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{
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"results": [
{
"id": "mp-1222990",
"created_at": "2022-09-04T14:48:08.628390Z",
"structure_string": "La4 Mg1\n1.0\n-2.694409 -1.906910 1.906910\n-2.694409 1.906910 -1.906910\n2.694409 -8.427043 -8.427043\nLa Mg\n4 1\ndirect\n0.588415 0.588415 0.176830 La\n0.193867 0.193867 0.387734 La\n0.806133 0.806133 0.612266 La\n0.411585 0.411585 0.823170 La\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"Mg"
],
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"formula_full": "La4 Mg1",
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"updated_at": "2021-11-28T01:38:28.914000Z",
"spacegroup": 139
},
{
"id": "mp-1222097",
"created_at": "2022-09-04T14:48:08.630013Z",
"structure_string": "Mn4 Fe8 Si1 Ge3\n1.0\n13.199073 -2.010355 0.000000\n13.199073 2.010355 0.000000\n12.892875 0.000000 3.468547\nMn Fe Si Ge\n4 8 1 3\ndirect\n0.624369 0.624369 0.624369 Mn\n0.375631 0.375631 0.375631 Mn\n0.874686 0.874686 0.874686 Mn\n0.125314 0.125314 0.125314 Mn\n0.937284 0.937284 0.937284 Fe\n0.687137 0.687137 0.687137 Fe\n0.186103 0.186103 0.186103 Fe\n0.439166 0.439166 0.439166 Fe\n0.560834 0.560834 0.560834 Fe\n0.312863 0.312863 0.312863 Fe\n0.813897 0.813897 0.813897 Fe\n0.062716 0.062716 0.062716 Fe\n0.500000 0.500000 0.500000 Si\n0.750391 0.750391 0.750391 Ge\n0.000000 0.000000 0.000000 Ge\n0.249609 0.249609 0.249609 Ge\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"Si",
"Ge"
],
"chemical_system": "Fe-Ge-Mn-Si",
"density": 8.231834312622228,
"density_atomic": 0.08692130100666608,
"volume": 184.07455726845305,
"volume_molar": 6.92826808878316,
"formula_full": "Mn4 Fe8 Si1 Ge3",
"formula_reduced": "Mn4Fe8SiGe3",
"formula_anonymous": "AB3C4D8",
"energy": -126.26625291,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:28.726000Z",
"spacegroup": 166
},
{
"id": "mp-10967",
"created_at": "2022-09-04T14:48:08.635649Z",
"structure_string": "Cd1 Cu2 Ge1 Se4\n1.0\n-2.917194 2.917194 5.617492\n2.917194 -2.917194 5.617492\n2.917194 2.917194 -5.617492\nCd Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.404615 0.867695 0.000000 Se\n0.595385 0.595385 0.463081 Se\n0.132305 0.132305 0.536919 Se\n0.867695 0.404615 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cd-Cu-Ge-Se",
"density": 5.453356724399745,
"density_atomic": 0.04183665076306448,
"volume": 191.21989581113425,
"volume_molar": 14.39441410858981,
"formula_full": "Cd1 Cu2 Ge1 Se4",
"formula_reduced": "CdCu2GeSe4",
"formula_anonymous": "ABC2D4",
"energy": -32.33194014,
"energy_per_atom": -4.0414925175,
"energy_above_hull": null,
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"energy_uncorrected": -30.44394014,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.0001179,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.892000Z",
"spacegroup": 121
},
{
"id": "mp-1219822",
"created_at": "2022-09-04T14:48:08.635584Z",
