HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3867",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3865",
"results": [
{
"id": "jvasp-71854",
"created_at": "2022-09-04T14:36:11.846045Z",
"updated_at": "2022-09-04T14:36:11.846067Z",
"structure_string": "Mn2 Be1 W1\n1.0\n-2.017342 2.017342 2.854567\n2.017342 -2.017342 2.854567\n2.017342 2.017342 -2.854567\nMn Be W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"W"
],
"chemical_system": "Be-Mn-W",
"density": 10.817895612361598,
"density_atomic": 0.08607969080224039,
"volume": 46.46856840122261,
"volume_molar": 6.996006495696268,
"formula_full": "Mn2 Be1 W1",
"formula_reduced": "Mn2BeW",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.546892645689655,
"spacegroup": 225
},
{
"id": "jvasp-50745",
"created_at": "2022-09-04T14:36:38.487602Z",
"updated_at": "2022-09-04T14:36:38.487629Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n-5.061071 -0.000101 0.001370\n-0.000722 -5.322114 -0.032805\n0.016815 0.484063 7.334552\nLi Sb Te O\n1 1 3 12\ndirect\n0.497506 0.925399 0.787754 Li\n0.998785 0.005935 0.006455 Sb\n0.002550 0.003573 0.496817 Te\n0.498753 0.501435 0.002358 Te\n0.501291 0.497629 0.494146 Te\n0.676259 0.189869 0.927732 O\n0.321265 0.182005 0.426974 O\n0.815868 0.318950 0.570167 O\n0.180013 0.334686 0.066384 O\n0.368304 0.521684 0.744920 O\n0.801284 0.692328 0.924731 O\n0.858561 0.002089 0.256774 O\n0.186652 0.685679 0.425132 O\n0.683733 0.819443 0.566857 O\n0.334484 0.828503 0.051852 O\n0.644518 0.501830 0.249456 O\n0.135576 0.010513 0.744262 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Sb",
"Te",
"O"
],
"chemical_system": "Li-O-Sb-Te",
"density": 5.915420440393703,
"density_atomic": 0.08608454083064093,
"volume": 197.48028898063217,
"volume_molar": 6.995612338628494,
"formula_full": "Li1 Sb1 Te3 O12",
"formula_reduced": "LiSb(TeO4)3",
"formula_anonymous": "ABC3D12",
"energy_above_hull": 2.435055964705882,
"spacegroup": 1
},
{
"id": "jvasp-36854",
"created_at": "2022-09-04T14:37:41.036604Z",
"updated_at": "2022-09-04T14:37:41.036614Z",
"structure_string": "Ni1 Au1 O2\n1.0\n-2.887560 -0.000000 0.702307\n-1.529187 2.548102 -0.000000\n-2.893830 -0.003763 -5.610778\nNi Au O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Au\n0.886854 0.886853 0.339440 O\n0.113147 0.113148 0.660560 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Au",
"O"
],
"chemical_system": "Au-Ni-O",
"density": 10.28003477423045,
"density_atomic": 0.0860850745690351,
"volume": 46.465662253591226,
"volume_molar": 6.99556896494363,
"formula_full": "Ni1 Au1 O2",
"formula_reduced": "NiAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3971442425,
"spacegroup": 166
},
{
"id": "jvasp-7897",
"created_at": "2022-09-04T14:36:35.239983Z",
"updated_at": "2022-09-04T14:36:35.240002Z",
"structure_string": "Pr1 Cr1 O3\n1.0\n3.872630 0.000000 -0.000000\n-0.000000 3.872630 0.000000\n0.000000 0.000000 3.872630\nPr Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Pr",
"density": 6.8876551767794405,
"density_atomic": 0.0860898572951413,
"volume": 58.078851064400446,
"volume_molar": 6.995180325777907,
"formula_full": "Pr1 Cr1 O3",
"formula_reduced": "PrCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.35046555,
"spacegroup": 221
},
{
"id": "jvasp-12611",
"created_at": "2022-09-04T14:37:09.381694Z",
"updated_at": "2022-09-04T14:37:09.381719Z",
