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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=969",
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"results": [
{
"id": "jvasp-22821",
"created_at": "2022-09-04T14:37:33.094809Z",
"updated_at": "2022-09-04T14:37:33.094825Z",
"structure_string": "Sr6 Mg2 Rh2 O12\n1.0\n6.686741 0.001725 -0.304789\n-0.319076 6.679123 -0.304789\n0.001643 0.001725 6.693683\nSr Mg Rh O\n6 2 2 12\ndirect\n0.883373 0.249999 0.616626 Sr\n0.383373 0.116625 0.750000 Sr\n0.750000 0.383373 0.116626 Sr\n0.116626 0.749999 0.383373 Sr\n0.616626 0.883373 0.250000 Sr\n0.249999 0.616625 0.883373 Sr\n0.749999 0.749999 0.749999 Mg\n0.250000 0.250000 0.250000 Mg\n0.499999 0.499999 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.093436 0.287519 0.963229 O\n0.787519 0.593436 0.463229 O\n0.536770 0.212479 0.406563 O\n0.406563 0.536770 0.212480 O\n0.212480 0.406563 0.536770 O\n0.712480 0.036769 0.906563 O\n0.906563 0.712479 0.036770 O\n0.036770 0.906562 0.712480 O\n0.463229 0.787519 0.593436 O\n0.593436 0.463228 0.787519 O\n0.963229 0.093436 0.287519 O\n0.287519 0.963229 0.093436 O\n",
"nsites": 22,
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"elements": [
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"O"
],
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"density": 5.399586413297677,
"density_atomic": 0.07358817558177544,
"volume": 298.96107392351814,
"volume_molar": 8.183571222400872,
"formula_full": "Sr6 Mg2 Rh2 O12",
"formula_reduced": "Sr3MgRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3983183618181816,
"spacegroup": 167
},
{
"id": "jvasp-95938",
"created_at": "2022-09-04T14:35:42.119437Z",
"updated_at": "2022-09-04T14:35:42.119465Z",
"structure_string": "Sr6 Mg2 Pt2 O12\n1.0\n6.716036 0.007834 -0.260179\n-0.270756 6.710580 -0.260179\n0.007515 0.007834 6.721069\nSr Mg Pt O\n6 2 2 12\ndirect\n0.884043 0.249999 0.615958 Sr\n0.384043 0.115957 0.750000 Sr\n0.750000 0.384042 0.115958 Sr\n0.115958 0.750000 0.384042 Sr\n0.615958 0.884042 0.250000 Sr\n0.250000 0.615957 0.884042 Sr\n0.750001 0.749999 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.499999 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.094989 0.289463 0.964754 O\n0.789464 0.594988 0.464753 O\n0.535247 0.210536 0.405011 O\n0.405011 0.535246 0.210536 O\n0.210536 0.405011 0.535246 O\n0.710537 0.035246 0.905011 O\n0.905011 0.710536 0.035246 O\n0.035246 0.905011 0.710536 O\n0.464754 0.789463 0.594989 O\n0.594989 0.464753 0.789464 O\n0.964754 0.094988 0.289464 O\n0.289464 0.964753 0.094989 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Pt",
"O"
],
"chemical_system": "Mg-O-Pt-Sr",
"density": 6.3389920768076164,
"density_atomic": 0.07261922504507197,
"volume": 302.95007949128404,
"volume_molar": 8.292763736135008,
"formula_full": "Sr6 Mg2 Pt2 O12",
"formula_reduced": "Sr3MgPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3711436709090907,
"spacegroup": 167
},
{
"id": "jvasp-22415",
"created_at": "2022-09-04T14:37:11.885496Z",
"updated_at": "2022-09-04T14:37:11.885525Z",
"structure_string": "Sr6 Mg2 Ir2 O12\n1.0\n6.713100 0.009713 -0.271692\n-0.283302 6.707126 -0.271692\n0.009299 0.009713 6.718588\nSr Mg Ir O\n6 2 2 12\ndirect\n0.884453 0.249999 0.615547 Sr\n0.384453 0.115546 0.750000 Sr\n0.750000 0.384453 0.115547 Sr\n0.115547 0.750000 0.384454 Sr\n0.615547 0.884453 0.250001 Sr\n0.250000 0.615547 0.884454 Sr\n0.750000 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.095554 0.288520 0.963869 O\n0.788521 0.595553 0.463869 O\n0.536131 0.211479 0.404447 O\n0.404447 0.536131 0.211480 O\n0.211480 0.404446 0.536132 O\n0.711480 0.036130 0.904447 O\n0.904447 0.711479 0.036132 O\n0.036132 0.904447 0.711480 O\n0.463869 0.788520 0.595554 O\n0.595554 0.463868 0.788521 O\n0.963869 0.095553 0.288521 O\n0.288521 0.963869 0.095554 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sr",
"density": 6.315645172436947,
"density_atomic": 0.07271227883241835,
"volume": 302.562378091655,
"volume_molar": 8.282151043401301,
"formula_full": "Sr6 Mg2 Ir2 O12",
