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{
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"results": [
{
"id": "mp-1235234",
"created_at": "2022-09-04T14:41:58.880914Z",
"structure_string": "Li1 Mn6 O5 F7\n1.0\n-4.543223 4.543222 3.125520\n0.521369 5.077551 -3.143529\n-5.077571 -0.521385 -3.143553\nLi Mn O F\n1 6 5 7\ndirect\n0.833352 0.363128 0.970236 Li\n0.833325 0.698881 0.634450 Mn\n0.672054 0.296168 0.400306 Mn\n0.333330 0.737170 0.596156 Mn\n0.165160 0.302412 0.327076 Mn\n0.501508 0.006258 0.030923 Mn\n0.994643 0.933037 0.037150 Mn\n0.631851 0.592680 0.543893 O\n0.961686 0.207754 0.235296 O\n0.704991 0.098034 0.125570 O\n0.034808 0.789438 0.740653 O\n0.333331 0.992764 0.340572 O\n0.649998 0.030625 0.676071 F\n0.333325 0.344358 0.988971 F\n0.299567 0.895999 0.914039 F\n0.367094 0.419296 0.437335 F\n0.687203 0.659639 0.983231 F\n0.979449 0.350098 0.673700 F\n0.016658 0.657261 0.302706 F\n",
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"elements": [
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"density": 3.80776156510165,
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"volume": 239.6572591474255,
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"formula_full": "Li1 Mn6 O5 F7",
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"energy": -140.84718845,
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"updated_at": "2021-11-28T01:35:37.311000Z",
"spacegroup": 5
},
{
"id": "mp-1176519",
"created_at": "2022-09-04T14:41:59.017913Z",
"structure_string": "Li4 V4 O8\n1.0\n2.953414 -0.000553 -0.000677\n1.475884 -2.579426 10.081539\n0.001119 -5.162684 -0.001946\nLi V O\n4 4 8\ndirect\n0.380299 0.240213 0.048013 Li\n0.880372 0.240042 0.546973 Li\n0.630903 0.740165 0.963681 Li\n0.130916 0.740125 0.463812 Li\n0.249629 0.499653 0.916607 V\n0.000235 0.999621 0.333215 V\n0.749637 0.499641 0.416628 V\n0.500252 0.999689 0.833293 V\n0.056622 0.887169 0.727453 O\n0.556751 0.887004 0.227561 O\n0.805612 0.386978 0.134662 O\n0.305539 0.387138 0.634649 O\n0.442825 0.114169 0.438548 O\n0.942875 0.114186 0.938665 O\n0.192772 0.614174 0.197053 O\n0.692742 0.614272 0.697168 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Li-O-V",
"density": 3.8832495483498914,
"density_atomic": 0.10407270653384405,
"volume": 153.738674940647,
"volume_molar": 5.786474629677881,
"formula_full": "Li4 V4 O8",
"formula_reduced": "LiVO2",
"formula_anonymous": "ABC2",
"energy": -122.65660987,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.836000Z",
"spacegroup": 186
},
{
"id": "mp-1516413",
"created_at": "2022-09-04T14:41:59.479141Z",
"structure_string": "Na1 Sr1 Nd1 Fe1 O6\n1.0\n0.000000 -4.142893 -4.142893\n4.142893 -0.000000 -4.142893\n4.142893 -4.142893 -0.000000\nNa Sr Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nd\n-0.000000 -0.000000 -0.000000 Fe\n0.775427 0.224573 0.224573 O\n0.224573 0.775427 0.775427 O\n0.775427 0.224573 0.775427 O\n0.224573 0.775427 0.224573 O\n0.775427 0.775427 0.224573 O\n0.224573 0.224573 0.775427 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nd",
"Fe",
"O"
],
"chemical_system": "Fe-Na-Nd-O-Sr",
"density": 4.748701048172266,
"density_atomic": 0.07031676042104082,
"volume": 142.21360512233878,
"volume_molar": 8.564303480337811,
"formula_full": "Na1 Sr1 Nd1 Fe1 O6",
"formula_reduced": "NaSrNdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -67.55819069,
"energy_per_atom": -6.755819069,
"energy_above_hull": null,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:35.901000Z",
"spacegroup": 216
},
{
"id": "mp-1110617",
"created_at": "2022-09-04T14:41:51.915886Z",
"structure_string": "Na2 Mn1 Tl1 F6\n1.0\n6.342561 0.000000 0.000000\n3.171281 5.492819 0.000000\n3.171281 1.830940 5.178680\nNa Mn Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n0.218432 0.781568 0.218432 F\n0.781568 0.781568 0.218432 F\n0.781568 0.218432 0.781568 F\n0.781568 0.218432 0.218432 F\n0.218432 0.781568 0.781568 F\n0.218432 0.218432 0.781568 F\n",
