dopant": "Rb", "site": "ads0", "depth": 9.957160284558505, "conv1": 0.00411131, "conv2": 0.00105479, "en1": -69.79729686, "en2": -69.78489798, "defecttype": "adsorbate", "extension_factor": 0.980584149810084, "supercell": 331, "dopant_chemical_potential": -0.933634225, "eform": -0.8950200049999979, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: c2e29be4a4ee46c9f4b052428f7ef16a
username: fafb
key_value_pairs:
  {"name": "Ge2_B_ads1", "host": "Ge2", "dopant": "B", "site": "ads1", "depth": 0.7008886233630393, "conv1": -0.0379621, "conv2": 0.00369826, "en1": -72.98255709, "en2": -73.46322619, "defecttype": "adsorbate", "extension_factor": 1.0353344450461135, "supercell": 331, "dopant_chemical_potential": -6.7059564875, "eform": 1.1989740474999984, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 1, "converged": true}


unique_id: 331fd88b6423a44b1c048730a7b0ad5a
username: fafb
key_value_pairs:
  {"name": "Ge2_Bi_ads2", "host": "Ge2", "dopant": "Bi", "site": "ads2", "depth": 5.040651987003442, "conv1": -0.0039949, "conv2": 0.00233209, "en1": -71.87429145, "en2": -71.89530673, "defecttype": "adsorbate", "extension_factor": 1.1687757845785378, "supercell": 331, "dopant_chemical_potential": -3.8828783716666666, "eform": -0.0561846083333361, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 8c3e79a030ca1d83c2bc3708846b2e38
username: fafb
key_value_pairs:
  {"name": "I2Pb_La_ads0", "host": "PbI2", "dopant": "La", "site": "ads0", "depth": 2.4145690110154203, "conv1": 0.1571779999999999, "conv2": 0.187552, "en1": -80.84955777, "en2": -81.90305803, "defecttype": "adsorbate", "extension_factor": 0.9672633704409878, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -77.47399433, "host_spacegroup": 164, "spin": 1, "converged": false}


unique_id: 117416c8bcb8bc9e1b869a6b7550e1b0
username: fafb
key_value_pairs:
  {"name": "HfS2_Pm_ads0", "host": "HfS2", "dopant": "Pm", "site": "ads0", "depth": 2.661413426813939, "conv1": -0.0049859, "conv2": -0.000920018, "en1": -207.02534578, "en2": -207.0748338, "defecttype": "adsorbate", "extension_factor": 0.9118323341658264, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: d9f794d926a0f92a075df93025663889
username: fafb
key_value_pairs:
  {"name": "Ge2_Eu_int1", "host": "Ge2", "dopant": "Eu", "site": "int1", "depth": 0.0737393190795941, "conv1": -0.0045438, "conv2": -9.57854e-05, "en1": -69.14312332, "en2": -69.21970453, "defecttype": "interstitial", "extension_factor": 1.409289921707284, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -67.95624375, "host_spacegroup": 164, "spin": 2, "converged": true}


unique_id: 2e40a4c5b49c2374d89293f1275bf1c5
username: fafb
key_value_pairs:
  {"name": "Cr2I6_Mo_int1", "host": "Cr2I6", "dopant": "Mo", "site": "int1", "depth": 0.0006006905388016438, "conv1": -0.0144212, "conv2": -0.00392261, "en1": -134.62498449, "en2": -134.65042981, "defecttype": "interstitial", "extension_factor": 1.3610741985938877, "supercell": 221, "dopant_chemical_potential": -10.90733766, "eform": 2.747099580000014, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 22, "converged": true}


unique_id: 61ada1a386d2b95727293df311181e6d
username: fafb
key_value_pairs:
  {"name": "HfS2_Tb_ads0", "host": "HfS2", "dopant": "Tb", "site": "ads0", "depth": 2.6250247391573565, "conv1": -0.0002426959999999, "conv2": 0.00244632, "en1": -206.60958241, "en2": -206.83947507, "defecttype": "adsorbate", "extension_factor": 0.9544437237842156, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -204.59664435, "host_spacegroup": 164, "spin": 3, "converged": true}


unique_id: 41c29b909d53ee0c3c5f0f760db06834
username: fafb
key_value_pairs:
  {"name": "H2Ge2_Mn_int0", "host": "Ge2H2", "dopant": "Mn", "site": "int0", "depth": -0.6423718611231337, "conv1": 0.0140486999999999, "conv2": -0.264241, "en1": -137.80411163, "en2": -138.85807271, "defecttype": "adsorbate", "extension_factor": 1.1135473835919043, "supercell": 331, "dopant_chemical_potential": -8.9133661725, "eform": 5.374929222500024, "hostenergy": -135.31963576, "host_spacegroup": 164, "spin": 5, "converged": true}


unique_id: c0819b6f5b8ac684beb49f45c97ba394
username: fafb
key_value_pairs:
  {"name": "Cr2I6_Sn_int1", "host": "Cr2I6", "dopant": "Sn", "site": "int1", "depth": 0.005363923564599171, "conv1": -0.00323635, "conv2": 0.0140038999999999, "en1": -128.96032543, "en2": -128.72414322, "defecttype": "interstitial", "extension_factor": 1.4413473275077782, "supercell": 221, "dopant_chemical_potential": -3.846099155, "eform": 1.6121476650000046, "hostenergy": -126.49019173, "host_spacegroup": 162, "spin": 1, "converged": true}


unique_id: 859be26d4e9af238716a2892d87aa035
username: fafb
key_value_pairs:
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