"structure_string": "Ni7 Sn8\n1.0\n0.000000 4.088433 0.000000\n0.026923 0.000000 5.257998\n12.250452 0.000000 2.287320\nNi Sn\n7 8\ndirect\n0.500000 0.372267 0.291013 Ni\n0.000000 0.873419 0.785676 Ni\n0.000000 0.126581 0.214324 Ni\n0.500000 0.627733 0.708987 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.857607 0.331830 Sn\n0.000000 0.353500 0.816711 Sn\n0.000000 0.646500 0.183289 Sn\n0.500000 0.142393 0.668170 Sn\n0.500000 0.220698 0.079613 Sn\n0.000000 0.742496 0.569661 Sn\n0.000000 0.257504 0.430339 Sn\n0.500000 0.779302 0.920387 Sn\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn",
"density": 8.587058499745128,
"density_atomic": 0.05701344025891564,
"volume": 263.09585830780196,
"volume_molar": 10.562668614017326,
"formula_full": "Ni7 Sn8",
"formula_reduced": "Ni7Sn8",
"formula_anonymous": "A7B8",
"energy": -75.94901935,
"energy_per_atom": -5.0632679566666665,
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"updated_at": "2021-11-28T01:38:26.245000Z",
"spacegroup": 10
},
{
"id": "mp-1047769",
"created_at": "2022-09-04T14:48:08.645983Z",
"structure_string": "Mg6 Mn6 As8 O32\n1.0\n5.267858 0.000000 0.000000\n0.000000 8.713788 0.000000\n0.000000 6.281230 15.211014\nMg Mn As O\n6 6 8 32\ndirect\n0.551636 0.316724 0.210361 Mg\n0.051636 0.683276 0.289639 Mg\n0.448364 0.683276 0.789639 Mg\n0.948364 0.316724 0.710361 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.496897 0.195326 0.625436 Mn\n0.503103 0.804674 0.374564 Mn\n0.996897 0.804674 0.874564 Mn\n0.003103 0.195326 0.125436 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.982319 0.031923 0.352810 As\n0.503976 0.417072 0.392543 As\n0.003976 0.582928 0.107457 As\n0.996024 0.417072 0.892543 As\n0.017681 0.968077 0.647190 As\n0.496024 0.582928 0.607457 As\n0.517681 0.031923 0.852810 As\n0.482319 0.968077 0.147190 As\n0.390531 0.820091 0.248130 O\n0.954242 0.751961 0.012248 O\n0.421129 0.394920 0.299195 O\n0.401133 0.162572 0.150309 O\n0.578871 0.605080 0.700805 O\n0.109469 0.820091 0.748130 O\n0.921129 0.605080 0.200805 O\n0.700414 0.504680 0.890131 O\n0.687101 0.072416 0.928465 O\n0.609469 0.179909 0.751870 O\n0.098867 0.162572 0.650309 O\n0.299586 0.495320 0.109869 O\n0.294320 0.569351 0.401885 O\n0.312899 0.927584 0.071535 O\n0.693923 0.977456 0.629212 O\n0.193923 0.022544 0.870788 O\n0.794320 0.430649 0.098115 O\n0.078871 0.394920 0.799195 O\n0.187101 0.927584 0.571535 O\n0.200414 0.495320 0.609869 O\n0.806077 0.977456 0.129212 O\n0.306077 0.022544 0.370788 O\n0.045758 0.248039 0.987752 O\n0.454242 0.248039 0.487752 O\n0.705680 0.430649 0.598115 O\n0.890531 0.179909 0.251870 O\n0.598867 0.837428 0.849691 O\n0.812899 0.072416 0.428465 O\n0.545758 0.751961 0.512248 O\n0.799586 0.504680 0.390131 O\n0.205680 0.569351 0.901885 O\n0.901133 0.837428 0.349691 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"As",
"O"
],
"chemical_system": "As-Mg-Mn-O",
"density": 3.773769087071594,
"density_atomic": 0.0744739053148529,
"volume": 698.2311425748375,
"volume_molar": 8.086242737694809,
"formula_full": "Mg6 Mn6 As8 O32",
"formula_reduced": "Mg3Mn3(AsO4)4",
"formula_anonymous": "A3B3C4D16",
"energy": -372.73749821,
"energy_per_atom": -7.168028811730769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -340.74549821,
"band_gap": 1.8856,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.9995833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.126000Z",
"spacegroup": 14
},
{