"nsites": 10,
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"elements": [
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"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Na-Tl",
"density": 3.8590991283849996,
"density_atomic": 0.05542695022048075,
"volume": 180.41764809756594,
"volume_molar": 10.865004724316881,
"formula_full": "Na2 Mn1 Tl1 F6",
"formula_reduced": "Na2MnTlF6",
"formula_anonymous": "ABC2D6",
"energy": -50.86190867,
"energy_per_atom": -5.086190867,
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"updated_at": "2021-11-28T01:35:31.663000Z",
"spacegroup": 225
},
{
"id": "mp-771023",
"created_at": "2022-09-04T14:41:52.027164Z",
"structure_string": "Li6 Mn3 Sb3 O16\n1.0\n3.015679 5.286413 0.000000\n-3.015679 5.286413 0.000000\n0.000000 0.043567 10.030165\nLi Mn Sb O\n6 3 3 16\ndirect\n0.668893 0.668893 0.506401 Li\n0.663908 0.663908 0.874199 Li\n0.986580 0.986580 0.997699 Li\n0.993256 0.993256 0.506611 Li\n0.341699 0.341699 0.994255 Li\n0.330842 0.330842 0.382215 Li\n0.834062 0.834062 0.218772 Mn\n0.664254 0.168657 0.716184 Mn\n0.168657 0.664254 0.716184 Mn\n0.833411 0.338464 0.214517 Sb\n0.338464 0.833411 0.214517 Sb\n0.169618 0.169618 0.716880 Sb\n0.843588 0.306236 0.611990 O\n0.513960 0.513960 0.328886 O\n0.653667 0.653667 0.094540 O\n0.016365 0.016365 0.327695 O\n0.995032 0.995032 0.816244 O\n0.306236 0.843588 0.611990 O\n0.969603 0.515667 0.320433 O\n0.515667 0.969603 0.320433 O\n0.153425 0.153425 0.099275 O\n0.848786 0.848786 0.617436 O\n0.490900 0.030561 0.822575 O\n0.030561 0.490900 0.822575 O\n0.339319 0.339319 0.608918 O\n0.695812 0.153297 0.114653 O\n0.480702 0.480702 0.817111 O\n0.153297 0.695812 0.114653 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.297875195349603,
"density_atomic": 0.08755354945544712,
"volume": 319.8042817698465,
"volume_molar": 6.878237144531134,
"formula_full": "Li6 Mn3 Sb3 O16",
"formula_reduced": "Li6Mn3Sb3O16",
"formula_anonymous": "A3B3C6D16",
"energy": -187.84416301,
"energy_per_atom": -6.7087201075,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.191000Z",
"spacegroup": 8
},
{
"id": "mp-1332615",
"created_at": "2022-09-04T14:41:51.905199Z",
"structure_string": "Ca12 Ge12 Mo8 O48\n1.0\n-6.368724 6.368724 6.368724\n6.368724 -6.368724 6.368724\n6.368724 6.368724 -6.368724\nCa Ge Mo O\n12 12 8 48\ndirect\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.250000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.125000 0.250000 0.375000 Ca\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.412051 0.808584 0.789279 O\n0.877228 0.396533 0.087949 O\n0.103467 0.980695 0.691416 O\n0.519305 0.622772 0.710721 O\n0.691416 0.087949 0.710721 O\n0.622772 0.710721 0.519305 O\n0.622772 0.412051 0.103467 O\n0.710721 0.519305 0.622772 O\n0.808584 0.519305 0.396533 O\n0.980695 0.789279 0.877228 O\n0.789279 0.877228 0.980695 O\n0.710721 0.691416 0.087949 O\n0.412051 0.103467 0.622772 O\n0.396533 0.808584 0.519305 O\n0.087949 0.710721 0.691416 O\n0.103467 0.622772 0.412051 O\n0.519305 0.396533 0.808584 O\n0.087949 0.877228 0.396533 O\n0.980695 0.691416 0.103467 O\n0.191416 0.480695 0.603467 O\n0.691416 0.103467 0.980695 O\n0.789279 0.412051 0.808584 O\n0.396533 0.087949 0.877228 O\n0.877228 0.980695 0.789279 O\n0.587949 0.191416 0.210721 O\n0.122772 0.603467 0.912051 O\n0.896533 0.019305 0.308584 O\n0.480695 0.377228 0.289279 O\n0.308584 0.912051 0.289279 O\n0.377228 0.289279 0.480695 O\n0.377228 0.587949 0.896533 O\n0.289279 0.480695 0.377228 O\n0.122772 0.019305 0.210721 O\n0.603467 0.912051 0.122772 O\n0.210721 0.587949 0.191416 O\n0.191416 0.210721 0.587949 O\n0.308584 0.896533 0.019305 O\n0.019305 0.308584 0.896533 O\n0.912051 0.122772 0.603467 O\n0.480695 0.603467 0.191416 O\n0.896533 0.377228 0.587949 O\n0.912051 0.289279 0.308584 O\n0.603467 0.191416 0.480695 O\n0.587949 0.896533 0.377228 O\n0.289279 0.308584 0.912051 O\n0.210721 0.122772 0.019305 O\n0.019305 0.210721 0.122772 O\n0.808584 0.789279 0.412051 O\n",