"structure_string": "Ba1 Pr1 Co2 O6\n1.0\n3.888387 0.000000 -0.000000\n0.000000 3.888387 -0.000000\n0.000000 0.000000 7.682413\nBa Pr Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.249857 Co\n0.500000 0.500000 0.750143 Co\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.727769 O\n0.500000 0.000000 0.727769 O\n0.500000 0.000000 0.272231 O\n0.000000 0.500000 0.272231 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Pr",
"density": 7.034991669031314,
"density_atomic": 0.08609211641290918,
"volume": 116.15465406888916,
"volume_molar": 6.994996767319572,
"formula_full": "Ba1 Pr1 Co2 O6",
"formula_reduced": "BaPr(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.477826862,
"spacegroup": 123
},
{
"id": "jvasp-99556",
"created_at": "2022-09-04T14:36:37.759907Z",
"updated_at": "2022-09-04T14:36:37.759918Z",
"structure_string": "Fe3 Co3 Ge2\n1.0\n3.861035 -0.003994 5.811596\n1.751593 3.440862 5.811596\n-0.006522 -0.003994 6.977263\nFe Co Ge\n3 3 2\ndirect\n0.877605 0.877606 0.877604 Fe\n0.123048 0.123048 0.123047 Fe\n0.626849 0.626850 0.626849 Fe\n0.755064 0.755065 0.755063 Co\n0.245129 0.245129 0.245129 Co\n0.372531 0.372532 0.372531 Co\n0.000853 0.000853 0.000853 Ge\n0.498922 0.498923 0.498922 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Ge"
],
"chemical_system": "Co-Fe-Ge",
"density": 8.74941110916987,
"density_atomic": 0.08609250933117084,
"volume": 92.9232991598202,
"volume_molar": 6.9949648428003375,
"formula_full": "Fe3 Co3 Ge2",
"formula_reduced": "Fe3Co3Ge2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.1665788875,
"spacegroup": 160
},
{
"id": "jvasp-48712",
"created_at": "2022-09-04T14:36:05.945312Z",
"updated_at": "2022-09-04T14:36:05.945331Z",
"structure_string": "Mn4 O3 F5\n1.0\n-0.265616 4.758684 3.087210\n-0.265616 4.758684 -3.087210\n-4.758684 0.265616 -3.087210\nMn O F\n4 3 5\ndirect\n0.760692 0.729621 0.509687 Mn\n0.239308 0.251006 0.509686 Mn\n0.500000 0.524370 0.975630 Mn\n0.000000 0.990241 0.009759 Mn\n0.500000 0.817438 0.682562 O\n0.000000 0.292136 0.707864 O\n0.000000 0.688174 0.311825 O\n0.056487 0.749823 0.806710 F\n0.556533 0.249777 0.806710 F\n0.500000 0.207810 0.292190 F\n0.443467 0.749822 0.193691 F\n0.943513 0.249776 0.193691 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.3214818386895715,
"density_atomic": 0.08609273871598648,
"volume": 139.38457736356958,
"volume_molar": 6.994946205471047,
"formula_full": "Mn4 O3 F5",
"formula_reduced": "Mn4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 2.202010073168103,
"spacegroup": 44
},
{
"id": "jvasp-63159",
"created_at": "2022-09-04T14:35:59.005612Z",
"updated_at": "2022-09-04T14:35:59.005637Z",
"structure_string": "La3 Si3 B3 O15\n1.0\n3.431347 -5.943267 0.000000\n3.431347 5.943267 -0.000000\n0.000000 -0.000000 6.834230\nLa Si B O\n3 3 3 15\ndirect\n0.600918 0.000000 0.833333 La\n0.399083 0.399083 0.500000 La\n0.000000 0.600918 0.166667 La\n0.581609 0.000000 0.333333 Si\n0.418392 0.418392 0.000000 Si\n0.000000 0.581609 0.666667 Si\n0.108653 0.000000 0.833333 B\n0.891348 0.891348 0.500000 B\n0.000000 0.108653 0.166667 B\n0.039199 0.000000 0.333333 O\n0.605716 0.469188 0.166331 O\n0.863471 0.394285 0.832998 O\n0.530813 0.136530 0.499664 O\n0.394285 0.863471 0.167002 O\n0.136530 0.530813 0.500336 O\n0.655471 0.846448 0.471281 O\n0.344530 0.190978 0.862052 O\n0.846448 0.655471 0.528719 O\n0.809023 0.153553 0.195385 O\n0.960802 0.960802 0.000000 O\n0.153553 0.809023 0.804615 O\n0.190978 0.344530 0.137948 O\n0.469188 0.605716 0.833669 O\n0.000000 0.039199 0.666667 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"La",
"Si",
"B",
"O"
],
"chemical_system": "B-La-O-Si",
"density": 4.607253022729184,
"density_atomic": 0.08609972717702909,
"volume": 278.7465278566302,
"volume_molar": 6.994378446307868,
