# systems

unique_id: f89477fb2a8161865f17fc2e8851f2fe
username: fafb
key_value_pairs:
  {"name": "MoTe2_Cl_ads1", "host": "MoTe2", "dopant": "Cl", "site": "ads1", "depth": 2.3843080542264237, "conv1": -0.00158889, "conv2": -7.117359999999999e-05, "en1": -164.91630803, "en2": -164.92065351, "defecttype": "adsorbate", "extension_factor": 1.2545309067062198, "supercell": 331, "dopant_chemical_potential": -1.84984151, "eform": 0.2326774600000148, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": -1, "converged": true}


unique_id: b39598db2e11525cf368ba9cc4d512ff
username: fafb
key_value_pairs:
  {"name": "NbS2_Li_int4", "host": "NbS2", "dopant": "Li", "site": "int4", "depth": 3.174547520156231e-08, "conv1": -0.000407428, "conv2": -3.4391100000000003e-05, "en1": -194.93563995, "en2": -194.93326505, "defecttype": "interstitial", "extension_factor": 1.0368765393697934, "supercell": 331, "dopant_chemical_potential": -1.90645214, "eform": 2.2955647800000074, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 99f292fe6c9b8aa9b902cf67d97c429b
username: fafb
key_value_pairs:
  {"name": "MoTe2_In_ads0", "host": "MoTe2", "dopant": "In", "site": "ads0", "depth": 2.614730771755509, "conv1": 0.279198, "conv2": -2.18361, "en1": -167.46156929, "en2": -168.71704313, "defecttype": "adsorbate", "extension_factor": 1.0233235485694214, "supercell": 331, "dopant_chemical_potential": -2.5362335, "eform": -2.877320169999998, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": -2, "converged": false}


unique_id: 5f87f14c0e0e5f0b8f8daa7307136e80
username: fafb
key_value_pairs:
  {"name": "S2W_V_ads1", "host": "WS2", "dopant": "V", "site": "ads1", "depth": 2.0817943168283426, "conv1": -0.0407283, "conv2": -0.00158788, "en1": -384.55508685, "en2": -384.55494739, "defecttype": "adsorbate", "extension_factor": 0.9346635426725584, "supercell": 441, "dopant_chemical_potential": -8.99443121, "eform": 4.10567379000001, "hostenergy": -379.66618997, "host_spacegroup": 187, "spin": 5, "converged": true}


