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{
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{
"id": "mp-8673",
"created_at": "2022-09-04T14:42:44.788334Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n5.013207 0.000000 0.000000\n0.000000 5.284900 0.000000\n0.000000 0.000000 8.636939\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.303505 Li\n0.500000 0.500000 0.803505 Li\n0.500000 0.000000 0.190490 Li\n0.000000 0.500000 0.690490 Li\n0.500000 0.000000 0.595632 Sn\n0.000000 0.500000 0.095632 Sn\n0.000000 0.000000 0.904749 Te\n0.500000 0.500000 0.404749 Te\n0.795274 0.838776 0.074380 O\n0.704726 0.338776 0.574380 O\n0.295274 0.661224 0.574380 O\n0.733779 0.338948 0.252191 O\n0.766221 0.838948 0.752191 O\n0.233779 0.161052 0.752191 O\n0.793712 0.311411 0.911191 O\n0.266221 0.661052 0.252191 O\n0.293712 0.188589 0.411191 O\n0.206288 0.688589 0.911191 O\n0.706288 0.811411 0.411191 O\n0.204726 0.161224 0.074380 O\n",
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"formula_full": "Li4 Sn2 Te2 O12",
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"spacegroup": 34
},
{
"id": "mp-1096918",
"created_at": "2022-09-04T14:42:44.790369Z",
"structure_string": "Cr8 N16\n1.0\n5.381642 0.000000 0.000000\n0.000000 9.331661 0.000000\n0.000000 6.140572 8.936023\nCr N\n8 16\ndirect\n0.770538 0.370962 0.326312 Cr\n0.270538 0.629038 0.173688 Cr\n0.229462 0.629038 0.673688 Cr\n0.729462 0.370962 0.826312 Cr\n0.594544 0.120077 0.202960 Cr\n0.094544 0.879923 0.297040 Cr\n0.405456 0.879923 0.797040 Cr\n0.905456 0.120077 0.702960 Cr\n0.668276 0.221263 0.293083 N\n0.168276 0.778737 0.206917 N\n0.331724 0.778737 0.706917 N\n0.831724 0.221263 0.793083 N\n0.848393 0.260899 0.514594 N\n0.348393 0.739101 0.985406 N\n0.151607 0.739101 0.485406 N\n0.651607 0.260899 0.014594 N\n0.533081 0.518319 0.279961 N\n0.033081 0.481681 0.220039 N\n0.466919 0.481681 0.720039 N\n0.966919 0.518319 0.779961 N\n0.781093 0.940663 0.271085 N\n0.281093 0.059337 0.228915 N\n0.218907 0.059337 0.728915 N\n0.718907 0.940663 0.771085 N\n",
"nsites": 24,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cr-N",
"density": 2.3684411906785683,
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"volume": 448.7640257972986,
"volume_molar": 11.26050054739835,
"formula_full": "Cr8 N16",
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"energy": -212.70461641000003,
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"spacegroup": 14
},
{
"id": "mp-1187374",
"created_at": "2022-09-04T14:42:44.793727Z",
"structure_string": "Sr1 Ac1 In2\n1.0\n0.000000 4.118818 4.118818\n4.118818 0.000000 4.118818\n4.118818 4.118818 0.000000\nSr Ac In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"Ac",
"In"
],
"chemical_system": "Ac-In-Sr",
"density": 6.467024723099133,
"density_atomic": 0.028622804852394226,
"volume": 139.7487080888025,
"volume_molar": 21.03965977847298,
"formula_full": "Sr1 Ac1 In2",
"formula_reduced": "SrAcIn2",
"formula_anonymous": "ABC2",
"energy": -12.96407565,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:55.809000Z",
"spacegroup": 225
},
{
"id": "mp-1200976",
"created_at": "2022-09-04T14:42:44.794359Z",
"structure_string": "Sn6 P4 N4 O20\n1.0\n3.360721 -10.722151 0.000000\n3.360721 10.722151 0.000000\n0.000000 0.000000 7.748690\nSn P N O\n6 4 4 20\ndirect\n0.892265 0.107735 0.953951 Sn\n0.107735 0.892265 0.453951 Sn\n0.491837 0.986942 0.806395 Sn\n0.013058 0.508163 0.806395 Sn\n0.508163 0.013058 0.306395 Sn\n0.986942 0.491837 0.306395 Sn\n0.846822 0.153178 0.528406 P\n0.153178 0.846822 0.028406 P\n0.638349 0.361651 0.553258 P\n0.361651 0.638349 0.053258 P\n0.361380 0.297140 0.904433 N\n0.702860 0.638620 0.904433 N\n0.638620 0.702860 0.404433 N\n0.297140 0.361380 0.404433 N\n0.784763 0.215237 0.908942 O\n0.215237 0.784763 0.408942 O\n0.896153 0.103847 0.669120 O\n0.103847 0.896153 0.169120 O\n0.473242 0.158508 0.438628 O\n0.841492 0.526758 0.438628 O\n0.526758 0.841492 0.938628 O\n0.158508 0.473242 0.938628 O\n0.609603 0.007501 0.555252 O\n0.992499 0.390397 0.555252 O\n0.390397 0.992499 0.055252 O\n0.007501 0.609603 0.055252 O\n0.687013 0.312987 0.711709 O\n0.312987 0.687013 0.211709 O\n0.864286 0.135714 0.340020 O\n0.135714 0.864286 0.840020 O\n0.571670 0.428330 0.601770 O\n0.428330 0.571670 0.101770 O\n0.549417 0.450583 0.961710 O\n0.450583 0.549417 0.461710 O\n",
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"elements": [