"id": "mp-567472",
"created_at": "2022-09-04T14:48:08.654235Z",
"structure_string": "Cu12 P48 I12\n1.0\n13.957393 0.000000 0.000000\n0.000000 9.841236 0.000000\n0.000000 4.309782 12.443573\nCu P I\n12 48 12\ndirect\n0.040432 0.790791 0.848086 Cu\n0.107630 0.005744 0.076439 Cu\n0.317403 0.904401 0.938738 Cu\n0.763684 0.795083 0.709938 Cu\n0.540432 0.209209 0.151914 Cu\n0.817403 0.095599 0.061262 Cu\n0.213716 0.789022 0.512312 Cu\n0.489721 0.793583 0.642266 Cu\n0.989721 0.206417 0.357734 Cu\n0.607630 0.994256 0.923561 Cu\n0.263684 0.204917 0.290062 Cu\n0.713716 0.210978 0.487688 Cu\n0.118991 0.589323 0.558237 P\n0.393562 0.308374 0.511928 P\n0.060174 0.385858 0.902542 P\n0.197164 0.385437 0.652181 P\n0.730045 0.450469 0.662516 P\n0.798234 0.675884 0.031421 P\n0.344697 0.467047 0.590305 P\n0.135085 0.590726 0.898384 P\n0.994500 0.307741 0.174764 P\n0.522856 0.456303 0.859979 P\n0.912376 0.466729 0.923518 P\n0.171431 0.563944 0.068367 P\n0.494500 0.692259 0.825236 P\n0.281378 0.546402 0.850677 P\n0.363237 0.695277 0.922251 P\n0.719353 0.667008 0.881616 P\n0.473428 0.458633 0.369961 P\n0.807698 0.349619 0.553757 P\n0.219353 0.332992 0.118384 P\n0.230045 0.549531 0.337484 P\n0.091917 0.233464 0.070465 P\n0.863237 0.304723 0.077749 P\n0.037709 0.330038 0.467663 P\n0.560174 0.614142 0.097458 P\n0.844697 0.532953 0.409695 P\n0.591917 0.766536 0.929535 P\n0.412376 0.533271 0.076482 P\n0.167073 0.231403 0.560003 P\n0.973428 0.541367 0.630039 P\n0.455829 0.681026 0.379578 P\n0.581672 0.435920 0.598102 P\n0.307698 0.650381 0.446243 P\n0.947142 0.648745 0.981072 P\n0.022856 0.543697 0.140021 P\n0.618991 0.410677 0.441763 P\n0.955829 0.318974 0.620422 P\n0.671431 0.436056 0.931633 P\n0.635085 0.409274 0.101616 P\n0.537709 0.669962 0.532337 P\n0.447142 0.351255 0.018928 P\n0.260329 0.314348 0.417702 P\n0.298234 0.324116 0.968579 P\n0.760329 0.685652 0.582298 P\n0.081672 0.564080 0.401898 P\n0.781378 0.453598 0.149323 P\n0.667073 0.768597 0.439997 P\n0.893562 0.691626 0.488072 P\n0.697164 0.614563 0.347819 P\n0.941286 0.896783 0.675099 I\n0.814715 0.103896 0.369721 I\n0.281954 0.901768 0.137733 I\n0.138727 0.003014 0.871915 I\n0.441286 0.103217 0.324901 I\n0.638727 0.996986 0.128085 I\n0.441321 0.110647 0.846909 I\n0.941321 0.889353 0.153091 I\n0.314715 0.896104 0.630279 I\n0.626530 0.997391 0.633095 I\n0.781954 0.098232 0.862267 I\n0.126530 0.002609 0.366905 I\n",
"nsites": 72,
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"elements": [
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"P",
"I"
],
"chemical_system": "Cu-I-P",
"density": 3.664701131638503,
"density_atomic": 0.042124372326539844,
"volume": 1709.2242809428749,
"volume_molar": 14.296096125344137,
"formula_full": "Cu12 P48 I12",
"formula_reduced": "CuP4I",
"formula_anonymous": "ABC4",
"energy": -338.14076836,
"energy_per_atom": -4.696399560555555,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:27.540000Z",
"spacegroup": 4
},
{
"id": "mp-1210524",
"created_at": "2022-09-04T14:48:08.655968Z",