unique_id: 386d1775e3aefb76828131720575d4b0
username: fafb
key_value_pairs:
  {"name": "MoSe2_As_ads1", "host": "MoSe2", "dopant": "As", "site": "ads1", "depth": 2.5869440260323104, "conv1": -0.00229965, "conv2": -9.50704e-05, "en1": -322.5206858, "en2": -322.53055494, "defecttype": "adsorbate", "extension_factor": 1.2478159757478609, "supercell": 441, "dopant_chemical_potential": -4.681127165, "eform": 2.8869858949999885, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 2826e363b9de1979fb7dcca398394b20
username: fafb
key_value_pairs:
  {"name": "NbS2_Cd_ads0", "host": "NbS2", "dopant": "Cd", "site": "ads0", "depth": 2.6406647044936737, "conv1": -0.00424354, "conv2": -3.81474e-05, "en1": -195.61291134, "en2": -195.61248065, "defecttype": "adsorbate", "extension_factor": 1.012698466167302, "supercell": 331, "dopant_chemical_potential": -0.76510757, "eform": 0.4750046099999871, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 98157b58cdd344f1c0dd54beeaf75bf1
username: fafb
key_value_pairs:
  {"name": "MoS2_Ni_ads2", "host": "MoS2", "dopant": "Ni", "site": "ads2", "depth": 1.332646598561527, "conv1": -0.00369439, "conv2": -0.000100916, "en1": -354.34080463, "en2": -354.32685232, "defecttype": "adsorbate", "extension_factor": 0.8364407106238073, "supercell": 441, "dopant_chemical_potential": -5.469610195, "eform": 1.7076756649999805, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: b1f175b7ef67cce31d915eb4f5dbe4c5
username: fafb
key_value_pairs:
  {"name": "NbSe2_V_int4", "host": "NbSe2", "dopant": "V", "site": "int4", "depth": 3.8505689869348186e-06, "conv1": -0.00483661, "conv2": -9.26754e-05, "en1": -185.72581687, "en2": -185.74109733, "defecttype": "interstitial", "extension_factor": 1.0658211689491142, "supercell": 331, "dopant_chemical_potential": -8.99443121, "eform": 2.109531119999998, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: ab4eba84c4308c7e4dcce9f01d010851
username: fafb
key_value_pairs:
  {"name": "NbS2_Hf_int4", "host": "NbS2", "dopant": "Hf", "site": "int4", "depth": 2.471153384737252e-06, "conv1": -0.00133365, "conv2": -8.492350000000001e-05, "en1": -200.62725704, "en2": -200.62104849, "defecttype": "interstitial", "extension_factor": 1.1411826929299629, "supercell": 331, "dopant_chemical_potential": -9.92359994, "eform": 4.624929140000004, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 1d598d25bd72471a6fa1c5d3750ab723
username: fafb
key_value_pairs:
  {"name": "NbSe2_Sm_ads0", "host": "NbSe2", "dopant": "Sm", "site": "ads0", "depth": 2.3715957970374957, "conv1": 0.00242274, "conv2": -0.0801235, "en1": -182.44948388, "en2": -182.58477497, "defecttype": "adsorbate", "extension_factor": 0.8726861406245521, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 207d2341cc478fcd36aec2c000af0f59
username: fafb
key_value_pairs:
  {"name": "MoS2_Ge_ads0", "host": "MoS2", "dopant": "Ge", "site": "ads0", "depth": 2.475772405046288, "conv1": -0.00472808, "conv2": -8.16306e-05, "en1": -352.48068035, "en2": -352.45955404, "defecttype": "adsorbate", "extension_factor": 1.0025370378779472, "supercell": 441, "dopant_chemical_potential": -4.507869405, "eform": 2.613233154999981, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 956e620686b50295f1c359fd16e42dd1
username: fafb
key_value_pairs:
  {"name": "S2Sn_Br_int4", "host": "SnS2", "dopant": "Br", "site": "int4", "depth": 0.001196893364931715, "conv1": -0.00211622, "conv2": -8.30004e-06, "en1": -102.34056728, "en2": -102.33514701, "defecttype": "interstitial", "extension_factor": 1.0377143645375726, "supercell": 331, "dopant_chemical_potential": -1.64240752625, "eform": 6.8930239962499975, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 6e0f3a27f7a48ee493bbd074b595a7e2
username: fafb
key_value_pairs:
  {"name": "MoS2_Mg_ads1", "host": "MoS2", "dopant": "Mg", "site": "ads1", "depth": 2.3584294874863896, "conv1": -0.00469953, "conv2": -0.000133529, "en1": -350.80961788, "en2": -350.80622437, "defecttype": "adsorbate", "extension_factor": 1.054396704050228, "supercell": 441, "dopant_chemical_potential": -1.502700195, "eform": 1.2613936149999858, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: 6010be0402700477e4ab836d490546b0
username: fafb
key_value_pairs:
  {"name": "Se2W_Ga_ads0", "host": "WSe2", "dopant": "Ga", "site": "ads0", "depth": 2.528195734994434, "conv1": -0.00346049, "conv2": -9.12479e-05, "en1": -347.6581588, "en2": -347.65421051, "defecttype": "adsorbate", "extension_factor": 1.0197613852673495, "supercell": 441, "dopant_chemical_potential": -2.92144759375, "eform": 2.055677003749989, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: f05c346ad1cdfa035a0c79be477cf0ae
username: fafb
key_value_pairs:
  {"name": "MoSe2_Ga_ads1", "host": "MoSe2", "dopant": "Ga", "site": "ads1", "depth": 2.0758212119203168, "conv1": -0.00370758, "conv2": -9.50607e-05, "en1": -322.0363674, "en2": -322.0510199, "defecttype": "adsorbate", "extension_factor": 1.1055189011194333, "supercell": 441, "dopant_chemical_potential": -2.92144759375, "eform": 1.6068413637500187, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 7d5e181ff5556d0588344ea0bbd9ed0e
username: fafb
key_value_pairs:
  {"name": "MoSe2_V_int2", "host": "MoSe2", "dopant": "V", "site": "int2", "depth": -0.09988895545075212, "conv1": 0.1124119999999999, "conv2": -0.00454006, "en1": -315.96452548, "en2": -316.0190251, "defecttype": "interstitial", "extension_factor": 2.951440335806197, "supercell": 441, "dopant_chemical_potential": -8.99443121, "eform": 13.711819779999969, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 4, "converged": false}


