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=formula_anonymous&page=4017",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4015",
"results": [
{
"id": "jvasp-8061",
"created_at": "2022-09-04T14:36:37.857774Z",
"updated_at": "2022-09-04T14:36:37.857803Z",
"structure_string": "Sr1 Hf1 O3\n1.0\n4.125872 0.000000 0.000000\n-0.000000 4.125872 0.000000\n-0.000000 -0.000000 4.125872\nSr Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 7.426447587388869,
"density_atomic": 0.07119061637593911,
"volume": 70.23397541041507,
"volume_molar": 8.459177721117966,
"formula_full": "Sr1 Hf1 O3",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.860763962,
"spacegroup": 221
},
{
"id": "jvasp-49801",
"created_at": "2022-09-04T14:36:39.401773Z",
"updated_at": "2022-09-04T14:36:39.401799Z",
"structure_string": "Ho2 B2 O6\n1.0\n2.495101 1.440547 5.488851\n-2.495101 1.440547 5.488851\n0.000000 -2.881094 5.488851\nHo B O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.499999 Ho\n0.250000 0.250000 0.249999 B\n0.750001 0.750001 0.749998 B\n0.250001 0.972273 0.527726 O\n0.027728 0.472273 0.749999 O\n0.472273 0.750000 0.027726 O\n0.527728 0.250001 0.972271 O\n0.972273 0.527728 0.249999 O\n0.750000 0.027728 0.472272 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"B",
"O"
],
"chemical_system": "B-Ho-O",
"density": 6.277309480787393,
"density_atomic": 0.0844795798713791,
"volume": 118.37180079760205,
"volume_molar": 7.128516464178398,
"formula_full": "Ho2 B2 O6",
"formula_reduced": "HoBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1269097300000004,
"spacegroup": 167
},
{
"id": "jvasp-3966",
"created_at": "2022-09-04T14:36:37.148372Z",
"updated_at": "2022-09-04T14:36:37.148394Z",
"structure_string": "K3 Br1 O1\n1.0\n5.181726 0.000000 0.000000\n0.000000 5.181726 0.000000\n0.000000 0.000000 5.181726\nK Br O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Br",
"O"
],
"chemical_system": "Br-K-O",
"density": 2.544541281882085,
"density_atomic": 0.035937401410846746,
"volume": 139.13081646718294,
"volume_molar": 16.757307216382028,
"formula_full": "K3 Br1 O1",
"formula_reduced": "K3BrO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-27048",
"created_at": "2022-09-04T14:36:38.273201Z",
"updated_at": "2022-09-04T14:36:38.273236Z",
"structure_string": "Sr1 Fe1 O3\n1.0\n3.830283 0.000000 0.000000\n-0.000000 3.830283 0.000000\n0.000000 -0.000000 3.830283\nSr Fe O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 5.657724837410089,
"density_atomic": 0.08897692967631923,
"volume": 56.194341816345286,
"volume_molar": 6.768204726671708,
"formula_full": "Sr1 Fe1 O3",
"formula_reduced": "SrFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7012104619999997,
"spacegroup": 221
},
{
"id": "jvasp-15120",
"created_at": "2022-09-04T14:36:35.684446Z",
"updated_at": "2022-09-04T14:36:35.684466Z",
"structure_string": "Cr3 Ga1 N1\n1.0\n3.822468 -0.000000 -0.000000\n0.000000 3.822468 -0.000000\n0.000000 0.000000 3.822468\nCr Ga N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"N"
],
"chemical_system": "Cr-Ga-N",
"density": 7.127187233254723,
"density_atomic": 0.0895237836882659,
"volume": 55.851079947767694,
"volume_molar": 6.72686130086941,
"formula_full": "Cr3 Ga1 N1",
"formula_reduced": "Cr3GaN",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.004981554999999,
"spacegroup": 221
},
{
"id": "jvasp-99629",
"created_at": "2022-09-04T14:36:33.873254Z",
"updated_at": "2022-09-04T14:36:33.873277Z",
"structure_string": "Sn2 Ge2 O6\n1.0\n4.943769 0.012652 5.091806\n2.073477 4.487951 5.091806\n0.019727 0.012652 7.096968\nSn Ge O\n2 2 6\ndirect\n0.166664 0.166664 0.166664 Sn\n0.833338 0.833335 0.833337 Sn\n0.392006 0.392004 0.392005 Ge\n0.607996 0.607994 0.607996 Ge\n0.106369 0.440883 0.776606 O\n0.440885 0.776605 0.106369 O\n0.223395 0.893631 0.559116 O\n0.776606 0.106368 0.440885 O\n0.559117 0.223394 0.893632 O\n0.893632 0.559115 0.223395 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sn",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sn",
"density": 5.074571356832399,
"density_atomic": 0.0638395923137707,
"volume": 156.64260433948482,
"volume_molar": 9.433238123453643,
"formula_full": "Sn2 Ge2 O6",
"formula_reduced": "SnGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.49862563,
"spacegroup": 148
},
{
"id": "jvasp-50949",
"created_at": "2022-09-04T14:36:22.477468Z",