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"elements": [
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"O"
],
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"density": 4.641358665631995,
"density_atomic": 0.07742348403616289,
"volume": 1033.2782229566635,
"volume_molar": 7.7781836286096135,
"formula_full": "Ca12 Ge12 Mo8 O48",
"formula_reduced": "Ca3Ge3(MoO6)2",
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"energy": -608.3967696899999,
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"updated_at": "2021-11-28T01:35:31.221000Z",
"spacegroup": 230
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{
"id": "mp-12826",
"created_at": "2022-09-04T14:41:51.907480Z",
"structure_string": "Sb8 Te3\n1.0\n21.645505 -2.187484 0.000000\n21.645505 2.187484 0.000000\n21.424439 0.000000 3.782379\nSb Te\n8 3\ndirect\n0.178389 0.178389 0.178389 Sb\n0.363719 0.363719 0.363719 Sb\n0.636281 0.636281 0.636281 Sb\n0.821611 0.821611 0.821611 Sb\n0.547701 0.547701 0.547701 Sb\n0.095361 0.095361 0.095361 Sb\n0.904639 0.904639 0.904639 Sb\n0.452299 0.452299 0.452299 Sb\n0.276835 0.276835 0.276835 Te\n0.723164 0.723165 0.723164 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 11,
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"elements": [
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],
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"density": 6.290467046902225,
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"volume": 358.1852081711143,
"volume_molar": 19.609470379603202,
"formula_full": "Sb8 Te3",
"formula_reduced": "Sb8Te3",
"formula_anonymous": "A3B8",
"energy": -44.44834594999999,
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"updated_at": "2021-11-28T01:35:26.956000Z",
"spacegroup": 166
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{
"id": "mp-1111350",
"created_at": "2022-09-04T14:41:59.036840Z",
"structure_string": "Na1 Li2 As1 F6\n1.0\n0.000000 4.225059 4.225059\n4.225059 0.000000 4.225059\n4.225059 4.225059 0.000000\nNa Li As F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 As\n0.241716 0.241716 0.758284 F\n0.241716 0.758284 0.758284 F\n0.758284 0.758284 0.241716 F\n0.241716 0.758284 0.241716 F\n0.758284 0.241716 0.758284 F\n0.758284 0.241716 0.241716 F\n",
"nsites": 10,
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"elements": [
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"As",
"F"
],
"chemical_system": "As-F-Li-Na",
"density": 2.4854986057387722,
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"volume": 150.84410045949375,
"volume_molar": 9.08404405782652,
"formula_full": "Na1 Li2 As1 F6",
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"formula_anonymous": "ABC2D6",
"energy": -46.40776534,
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"updated_at": "2021-11-28T01:35:35.376000Z",
"spacegroup": 225
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{
"id": "mp-973133",
"created_at": "2022-09-04T14:41:59.488391Z",
"structure_string": "Sc1 Cu1 Pd2\n1.0\n0.000000 3.154812 3.154812\n3.154812 0.000000 3.154812\n3.154812 3.154812 0.000000\nSc Cu Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 8.497007918202092,
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"volume": 62.79867027884864,
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"formula_full": "Sc1 Cu1 Pd2",
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"spacegroup": 225