unique_id: dda9550d8a7b4205df50f669b3710290
username: fafb
key_value_pairs:
  {"name": "MoS2_Sr_int4", "host": "MoS2", "dopant": "Sr", "site": "int4", "depth": 4.239299562637375e-09, "conv1": -0.000998413, "conv2": -5.12123e-05, "en1": -338.81068503, "en2": -338.79640024, "defecttype": "interstitial", "extension_factor": 1.0883886677071013, "supercell": 441, "dopant_chemical_potential": -1.6408387475, "eform": 13.409356297499954, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 6b7309bd2e8998ac56c60431ea756ebb
username: fafb
key_value_pairs:
  {"name": "Se2W_As_ads0", "host": "WSe2", "dopant": "As", "site": "ads0", "depth": 2.3711797778845938, "conv1": -0.00151262, "conv2": -8.03055e-05, "en1": -348.60522896, "en2": -348.60007208, "defecttype": "adsorbate", "extension_factor": 0.9895748570475048, "supercell": 441, "dopant_chemical_potential": -4.681127165, "eform": 2.869495004999956, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: c90a29a1d6703e69fd36c5b1f2afc669
username: fafb
key_value_pairs:
  {"name": "NbSe2_Zr_int4", "host": "NbSe2", "dopant": "Zr", "site": "int4", "depth": -2.0559176765199654e-06, "conv1": -0.00350862, "conv2": -2.86788e-05, "en1": -184.02430092, "en2": -184.02088273, "defecttype": "interstitial", "extension_factor": 1.1393766880775409, "supercell": 331, "dopant_chemical_potential": -8.521698665, "eform": 3.3570131749999903, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 47bfc6d84356eb044f6bf23f7a2ac15f
username: fafb
key_value_pairs:
  {"name": "MoS2_Li_int2", "host": "MoS2", "dopant": "Li", "site": "int2", "depth": 5.154517977135475e-07, "conv1": -0.00220788, "conv2": -0.00100494, "en1": -345.29512413, "en2": -345.29967296, "defecttype": "interstitial", "extension_factor": 1.2196343154410365, "supercell": 441, "dopant_chemical_potential": -1.90645214, "eform": 7.171696969999973, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 3eab0cd8bf5dbc99e1c6565f4d81cd54
username: fafb
key_value_pairs:
  {"name": "Te2W_Tb_int2", "host": "WTe2", "dopant": "Tb", "site": "int2", "depth": 0.0008478225757069317, "conv1": -0.00516127, "conv2": -0.00774374, "en1": -174.1080985, "en2": -174.04335134, "defecttype": "interstitial", "extension_factor": 1.7149115977533105, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -175.25317218, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: b1dae9048f3a1fe036deca5918ca5d2c
username: fafb
key_value_pairs:
  {"name": "NbS2_Fe_int3", "host": "NbS2", "dopant": "Fe", "site": "int3", "depth": -0.004818287115142236, "conv1": -0.2447369999999999, "conv2": 0.00704069, "en1": -190.71448305, "en2": -191.51936189, "defecttype": "interstitial", "extension_factor": 2.650116705303112, "supercell": 331, "dopant_chemical_potential": -8.24112909, "eform": 12.044144889999997, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 7, "converged": false}