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"O"
],
"chemical_system": "N-O-P-Sn",
"density": 3.6044575354988444,
"density_atomic": 0.060884431608994614,
"volume": 558.4350399844595,
"volume_molar": 9.891101223831305,
"formula_full": "Sn6 P4 N4 O20",
"formula_reduced": "Sn3P2(NO5)2",
"formula_anonymous": "A2B2C3D10",
"energy": -227.67784526,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:50.946000Z",
"spacegroup": 36
},
{
"id": "mp-1247737",
"created_at": "2022-09-04T14:42:44.800483Z",
"structure_string": "La2 Fe18\n1.0\n7.398040 -0.000152 -4.156448\n-2.336390 7.019397 -4.157276\n-0.995907 -1.381657 6.889840\nLa Fe\n2 18\ndirect\n0.250468 0.250539 0.501028 La\n0.749532 0.749461 0.498972 La\n0.580196 0.724168 0.000020 Fe\n0.846277 0.346093 0.378616 Fe\n0.000000 0.500000 0.000000 Fe\n0.346844 0.534130 0.381206 Fe\n0.965648 0.152913 0.618776 Fe\n0.920378 0.224866 0.000026 Fe\n0.153723 0.653907 0.621384 Fe\n0.419804 0.275832 0.999980 Fe\n0.467691 0.967537 0.621487 Fe\n0.775820 0.920165 0.000010 Fe\n0.034352 0.847087 0.381224 Fe\n0.224180 0.079835 0.999990 Fe\n0.079622 0.775134 0.999974 Fe\n0.275060 0.579693 0.999958 Fe\n0.500000 0.000000 0.000000 Fe\n0.532309 0.032463 0.378513 Fe\n0.653156 0.465870 0.618794 Fe\n0.724940 0.420307 0.000042 Fe\n",
"nsites": 20,
"nelements": 2,
"elements": [
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"Fe"
],
"chemical_system": "Fe-La",
"density": 7.809280397611645,
"density_atomic": 0.07330914771348652,
"volume": 272.8172489218647,
"volume_molar": 8.214719373817138,
"formula_full": "La2 Fe18",
"formula_reduced": "LaFe9",
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"energy": -158.032169,
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"updated_at": "2021-11-28T01:35:56.874000Z",
"spacegroup": 140
},
{
"id": "mp-1222027",
"created_at": "2022-09-04T14:42:44.811114Z",
"structure_string": "Mn10 C3 N1\n1.0\n1.404448 -2.432575 0.000000\n1.404448 2.432575 0.000000\n0.000000 0.000000 21.955204\nMn C N\n10 3 1\ndirect\n0.666667 0.333333 0.949133 Mn\n0.666667 0.333333 0.749578 Mn\n0.666667 0.333333 0.549524 Mn\n0.666667 0.333333 0.349410 Mn\n0.666667 0.333333 0.148838 Mn\n0.333333 0.666667 0.850632 Mn\n0.333333 0.666667 0.650305 Mn\n0.333333 0.666667 0.450428 Mn\n0.333333 0.666667 0.250766 Mn\n0.333333 0.666667 0.051097 Mn\n0.000000 0.000000 0.799798 C\n0.000000 0.000000 0.600012 C\n0.000000 0.000000 0.400147 C\n0.000000 0.000000 0.200333 N\n",
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],
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"density": 6.6349920660796595,
"density_atomic": 0.09332299329411332,
"volume": 150.01661976141415,
"volume_molar": 6.453008575304526,
"formula_full": "Mn10 C3 N1",
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"formula_anonymous": "AB3C10",
"energy": -127.14313581000002,
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"spacegroup": 156
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{
"id": "mp-1046565",
"created_at": "2022-09-04T14:42:44.906954Z",
"structure_string": "Sr4 Y2 Ga2 Co4 O14\n1.0\n-5.526570 0.000000 0.000000\n-0.009940 -5.681219 0.000000\n2.752773 2.821792 11.321783\nSr Y Ga Co O\n4 2 2 4 14\ndirect\n0.841411 0.821182 0.697461 Sr\n0.144026 0.170470 0.300446 Sr\n0.340129 0.368668 0.698240 Sr\n0.641305 0.622432 0.300475 Sr\n0.501022 0.496672 0.000265 Y\n0.999466 0.997354 0.000936 Y\n0.707665 0.170199 0.496621 Ga\n0.207619 0.820988 0.499506 Ga\n0.578002 0.070988 0.158554 Co\n0.927635 0.422075 0.855859 Co\n0.075809 0.577416 0.154284 Co\n0.418426 0.921608 0.841206 Co\n0.680026 0.673227 0.872931 O\n0.363960 0.120736 0.499289 O\n0.179321 0.693942 0.876008 O\n0.203027 0.621756 0.352651 O\n0.821682 0.817863 0.127275 O\n0.324188 0.804076 0.131109 O\n0.862395 0.868950 0.497981 O\n0.304640 0.299524 0.124225 O\n0.805806 0.318648 0.125612 O\n0.697272 0.216996 0.347868 O\n0.853993 0.374269 0.640348 O\n0.346986 0.775555 0.649316 O\n0.693014 0.172717 0.871015 O\n0.191034 0.189274 0.869061 O\n",
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"elements": [
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],
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"volume": 355.4774308315092,
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"formula_full": "Sr4 Y2 Ga2 Co4 O14",
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"energy": -189.03463308,
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}
]
}