"formula_reduced": "Sr3MgIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.590688189090909,
"spacegroup": 167
},
{
"id": "jvasp-11587",
"created_at": "2022-09-04T14:37:13.290664Z",
"updated_at": "2022-09-04T14:37:13.290682Z",
"structure_string": "Sr3 Mg1 Fe2 S2 O5\n1.0\n3.874221 0.000000 -0.000000\n-0.000000 3.874221 0.000000\n-1.937110 -1.937110 13.662099\nSr Mg Fe S O\n3 1 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.636932 0.636932 0.273865 Sr\n0.363068 0.363068 0.726136 Sr\n0.750000 0.250000 0.500000 Mg\n0.069981 0.069981 0.139963 Fe\n0.930019 0.930019 0.860037 Fe\n0.193045 0.193045 0.386091 S\n0.806955 0.806955 0.613909 S\n0.076907 0.576907 0.153814 O\n0.577609 0.077609 0.155218 O\n0.922391 0.422391 0.844782 O\n0.423093 0.923093 0.846186 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Fe",
"S",
"O"
],
"chemical_system": "Fe-Mg-O-S-Sr",
"density": 4.3969175361246675,
"density_atomic": 0.06339531184891463,
"volume": 205.06248208040904,
"volume_molar": 9.499347166793854,
"formula_full": "Sr3 Mg1 Fe2 S2 O5",
"formula_reduced": "Sr3MgFe2S2O5",
"formula_anonymous": "AB2C2D3E5",
"energy_above_hull": 1.7405935753846156,
"spacegroup": 119
},
{
"id": "jvasp-80479",
"created_at": "2022-09-04T14:37:17.633942Z",
"updated_at": "2022-09-04T14:37:17.633961Z",
"structure_string": "Sr3 Mg1\n1.0\n4.158348 0.000000 0.000000\n-2.079174 3.601235 -0.000000\n-0.000000 -0.000000 12.332054\nSr Mg\n3 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.281382 Sr\n0.000000 0.000000 0.718617 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.582099017789966,
"density_atomic": 0.02165969215853267,
"volume": 184.6748315129784,
"volume_molar": 27.80344575501099,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0809861764705882,
"spacegroup": 187
},
{
"id": "jvasp-90776",
"created_at": "2022-09-04T14:36:17.437548Z",
"updated_at": "2022-09-04T14:36:17.437566Z",
"structure_string": "Sr6 Mg2\n1.0\n5.548123 0.000000 -0.000000\n0.000000 5.548123 0.000000\n0.000000 0.000000 11.372119\nSr Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.250000 Sr\n0.000000 0.500000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.750000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.7244387124911267,
"density_atomic": 0.022853695156839625,
"volume": 350.05280087521294,
"volume_molar": 26.350840503784795,
"formula_full": "Sr6 Mg2",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0792486764705882,
"spacegroup": 139
},
{
"id": "jvasp-90777",
"created_at": "2022-09-04T14:36:22.222799Z",
"updated_at": "2022-09-04T14:36:22.222828Z",
"structure_string": "Sr6 Mg2\n1.0\n4.340199 0.000000 0.000000\n0.000000 12.880330 0.000000\n0.000000 0.000000 6.366834\nSr Mg\n6 2\ndirect\n0.500000 0.000000 0.916670 Sr\n0.000000 0.282440 0.916654 Sr\n0.500000 0.217560 0.416654 Sr\n0.000000 0.500000 0.416670 Sr\n0.500000 0.782440 0.416654 Sr\n0.000000 0.717560 0.916654 Sr\n0.000000 0.000000 0.416688 Mg\n0.500000 0.500000 0.916688 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.6794795094173054,
"density_atomic": 0.02247655915563956,
"volume": 355.92636509012686,
"volume_molar": 26.792983384598674,
"formula_full": "Sr6 Mg2",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0712336764705882,
"spacegroup": 71
},
{
"id": "jvasp-79000",
"created_at": "2022-09-04T14:36:35.297581Z",
"updated_at": "2022-09-04T14:36:35.297591Z",
"structure_string": "Sr3 Lu1\n1.0\n-2.823874 2.823874 5.569018\n2.823874 -2.823874 5.569018\n2.823874 2.823874 -5.569018\nSr Lu\n3 1\ndirect\n0.749998 0.250000 0.499998 Sr\n0.250000 0.749998 0.499998 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Lu"
],
"chemical_system": "Lu-Sr",
"density": 4.0928176453466225,
"density_atomic": 0.02251804842899755,
"volume": 177.63528720584026,
"volume_molar": 26.74361758741493,
"formula_full": "Sr3 Lu1",
"formula_reduced": "Sr3Lu",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-50394",
"created_at": "2022-09-04T14:36:59.786175Z",
"updated_at": "2022-09-04T14:36:59.786203Z",