unique_id: 1c788ef6b10b1de9270b92558b6825f3
username: fafb
key_value_pairs:
  {"name": "S2Sn_Ba_ads2", "host": "SnS2", "dopant": "Ba", "site": "ads2", "depth": 2.1648119289443937, "conv1": -0.0415126, "conv2": 0.00998055, "en1": -112.08320917, "en2": -112.0955815, "defecttype": "adsorbate", "extension_factor": 0.959649852557228, "supercell": 331, "dopant_chemical_potential": -1.90654936, "eform": -2.603268659999997, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 58b3d85ce57bbf73090d5436656a5650
username: fafb
key_value_pairs:
  {"name": "NbSe2_Cu_int4", "host": "NbSe2", "dopant": "Cu", "site": "int4", "depth": 0.0004332092712589047, "conv1": -0.00413435, "conv2": -2.85829e-05, "en1": -179.88215911, "en2": -179.88134102, "defecttype": "interstitial", "extension_factor": 1.0599430911026488, "supercell": 331, "dopant_chemical_potential": -3.7298232125, "eform": 2.7046794324999923, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 2, "converged": true}


unique_id: 41b50f1003e2e26254c27da820fa928d
username: fafb
key_value_pairs:
  {"name": "MoSe2_K_ads2", "host": "MoSe2", "dopant": "K", "site": "ads2", "depth": 2.5543672202187784, "conv1": -0.00353737, "conv2": -8.606110000000001e-05, "en1": -321.95758394, "en2": -321.96000384, "defecttype": "adsorbate", "extension_factor": 1.0050026812242208, "supercell": 441, "dopant_chemical_potential": -1.04398594, "eform": -0.1796042300000226, "hostenergy": -320.73641367, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 4c653699a9d18b75dc4fc206c1447f55
username: fafb
key_value_pairs:
  {"name": "MoS2_Gd_ads1", "host": "MoS2", "dopant": "Gd", "site": "ads1", "depth": 2.077539097207411, "conv1": -0.0193392, "conv2": -5.51453e-05, "en1": -353.02453099, "en2": -353.10214421, "defecttype": "adsorbate", "extension_factor": 0.8849806048415669, "supercell": 441, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: b937428e348afb67faef3ce99cb31c44
username: fafb
key_value_pairs:
  {"name": "Se2W_N_ads2", "host": "WSe2", "dopant": "N", "site": "ads2", "depth": 1.0411402521762956, "conv1": -0.00438975, "conv2": -9.36687e-05, "en1": -348.19399774, "en2": -348.22038471, "defecttype": "adsorbate", "extension_factor": 1.0442008997349896, "supercell": 441, "dopant_chemical_potential": -8.34141351, "eform": 6.909468719999954, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 3, "converged": true}


unique_id: 2f926f85b4675ec541524d0b6ce0b77c
username: fafb
key_value_pairs:
  {"name": "MoS2_Ta_ads0", "host": "MoS2", "dopant": "Ta", "site": "ads0", "depth": 2.475704760235735, "conv1": -0.00224955, "conv2": -2.78879e-05, "en1": -355.41942175, "en2": -355.47932289, "defecttype": "adsorbate", "extension_factor": 0.9287989566962528, "supercell": 441, "dopant_chemical_potential": -11.81970551, "eform": 6.905300409999991, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 5, "converged": true}


unique_id: 72d443e020fd179194e2e875adbbe955
username: fafb
key_value_pairs:
  {"name": "S2Sn_Se_int2", "host": "SnS2", "dopant": "Se", "site": "int2", "depth": 0.007121342144827516, "conv1": 0.00804522, "conv2": 0.00129451, "en1": -105.27813196, "en2": -105.28029771, "defecttype": "interstitial", "extension_factor": 2.2150787968655083, "supercell": 331, "dopant_chemical_potential": -3.5038482133333333, "eform": 5.809313983333332, "hostenergy": -107.58576348, "host_spacegroup": 187, "spin": 4, "converged": true}