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{
"id": "mp-1022676",
"created_at": "2022-09-04T14:41:51.918176Z",
"structure_string": "Mg12 Zn2 Ni2\n1.0\n4.832255 0.000000 0.000000\n0.000000 6.057038 0.000000\n0.000000 0.000000 10.450335\nMg Zn Ni\n12 2 2\ndirect\n0.000000 0.263726 0.091824 Mg\n0.000000 0.736274 0.091824 Mg\n0.000000 0.500000 0.833860 Mg\n0.500000 0.243602 0.911404 Mg\n0.500000 0.756398 0.911404 Mg\n0.500000 0.500000 0.665605 Mg\n0.000000 0.763726 0.591824 Mg\n0.000000 0.236274 0.591824 Mg\n0.000000 0.000000 0.333860 Mg\n0.500000 0.743602 0.411404 Mg\n0.500000 0.256398 0.411404 Mg\n0.500000 0.000000 0.165605 Mg\n0.000000 0.500000 0.329019 Zn\n0.000000 0.000000 0.829019 Zn\n0.500000 0.500000 0.165060 Ni\n0.500000 0.000000 0.665060 Ni\n",
"nsites": 16,
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"elements": [
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"density": 2.9308510950164095,
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"volume": 305.8724452451844,
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"formula_full": "Mg12 Zn2 Ni2",
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"formula_anonymous": "ABC6",
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},
{
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"created_at": "2022-09-04T14:41:51.943995Z",
"structure_string": "Mg16 Si4 N16\n1.0\n5.223452 0.000000 0.000000\n0.000000 10.274806 0.000000\n0.000000 0.000000 8.374979\nMg Si N\n16 4 16\ndirect\n0.148941 0.370731 0.608471 Mg\n0.351059 0.629269 0.608471 Mg\n0.148941 0.129269 0.891529 Mg\n0.351059 0.870731 0.891529 Mg\n0.851059 0.629269 0.391529 Mg\n0.648941 0.370731 0.391529 Mg\n0.851059 0.870731 0.108471 Mg\n0.648941 0.129269 0.108471 Mg\n0.750000 0.500000 0.054234 Mg\n0.750000 0.000000 0.445766 Mg\n0.250000 0.500000 0.945766 Mg\n0.250000 0.000000 0.554234 Mg\n0.692002 0.250000 0.750000 Mg\n0.807998 0.750000 0.750000 Mg\n0.307998 0.750000 0.250000 Mg\n0.192002 0.250000 0.250000 Mg\n0.750000 0.500000 0.734001 Si\n0.750000 0.000000 0.765999 Si\n0.250000 0.500000 0.265999 Si\n0.250000 0.000000 0.234001 Si\n0.535590 0.399845 0.627140 N\n0.964410 0.600155 0.627140 N\n0.535590 0.100155 0.872860 N\n0.964410 0.899845 0.872860 N\n0.464410 0.600155 0.372860 N\n0.035590 0.399845 0.372860 N\n0.464410 0.899845 0.127140 N\n0.035590 0.100155 0.127140 N\n0.946021 0.107292 0.651659 N\n0.553979 0.892707 0.651659 N\n0.946021 0.392707 0.848341 N\n0.553979 0.607293 0.848341 N\n0.053979 0.892707 0.348341 N\n0.446021 0.107292 0.348341 N\n0.053979 0.607293 0.151659 N\n0.446021 0.392707 0.151659 N\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-N-Si",
"density": 2.679595830531993,
"density_atomic": 0.08009170428685018,
"volume": 449.48475401478805,
"volume_molar": 7.519056828197302,
"formula_full": "Mg16 Si4 N16",
"formula_reduced": "Mg4SiN4",
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"updated_at": "2021-11-28T01:35:32.853000Z",
"spacegroup": 52
},
{
"id": "mp-1096587",
"created_at": "2022-09-04T14:41:51.955231Z",
"structure_string": "Sc2 Tl1 Pd1\n1.0\n-5.196454 6.268789 8.842698\n5.196454 -6.268789 8.842698\n5.196454 6.268789 -8.842698\nSc Tl Pd\n2 1 1\ndirect\n0.000000 0.229323 0.229323 Sc\n0.000000 0.770677 0.770677 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n",
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"elements": [
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],
"chemical_system": "Pd-Sc-Tl",
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"volume": 1152.2203036318163,
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"formula_full": "Sc2 Tl1 Pd1",
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"updated_at": "2021-11-28T01:35:30.375000Z",
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}
]
}