"updated_at": "2022-09-04T14:36:22.477494Z",
"structure_string": "Er2 Al2 O6\n1.0\n1.713758 -2.968315 0.000000\n1.713758 2.968315 -0.000000\n-0.000000 -0.000000 11.497132\nEr Al O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.333333 0.666668 0.250000 Al\n0.666668 0.333333 0.750000 Al\n0.333333 0.666668 0.090965 O\n0.333333 0.666668 0.409035 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666668 0.333333 0.909035 O\n0.666668 0.333333 0.590965 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Al",
"O"
],
"chemical_system": "Al-Er-O",
"density": 6.877707380622475,
"density_atomic": 0.0854911196406651,
"volume": 116.9712134082679,
"volume_molar": 7.0441711201258865,
"formula_full": "Er2 Al2 O6",
"formula_reduced": "ErAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.47842266,
"spacegroup": 194
},
{
"id": "jvasp-8537",
"created_at": "2022-09-04T14:36:39.063716Z",
"updated_at": "2022-09-04T14:36:39.063742Z",
"structure_string": "Hf1 Pb1 O3\n1.0\n4.141706 -0.000000 -0.000000\n-0.000000 4.141706 -0.000000\n0.000000 0.000000 4.141706\nHf Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Pb\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": [
"Hf",
"Pb",
"O"
],
"chemical_system": "Hf-O-Pb",
"density": 10.136520471812561,
"density_atomic": 0.07037723544123659,
"volume": 71.04570062538032,
"volume_molar": 8.556944191177207,
"formula_full": "Hf1 Pb1 O3",
"formula_reduced": "HfPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.208032864,
"spacegroup": 221
},
{
"id": "jvasp-8240",
"created_at": "2022-09-04T14:36:40.047376Z",
"updated_at": "2022-09-04T14:36:40.047403Z",
"structure_string": "Y1 Fe1 O3\n1.0\n3.758976 0.000000 0.000000\n0.000000 3.758976 -0.000000\n0.000000 -0.000000 3.759196\nY Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.500001 Fe\n0.000000 0.500001 0.500001 O\n0.500001 0.000000 0.500001 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Y",
"density": 6.025696701622615,
"density_atomic": 0.09413170577696577,
"volume": 53.11706569778863,
"volume_molar": 6.397568927805016,
"formula_full": "Y1 Fe1 O3",
"formula_reduced": "YFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.40069629,
"spacegroup": 221
},
{
"id": "jvasp-99933",
"created_at": "2022-09-04T14:36:38.240890Z",
"updated_at": "2022-09-04T14:36:38.240919Z",
"structure_string": "Sm1 Ga3 Pd1\n1.0\n3.932267 -0.011688 -4.722386\n-0.523736 3.897250 -4.722386\n0.010253 0.011688 6.145205\nSm Ga Pd\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.613733 0.613733 -0.000001 Ga\n0.386267 0.386267 -0.000001 Ga\n0.750000 0.250000 0.499999 Ga\n0.249999 0.750000 0.499998 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sm",
"density": 8.181259321737357,
"density_atomic": 0.052869193030343126,
"volume": 94.57303418893416,
"volume_molar": 11.390642479721079,
"formula_full": "Sm1 Ga3 Pd1",
"formula_reduced": "SmGa3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2668243099999998,
"spacegroup": 119
},
{
"id": "jvasp-22605",
"created_at": "2022-09-04T14:36:37.504468Z",
"updated_at": "2022-09-04T14:36:37.504498Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.058060 0.000000 -0.000000\n-0.000000 4.058060 -0.000000\n0.000000 0.000000 4.058060\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 4.905047011111472,
"density_atomic": 0.0748194674172186,
"volume": 66.82752728134662,
"volume_molar": 8.048895518620188,
"formula_full": "Rb1 Mn1 F3",
"formula_reduced": "RbMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3229716698505745,
"spacegroup": 221
},
{
"id": "jvasp-48661",
"created_at": "2022-09-04T14:36:18.441380Z",
"updated_at": "2022-09-04T14:36:18.441416Z",
"structure_string": "Li2 Fe2 O6\n1.0\n2.774150 -0.000111 0.000100\n-1.386933 5.213133 -0.468070\n-0.000374 -2.257217 6.664927\nLi Fe O\n2 2 6\ndirect\n0.624180 0.748335 0.364129 Li\n0.375823 0.251665 0.635871 Li\n0.812218 0.124425 0.192101 Fe\n0.187784 0.875574 0.807900 Fe\n0.995668 0.491317 0.395111 O\n0.004334 0.508682 0.604890 O\n0.360409 0.220793 0.048509 O\n0.255495 0.010993 0.319611 O\n0.639592 0.779207 -0.048509 O\n0.744507 0.989006 0.680390 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.9368342529725715,
"density_atomic": 0.10700158519167585,
"volume": 93.45655937794412,
"volume_molar": 5.628085555192775,
"formula_full": "Li2 Fe2 O6",
"formula_reduced": "LiFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1156852,
"spacegroup": 12
}
]
}