unique_id: 529991bd0af82588ab95acd40c957794
username: fafb
key_value_pairs:
  {"name": "MoTe2_F_ads0", "host": "MoTe2", "dopant": "F", "site": "ads0", "depth": 2.1390863902387163, "conv1": -0.00277143, "conv2": -0.00050243, "en1": -166.18670531, "en2": -166.21118811, "defecttype": "adsorbate", "extension_factor": 1.0084996919402858, "supercell": 331, "dopant_chemical_potential": -1.8299670325, "eform": -1.0777316174999862, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: bd68fa1dde7f3fb7feea53cf53e91ac1
username: fafb
key_value_pairs:
  {"name": "NbSe2_Pb_ads2", "host": "NbSe2", "dopant": "Pb", "site": "ads2", "depth": 2.15977946162632, "conv1": -0.00313714, "conv2": 0.200536, "en1": -182.61397291, "en2": -182.60893833, "defecttype": "adsorbate", "extension_factor": 1.0283688302445362, "supercell": 331, "dopant_chemical_potential": -3.554778985, "eform": -0.1979621050000006, "hostenergy": -178.85619724, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 6aec6af7cfb2879e1f44abdd19a7d4f7
username: fafb
key_value_pairs:
  {"name": "NbS2_Be_int4", "host": "NbS2", "dopant": "Be", "site": "int4", "depth": -4.163743883047321e-06, "conv1": -0.0028452, "conv2": -8.913959999999999e-05, "en1": -196.52536705, "en2": -196.52467605, "defecttype": "interstitial", "extension_factor": 1.049090655140435, "supercell": 331, "dopant_chemical_potential": -3.758531975, "eform": 2.5562336149999854, "hostenergy": -195.32237769, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: f6e03bec402e38f2498d3ec8a6acf9f3
username: fafb
key_value_pairs:
  {"name": "MoTe2_Ho_int4", "host": "MoTe2", "dopant": "Ho", "site": "int4", "depth": -5.291877742176343e-05, "conv1": -0.00369516, "conv2": -0.000410751, "en1": -162.76557415, "en2": -162.73212525, "defecttype": "interstitial", "extension_factor": 1.106313500905122, "supercell": 331, "dopant_chemical_potential": NaN, "eform": NaN, "hostenergy": -163.30348946, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: b42fe3b37c5e0a6f08b8798f86982305
username: fafb
key_value_pairs:
  {"name": "Se2W_Te_ads0", "host": "WSe2", "dopant": "Te", "site": "ads0", "depth": 2.453358909060495, "conv1": -0.0026554, "conv2": -7.50653e-05, "en1": -348.30972455, "en2": -348.30520283, "defecttype": "adsorbate", "extension_factor": 0.9771399938029096, "supercell": 441, "dopant_chemical_potential": -3.14365439, "eform": 1.6268914799999887, "hostenergy": -346.78843992, "host_spacegroup": 187, "spin": 0, "converged": true}


unique_id: edabada2ded718cb83aebd32696a12aa
username: fafb
key_value_pairs:
  {"name": "MoS2_F_ads2", "host": "MoS2", "dopant": "F", "site": "ads2", "depth": 2.085943514743243, "conv1": -0.00384514, "conv2": -0.000964111, "en1": -352.42517384, "en2": -352.41388584, "defecttype": "adsorbate", "extension_factor": 1.5623155128079038, "supercell": 441, "dopant_chemical_potential": -1.8299670325, "eform": -0.0190010174999963, "hostenergy": -350.56491779, "host_spacegroup": 187, "spin": 1, "converged": true}


unique_id: 4644d2d6cb4fdbbc75efafc97d9ee565
username: fafb
key_value_pairs:
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