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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=106",
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"results": [
{
"id": "mp-1188539",
"created_at": "2022-09-04T14:46:53.792291Z",
"structure_string": "Sr6 Tl10\n1.0\n5.385443 4.296089 0.000000\n-5.385443 4.296089 0.000000\n0.000000 0.000000 11.585532\nSr Tl\n6 10\ndirect\n0.608586 0.608586 0.750000 Sr\n0.391414 0.391414 0.250000 Sr\n0.793216 0.206784 0.000000 Sr\n0.793216 0.206784 0.500000 Sr\n0.206784 0.793216 0.000000 Sr\n0.206784 0.793216 0.500000 Sr\n0.013681 0.013681 0.250000 Tl\n0.986319 0.986319 0.750000 Tl\n0.917471 0.521287 0.250000 Tl\n0.478713 0.082529 0.750000 Tl\n0.082529 0.478713 0.750000 Tl\n0.521287 0.917471 0.250000 Tl\n0.693011 0.693011 0.042076 Tl\n0.306989 0.306989 0.957924 Tl\n0.693011 0.693011 0.457924 Tl\n0.306989 0.306989 0.542076 Tl\n",
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"elements": [
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"formula_full": "Sr6 Tl10",
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"spacegroup": 63
},
{
"id": "mp-1187142",
"created_at": "2022-09-04T14:47:16.264966Z",
"structure_string": "Sr3 Ti1\n1.0\n-2.753559 2.753559 5.522682\n2.753559 -2.753559 5.522682\n2.753559 2.753559 -5.522682\nSr Ti\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Sr-Ti",
"density": 3.080557278603197,
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"formula_full": "Sr3 Ti1",
"formula_reduced": "Sr3Ti",
"formula_anonymous": "AB3",
"energy": -10.87559027,
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"updated_at": "2021-11-28T01:38:03.723000Z",
"spacegroup": 139
},
{
"id": "mp-1187140",
"created_at": "2022-09-04T14:47:16.174663Z",
"structure_string": "Sr3 Th1\n1.0\n0.000000 4.484763 4.484763\n4.484763 0.000000 4.484763\n4.484763 4.484763 0.000000\nSr Th\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Th"
],
"chemical_system": "Sr-Th",
"density": 4.5552934669079574,
"density_atomic": 0.022172338659244895,
"volume": 180.40496591153118,
"volume_molar": 27.160602463056062,
"formula_full": "Sr3 Th1",
"formula_reduced": "Sr3Th",
"formula_anonymous": "AB3",
"energy": -10.87004222,
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"energy_above_hull": null,
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"energy_uncorrected": -10.87004222,
"band_gap": 0.0,
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"total_magnetization": 0.0267208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.777000Z",
"spacegroup": 225
},
{
"id": "mp-1187156",
"created_at": "2022-09-04T14:39:21.322922Z",
"structure_string": "Sr3 Th1\n1.0\n-2.874393 2.874393 5.567190\n2.874393 -2.874393 5.567190\n2.874393 2.874393 -5.567190\nSr Th\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Sr-Th",
"density": 4.466594440209873,
"density_atomic": 0.02174060690080118,
"volume": 183.98750404031236,
"volume_molar": 27.699966185295747,
"formula_full": "Sr3 Th1",
"formula_reduced": "Sr3Th",
"formula_anonymous": "AB3",
"energy": -10.86311225,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.941000Z",
"spacegroup": 139
},
{
"id": "mp-1186782",
"created_at": "2022-09-04T14:46:59.260927Z",
"structure_string": "Sr2 Th6\n1.0\n3.688480 -6.388634 0.000000\n3.688480 6.388634 0.000000\n0.000000 0.000000 5.974948\nSr Th\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160817 0.321635 0.250000 Th\n0.678365 0.839183 0.250000 Th\n0.160817 0.839183 0.250000 Th\n0.839183 0.678365 0.750000 Th\n0.321635 0.160817 0.750000 Th\n0.839183 0.160817 0.750000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Th"
],
"chemical_system": "Sr-Th",
"density": 9.243326922202659,
"density_atomic": 0.02840994676814452,
"volume": 281.59151670675544,
"volume_molar": 21.19729688037466,
"formula_full": "Sr2 Th6",
"formula_reduced": "SrTh3",
"formula_anonymous": "AB3",
"energy": -45.25072417,
"energy_per_atom": -5.65634052125,
"energy_above_hull": null,
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"energy_uncorrected": -45.25072417,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.173000Z",
"spacegroup": 194
},
{
"id": "mp-1958",
"created_at": "2022-09-04T14:39:42.445874Z",
"structure_string": "Sr1 Te1\n1.0\n0.000000 3.362074 3.362074\n3.362074 0.000000 3.362074\n3.362074 3.362074 0.000000\nSr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Te"
],
"chemical_system": "Sr-Te",
"density": 4.701970764493499,
"density_atomic": 0.026313474401050127,
"volume": 76.00668651799867,
"volume_molar": 22.886148245629116,
"formula_full": "Sr1 Te1",
"formula_reduced": "SrTe",
"formula_anonymous": "AB",
"energy": -8.74098592,
"energy_per_atom": -4.37049296,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -8.31898592,
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"total_magnetization": 0.0002466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.155000Z",
