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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10264",
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"results": [
{
"id": "mp-1075792",
"created_at": "2022-09-04T14:41:03.877564Z",
"structure_string": "Mg6 Si4\n1.0\n5.262170 0.000000 0.000000\n-1.656693 5.292594 0.000000\n-1.218864 -0.935782 7.045999\nMg Si\n6 4\ndirect\n0.444170 0.265357 0.091949 Mg\n0.555830 0.734643 0.908051 Mg\n0.099314 0.687841 0.176738 Mg\n0.900686 0.312159 0.823262 Mg\n0.696712 0.789895 0.453961 Mg\n0.303288 0.210105 0.546039 Mg\n0.796865 0.319127 0.438322 Si\n0.203135 0.680873 0.561678 Si\n0.923061 0.119937 0.177067 Si\n0.076939 0.880063 0.822933 Si\n",
"nsites": 10,
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"formula_full": "Mg6 Si4",
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{
"id": "mp-1186426",
"created_at": "2022-09-04T14:48:27.042423Z",
"structure_string": "Pa1 Mn2 Ga1\n1.0\n0.000000 3.159622 3.159622\n3.159622 0.000000 3.159622\n3.159622 3.159622 0.000000\nPa Mn Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Pa\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Ga\n",
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"density": 10.808605003198021,
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"volume": 63.086347368172625,
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"formula_full": "Pa1 Mn2 Ga1",
"formula_reduced": "PaMn2Ga",
"formula_anonymous": "ABC2",
"energy": -31.30816071,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:25.538000Z",
"spacegroup": 225
},
{
"id": "mp-865531",
"created_at": "2022-09-04T14:40:19.026156Z",
"structure_string": "Ti1 Mn2 Al1\n1.0\n0.000000 2.980207 2.980207\n2.980207 0.000000 2.980207\n2.980207 2.980207 0.000000\nTi Mn Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
"Ti",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Ti",
"density": 5.79434850336243,
"density_atomic": 0.07555978339490924,
"volume": 52.93821422295787,
"volume_molar": 7.970034440842158,
"formula_full": "Ti1 Mn2 Al1",
"formula_reduced": "TiMn2Al",
"formula_anonymous": "ABC2",
"energy": -31.30757711,
"energy_per_atom": -7.8268942775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.30757711,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0014099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.406000Z",
"spacegroup": 225
},
{
"id": "mp-1217683",
"created_at": "2022-09-04T14:44:12.979075Z",
"structure_string": "Tb2 Al3 Pt1\n1.0\n4.678329 -2.775203 0.000000\n4.678329 2.775203 0.000000\n3.032068 0.000000 4.516092\nTb Al Pt\n2 3 1\ndirect\n0.625040 0.625040 0.625040 Tb\n0.374960 0.374960 0.374960 Tb\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Al",
"Pt"
],
"chemical_system": "Al-Pt-Tb",
"density": 8.409477335023984,
"density_atomic": 0.051164997567384816,
"volume": 117.26766901724054,
"volume_molar": 11.77004015698189,
"formula_full": "Tb2 Al3 Pt1",
"formula_reduced": "Tb2Al3Pt",
"formula_anonymous": "AB2C3",
"energy": -31.3072971,
"energy_per_atom": -5.21788285,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.262000Z",
"spacegroup": 166
},
{
"id": "mp-1112086",
"created_at": "2022-09-04T14:46:41.454987Z",
"structure_string": "K2 Sc1 Ag1 I6\n1.0\n0.000000 5.918566 5.918566\n5.918566 0.000000 5.918566\n5.918566 5.918566 0.000000\nK Sc Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.755351 0.244648 0.244648 I\n0.244648 0.244649 0.755351 I\n0.244648 0.755351 0.755351 I\n0.244648 0.755352 0.244649 I\n0.755351 0.244648 0.755351 I\n0.755351 0.755352 0.244648 I\n",
"nsites": 10,
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"elements": [
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"Sc",
"Ag",
"I"
],
"chemical_system": "Ag-I-K-Sc",
"density": 3.974451237896836,
"density_atomic": 0.024116846518232177,
"volume": 414.64790981026755,
"volume_molar": 24.970680787172164,
"formula_full": "K2 Sc1 Ag1 I6",
"formula_reduced": "K2ScAgI6",
"formula_anonymous": "ABC2D6",
"energy": -33.58094512,
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"updated_at": "2021-11-28T01:37:46.669000Z",
"spacegroup": 225
},
{
"id": "mp-24081",
"created_at": "2022-09-04T14:42:25.581713Z",
"structure_string": "Sc2 H2 Cl2\n1.0\n9.296586 -1.755061 0.000000\n9.296586 1.755061 0.000000\n8.965256 0.000000 3.021744\nSc H Cl\n2 2 2\ndirect\n0.878659 0.878659 0.878659 Sc\n0.121341 0.121341 0.121341 Sc\n0.806369 0.806369 0.806369 H\n0.193631 0.193631 0.193631 H\n0.396422 0.396422 0.396422 Cl\n0.603578 0.603578 0.603578 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"H",
"Cl"
],
"chemical_system": "Cl-H-Sc",
"density": 2.74214255411043,
"density_atomic": 0.06084822015918398,
"volume": 98.60600662276569,
"volume_molar": 9.896987527729786,
"formula_full": "Sc2 H2 Cl2",
"formula_reduced": "ScHCl",
"formula_anonymous": "ABC",
"energy": -32.89260883,
"energy_per_atom": -5.482101471666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"band_gap": 0.0,
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"total_magnetization": 1.19e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.386000Z",