"structure_string": "Lu10 Sb2 Pt4\n1.0\n-3.785530 3.785530 6.775953\n3.785530 -3.785530 6.775953\n3.785530 3.785530 -6.775953\nLu Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.798557 0.298557 0.820431 Lu\n0.201443 0.701443 0.179569 Lu\n0.478126 0.978126 0.179569 Lu\n0.298557 0.478126 0.500000 Lu\n0.021874 0.201443 0.500000 Lu\n0.521874 0.021874 0.820431 Lu\n0.701443 0.521874 0.500000 Lu\n0.978126 0.798557 0.500000 Lu\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136927 0.636927 0.773853 Pt\n0.863073 0.363073 0.226147 Pt\n0.636927 0.863073 0.500000 Pt\n0.363073 0.136927 0.500000 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Lu",
"Sb",
"Pt"
],
"chemical_system": "Lu-Pt-Sb",
"density": 11.857621355882198,
"density_atomic": 0.04119421409921195,
"volume": 388.404059887286,
"volume_molar": 14.618899502479413,
"formula_full": "Lu10 Sb2 Pt4",
"formula_reduced": "Lu5SbPt2",
"formula_anonymous": "AB2C5",
"energy": -94.07005287,
"energy_per_atom": -5.879378304375,
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"updated_at": "2021-11-28T01:38:26.376000Z",
"spacegroup": 140
},
{
"id": "mp-1209498",
"created_at": "2022-09-04T14:48:08.658184Z",
"structure_string": "Rb4 P44\n1.0\n9.796475 0.000000 0.000000\n0.000000 6.868002 0.000000\n0.000000 1.260552 18.721642\nRb P\n4 44\ndirect\n0.474779 0.930053 0.672427 Rb\n0.525221 0.069947 0.327573 Rb\n0.974779 0.069947 0.327573 Rb\n0.025221 0.930053 0.672427 Rb\n0.403946 0.844342 0.086430 P\n0.596054 0.155658 0.913570 P\n0.903946 0.155658 0.913570 P\n0.096054 0.844342 0.086430 P\n0.750000 0.796286 0.220437 P\n0.250000 0.203714 0.779563 P\n0.910671 0.681433 0.060936 P\n0.089329 0.318567 0.939064 P\n0.410671 0.318567 0.939064 P\n0.589329 0.681433 0.060936 P\n0.750000 0.751055 0.464200 P\n0.250000 0.248945 0.535800 P\n0.750000 0.352629 0.956943 P\n0.250000 0.647371 0.043057 P\n0.367335 0.776648 0.203037 P\n0.632665 0.223352 0.796963 P\n0.867335 0.223352 0.796963 P\n0.132665 0.776648 0.203037 P\n0.750000 0.737585 0.579623 P\n0.250000 0.262415 0.420377 P\n0.750000 0.869932 0.106755 P\n0.250000 0.130068 0.893245 P\n0.909575 0.543534 0.430113 P\n0.090425 0.456466 0.569887 P\n0.409575 0.456466 0.569887 P\n0.590425 0.543534 0.430113 P\n0.750000 0.482270 0.217049 P\n0.250000 0.517730 0.782951 P\n0.750000 0.623106 0.875718 P\n0.250000 0.376894 0.124282 P\n0.404509 0.454326 0.203350 P\n0.595491 0.545674 0.796650 P\n0.904509 0.545674 0.796650 P\n0.095491 0.454326 0.203350 P\n0.409925 0.686717 0.477045 P\n0.590075 0.313283 0.522955 P\n0.909925 0.313283 0.522955 P\n0.090075 0.686717 0.477045 P\n0.912590 0.414585 0.137848 P\n0.087410 0.585415 0.862152 P\n0.412590 0.585415 0.862152 P\n0.587410 0.414585 0.137848 P\n0.750000 0.422791 0.594910 P\n0.250000 0.577209 0.405090 P\n",
"nsites": 48,
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"elements": [
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"chemical_system": "P-Rb",
"density": 2.247279739995578,
"density_atomic": 0.03810632381201511,
"volume": 1259.633446584668,
"volume_molar": 15.803520669451693,
"formula_full": "Rb4 P44",
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"energy": -248.08365414,
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"spacegroup": 11
},
{
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{
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