"spacegroup": 225
},
{
"id": "mp-10653",
"created_at": "2022-09-04T14:42:40.618487Z",
"structure_string": "Sr1 Te1\n1.0\n4.087916 0.000000 0.000000\n0.000000 4.087916 0.000000\n0.000000 0.000000 4.087916\nSr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Te"
],
"chemical_system": "Sr-Te",
"density": 5.231495245959552,
"density_atomic": 0.029276833721147318,
"volume": 68.31339819904619,
"volume_molar": 20.569644987429335,
"formula_full": "Sr1 Te1",
"formula_reduced": "SrTe",
"formula_anonymous": "AB",
"energy": -8.257898280000001,
"energy_per_atom": -4.1289491400000005,
"energy_above_hull": null,
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"energy_uncorrected": -7.83589828,
"band_gap": 0.4699,
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"total_magnetization": 0.0001346,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.616000Z",
"spacegroup": 221
},
{
"id": "mp-1186770",
"created_at": "2022-09-04T14:47:34.015621Z",
"structure_string": "Sr1 Tb1\n1.0\n1.907664 -3.304171 0.000000\n1.907664 3.304171 0.000000\n0.000000 0.000000 6.357769\nSr Tb\n1 1\ndirect\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.000000 Tb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Tb"
],
"chemical_system": "Sr-Tb",
"density": 5.107951605772764,
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"volume": 80.14919031356676,
"volume_molar": 24.133485293416378,
"formula_full": "Sr1 Tb1",
"formula_reduced": "SrTb",
"formula_anonymous": "AB",
"energy": -5.83782703,
"energy_per_atom": -2.918913515,
"energy_above_hull": null,
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"energy_uncorrected": -5.83782703,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.630802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.973000Z",
"spacegroup": 187
},
{
"id": "mp-1186777",
"created_at": "2022-09-04T14:46:14.833167Z",
"structure_string": "Sr1 Tb3\n1.0\n-2.602345 2.602345 5.227019\n2.602345 -2.602345 5.227019\n2.602345 2.602345 -5.227019\nSr Tb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
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"density": 6.61895227555418,
"density_atomic": 0.028249852068159886,
"volume": 141.59366181277665,
"volume_molar": 21.31742405400944,
"formula_full": "Sr1 Tb3",
"formula_reduced": "SrTb3",
"formula_anonymous": "AB3",
"energy": -14.78875657,
"energy_per_atom": -3.6971891425,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:31.890000Z",
"spacegroup": 139
},
{
"id": "mp-1187160",
"created_at": "2022-09-04T14:42:49.096914Z",
"structure_string": "Sr6 Tb2\n1.0\n4.068609 -7.047038 0.000000\n4.068609 7.047038 0.000000\n0.000000 0.000000 6.535772\nSr Tb\n6 2\ndirect\n0.171749 0.343499 0.250000 Sr\n0.656501 0.828251 0.250000 Sr\n0.171749 0.828251 0.250000 Sr\n0.828251 0.656501 0.750000 Sr\n0.343499 0.171749 0.750000 Sr\n0.828251 0.171749 0.750000 Sr\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n",
"nsites": 8,
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"elements": [
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"density": 3.7375854150779406,
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"volume": 374.7826329635593,
"volume_molar": 28.212422126374626,
"formula_full": "Sr6 Tb2",
"formula_reduced": "Sr3Tb",
"formula_anonymous": "AB3",
"energy": -17.73819486,
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"updated_at": "2021-11-28T01:36:01.646000Z",
"spacegroup": 194
},
{
"id": "mp-1187141",
"created_at": "2022-09-04T14:46:16.816499Z",
"structure_string": "Sr3 Ta1\n1.0\n-2.699888 2.699888 5.313731\n2.699888 -2.699888 5.313731\n2.699888 2.699888 -5.313731\nSr Ta\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
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"elements": [
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"volume": 154.9355412485866,
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"formula_full": "Sr3 Ta1",
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"energy": -13.31086602,
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"updated_at": "2021-11-28T01:37:31.836000Z",
"spacegroup": 139
},
{
"id": "mp-867202",
"created_at": "2022-09-04T14:41:01.748128Z",
"structure_string": "Sr4\n1.0\n2.132170 -3.693026 0.000000\n2.132170 3.693026 0.000000\n0.000000 0.000000 13.914315\nSr\n4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.750000 Sr\n",
"nsites": 4,
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"elements": [
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"density": 2.6559281214660855,
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"volume": 219.127064229701,
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"formula_full": "Sr4",
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"formula_anonymous": "A",
"energy": -6.7262302,
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"updated_at": "2021-11-28T01:35:09.496000Z",
"spacegroup": 194
}
]
}