"formula_full": "La3 Si3 B3 O15",
"formula_reduced": "LaSiBO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7374867104166665,
"spacegroup": 152
},
{
"id": "jvasp-111709",
"created_at": "2022-09-04T14:38:41.604521Z",
"updated_at": "2022-09-04T14:38:41.604547Z",
"structure_string": "Sr6 Mn6 O18\n1.0\n5.462476 0.000000 -0.000000\n-2.731238 4.730642 -0.000000\n0.000000 -0.000000 13.483434\nSr Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.409800 Sr\n0.666667 0.333333 0.590200 Sr\n0.666667 0.333333 0.909800 Sr\n0.333333 0.666667 0.090200 Sr\n0.333333 0.666667 0.843942 Mn\n0.666667 0.333333 0.156058 Mn\n0.666667 0.333333 0.343942 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.656058 Mn\n0.164324 0.835676 0.581879 O\n0.835677 0.164324 0.081879 O\n0.671353 0.835676 0.918121 O\n0.164324 0.328647 0.918121 O\n0.164324 0.835676 0.918121 O\n0.671353 0.835676 0.581879 O\n0.164324 0.328647 0.581879 O\n0.328647 0.164324 0.418121 O\n0.972457 0.486228 0.250000 O\n0.835677 0.164324 0.418121 O\n0.027543 0.513772 0.750000 O\n0.486228 0.972456 0.750000 O\n0.486228 0.513772 0.750000 O\n0.835676 0.671353 0.081879 O\n0.513773 0.027543 0.250000 O\n0.513772 0.486228 0.250000 O\n0.835676 0.671353 0.418121 O\n0.328647 0.164324 0.081879 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.448957183083405,
"density_atomic": 0.08610157899333425,
"volume": 348.42566594885,
"volume_molar": 6.9942280158023795,
"formula_full": "Sr6 Mn6 O18",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.822136810275862,
"spacegroup": 194
},
{
"id": "jvasp-68595",
"created_at": "2022-09-04T14:35:50.677842Z",
"updated_at": "2022-09-04T14:35:50.677868Z",
"structure_string": "Be1 Ni1 Ir1\n1.0\n1.322651 -2.290900 -0.000000\n1.322651 2.290900 0.000000\n-0.000000 0.000000 5.749434\nBe Ni Ir\n1 1 1\ndirect\n0.000000 0.000000 0.008387 Be\n0.666667 0.333332 0.305603 Ni\n0.333332 0.666667 0.686010 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Ir"
],
"chemical_system": "Be-Ir-Ni",
"density": 12.387584345833128,
"density_atomic": 0.08610230329978757,
"volume": 34.84227349359888,
"volume_molar": 6.99416917922898,
"formula_full": "Be1 Ni1 Ir1",
"formula_reduced": "BeNiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.167166533333333,
"spacegroup": 156
},
{
"id": "jvasp-107074",
"created_at": "2022-09-04T14:36:51.391234Z",
"updated_at": "2022-09-04T14:36:51.391265Z",
"structure_string": "Cd1 Ni1 O2\n1.0\n3.204624 -0.000000 0.000000\n0.000000 3.204624 0.000000\n-0.000000 -0.000000 4.523505\nCd Ni O\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Cd\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500001 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Ni",
"O"
],
"chemical_system": "Cd-Ni-O",
"density": 7.26000010571433,
"density_atomic": 0.08610547262541514,
"volume": 46.454654716329244,
"volume_molar": 6.9939117414733145,
"formula_full": "Cd1 Ni1 O2",
"formula_reduced": "CdNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8069297874999999,
"spacegroup": 123
},
{
"id": "jvasp-17989",
"created_at": "2022-09-04T14:38:12.148691Z",
"updated_at": "2022-09-04T14:38:12.148702Z",
"structure_string": "Mn1 Ga1 Co2\n1.0\n3.494431 -0.000000 2.017511\n1.164811 3.294581 2.017511\n0.000000 -0.000000 4.035021\nMn Ga Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Mn",
"density": 8.669369485712355,
"density_atomic": 0.08610681651162581,
"volume": 46.453929689293936,
"volume_molar": 6.993802586101778,
"formula_full": "Mn1 Ga1 Co2",
"formula_reduced": "MnGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5394928415948272,
"spacegroup": 225
}
]
}