"spacegroup": 166
},
{
"id": "mp-1636",
"created_at": "2022-09-04T14:43:08.102795Z",
"structure_string": "Mn3 Sb1\n1.0\n3.813382 0.000000 0.000000\n0.000000 3.813382 0.000000\n0.000000 0.000000 3.813382\nMn Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"Sb"
],
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"density": 8.581340818454315,
"density_atomic": 0.07213217946012374,
"volume": 55.453752124754374,
"volume_molar": 8.348757524135499,
"formula_full": "Mn3 Sb1",
"formula_reduced": "Mn3Sb",
"formula_anonymous": "AB3",
"energy": -31.49808109,
"energy_per_atom": -7.8745202725,
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"updated_at": "2021-11-28T01:36:04.752000Z",
"spacegroup": 221
},
{
"id": "mp-1179414",
"created_at": "2022-09-04T14:45:06.408868Z",
"structure_string": "Sn8\n1.0\n4.898588 2.262701 -1.654551\n-4.898588 2.262701 1.654551\n0.033039 0.000000 10.304749\nSn\n8\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.005470 0.005470 0.750000 Sn\n0.994530 0.994530 0.250000 Sn\n0.252093 0.757547 0.622318 Sn\n0.757547 0.252093 0.877682 Sn\n0.747907 0.242453 0.377682 Sn\n0.242453 0.747907 0.122318 Sn\n",
"nsites": 8,
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"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 6.895898152329875,
"density_atomic": 0.03498278944849267,
"volume": 228.68387930524798,
"volume_molar": 17.21458138398818,
"formula_full": "Sn8",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -31.3046811,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:52.486000Z",
"spacegroup": 71
},
{
"id": "mp-4692",
"created_at": "2022-09-04T14:45:04.448438Z",
"structure_string": "Dy1 Si2 Ni2\n1.0\n-1.982976 1.982976 4.753618\n1.982976 -1.982976 4.753618\n1.982976 1.982976 -4.753618\nDy Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.626666 0.626666 0.000000 Si\n0.373334 0.373334 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"Si",
"Ni"
],
"chemical_system": "Dy-Ni-Si",
"density": 7.463523269977499,
"density_atomic": 0.06687300177658799,
"volume": 74.7685892238575,
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"formula_full": "Dy1 Si2 Ni2",
"formula_reduced": "Dy(SiNi)2",
"formula_anonymous": "AB2C2",
"energy": -31.162190890000005,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:47.115000Z",
"spacegroup": 139
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{
"id": "mp-3939",
"created_at": "2022-09-04T14:43:05.124116Z",
"structure_string": "Sm1 Si2 Ni2\n1.0\n-2.009357 2.009357 4.785523\n2.009357 -2.009357 4.785523\n2.009357 2.009357 -4.785523\nSm Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.628804 0.628804 0.000000 Si\n0.371196 0.371196 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
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"volume": 77.2864941755517,
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"energy": -31.16105804,
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"updated_at": "2021-11-28T01:35:55.115000Z",
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{
"id": "mp-1021170",
"created_at": "2022-09-04T14:46:55.938132Z",
"structure_string": "Na2 Ce2 Mg12\n1.0\n5.196141 0.000000 0.000000\n0.000000 6.656599 0.000000\n0.000000 0.000000 11.665804\nNa Ce Mg\n2 2 12\ndirect\n0.500000 0.500000 0.165208 Na\n0.500000 0.000000 0.665208 Na\n0.500000 0.000000 0.170225 Ce\n0.500000 0.500000 0.670225 Ce\n0.500000 0.243746 0.422413 Mg\n0.500000 0.756254 0.422413 Mg\n0.000000 0.751801 0.074441 Mg\n0.000000 0.248199 0.074441 Mg\n0.000000 0.000000 0.339355 Mg\n0.000000 0.500000 0.331499 Mg\n0.500000 0.743746 0.922413 Mg\n0.500000 0.256254 0.922413 Mg\n0.000000 0.251801 0.574441 Mg\n0.000000 0.748199 0.574441 Mg\n0.000000 0.500000 0.839355 Mg\n0.000000 0.000000 0.831499 Mg\n",
"nsites": 16,
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"elements": [
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"Ce",
"Mg"
],
"chemical_system": "Ce-Mg-Na",
"density": 2.5427243948851608,
"density_atomic": 0.039652628793003415,
"volume": 403.5041430298097,
"volume_molar": 15.187242166054292,
"formula_full": "Na2 Ce2 Mg12",
"formula_reduced": "NaCeMg6",
"formula_anonymous": "ABC6",
"energy": -31.30203903,
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"updated_at": "2021-11-28T01:37:50.158000Z",
"spacegroup": 38
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{
"id": "mp-977430",
"created_at": "2022-09-04T14:47:09.567176Z",
"structure_string": "Mg1 Nb1 Ru2\n1.0\n0.000000 3.142042 3.142042\n3.142042 0.000000 3.142042\n3.142042 3.142042 0.000000\nMg Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
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"chemical_system": "Mg-Nb-Ru",
"density": 8.547752545381146,
"density_atomic": 0.06447539888848762,
"volume": 62.03916639458307,
"volume_molar": 9.340214816531024,
"formula_full": "Mg1 Nb1 Ru2",
"formula_reduced": "MgNbRu2",
"formula_anonymous": "ABC2",
"energy": -31.30023782,
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"updated_at": "2021-11-28T01:37:57.952000Z",
"spacegroup": 225
}
]
}