"structure_string": "Sr3 Li1 Ta4 O12 F2\n1.0\n0.080990 5.260522 5.260522\n5.341512 0.000000 5.341512\n5.341512 5.341512 0.000000\nSr Li Ta O F\n3 1 4 12 2\ndirect\n0.625000 0.625000 0.125000 Sr\n0.625000 0.125000 0.625000 Sr\n0.625000 0.625000 0.625000 Sr\n0.125000 0.625000 0.625000 Li\n0.125000 0.125000 0.125000 Ta\n0.625000 0.125000 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.190613 0.811388 0.811388 O\n0.799058 0.802383 0.199280 O\n0.190613 0.811388 0.186611 O\n0.799058 0.199280 0.802383 O\n0.190613 0.186611 0.811388 O\n0.059386 0.438611 0.438611 O\n0.059386 0.438611 0.063389 O\n0.450942 0.447616 0.050720 O\n0.059386 0.063389 0.438611 O\n0.799058 0.199280 0.199280 O\n0.450942 0.050720 0.050720 O\n0.450942 0.050720 0.447616 O\n0.445141 0.518286 0.518286 F\n0.804858 0.731714 0.731714 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
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"Li",
"Ta",
"O",
"F"
],
"chemical_system": "F-Li-O-Sr-Ta",
"density": 6.821047282653129,
"density_atomic": 0.0738569755051677,
"volume": 297.87301537226745,
"volume_molar": 8.153787396261084,
"formula_full": "Sr3 Li1 Ta4 O12 F2",
"formula_reduced": "Sr3LiTa4(O6F)2",
"formula_anonymous": "AB2C3D4E12",
"energy_above_hull": 2.9991699225,
"spacegroup": 166
},
{
"id": "jvasp-27487",
"created_at": "2022-09-04T14:38:16.112948Z",
"updated_at": "2022-09-04T14:38:16.112974Z",
"structure_string": "Sr6 Li2 Ru2 O12\n1.0\n6.703413 -0.006053 -0.272623\n-0.283689 6.697410 -0.272623\n-0.005807 -0.006053 6.708952\nSr Li Ru O\n6 2 2 12\ndirect\n0.890398 0.250001 0.609601 Sr\n0.390399 0.109601 0.750000 Sr\n0.750000 0.390400 0.109601 Sr\n0.109600 0.750000 0.390399 Sr\n0.249999 0.609601 0.890399 Sr\n0.609600 0.890400 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.749999 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.499999 0.500000 0.500000 Ru\n0.219763 0.416188 0.546869 O\n0.083811 0.280237 0.953131 O\n0.953131 0.083812 0.280237 O\n0.546868 0.219764 0.416188 O\n0.583811 0.453132 0.780237 O\n0.780236 0.583812 0.453132 O\n0.719763 0.046869 0.916188 O\n0.916188 0.719764 0.046869 O\n0.046868 0.916188 0.719763 O\n0.453131 0.780237 0.583812 O\n0.416188 0.546869 0.219764 O\n0.280236 0.953132 0.083812 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Li",
"Ru",
"O"
],
"chemical_system": "Li-O-Ru-Sr",
"density": 5.148297493533,
"density_atomic": 0.07304889870279584,
"volume": 301.16812697626585,
"volume_molar": 8.243985695802847,
"formula_full": "Sr6 Li2 Ru2 O12",
"formula_reduced": "Sr3LiRuO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7522791299999998,
"spacegroup": 167
},
{
"id": "jvasp-21125",
"created_at": "2022-09-04T14:37:05.868421Z",
"updated_at": "2022-09-04T14:37:05.868452Z",
"structure_string": "Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-Li-O-Sr",
"density": 6.123754290068519,
"density_atomic": 0.07269690774988935,
"volume": 302.6263520821281,
"volume_molar": 8.283902226926795,
"formula_full": "Sr6 Li2 Ir2 O12",
"formula_reduced": "Sr3LiIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.774757366363636,
"spacegroup": 167
},
{
"id": "jvasp-56780",
"created_at": "2022-09-04T14:37:14.225012Z",
"updated_at": "2022-09-04T14:37:14.225039Z",
"structure_string": "Sr3 Li4 Ge2 N6\n1.0\n5.895132 -0.004691 -0.076474\n-2.682406 5.249506 -0.076474\n-0.008304 -0.013556 6.331062\nSr Li Ge N\n3 4 2 6\ndirect\n0.811061 0.188939 0.500001 Sr\n0.188939 0.811062 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.182621 0.543512 0.118158 Li\n0.817379 0.456488 0.881844 Li\n0.456488 0.817379 0.881844 Li\n0.543512 0.182621 0.118158 Li\n0.610948 0.610949 0.318630 Ge\n0.389051 0.389051 0.681371 Ge\n0.453990 0.139861 0.803361 N\n0.546010 0.860139 0.196640 N\n0.297020 0.297020 0.367574 N\n0.702980 0.702980 0.632427 N\n0.139862 0.453990 0.803361 N\n0.860138 0.546011 0.196640 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ge",
"N"
],
"chemical_system": "Ge-Li-N-Sr",
"density": 4.408806533153717,
"density_atomic": 0.07659606608392178,
"volume": 195.83251160138417,
"volume_molar": 7.862206334985789,
"formula_full": "Sr3 Li4 Ge2 N6",
"formula_reduced": "Sr3Li4(GeN3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 2.7346633553333333,
"spacegroup": 12
}
]
}