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=689",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=687",
"results": [
{
"id": "jvasp-91571",
"created_at": "2022-09-04T14:36:22.265436Z",
"updated_at": "2022-09-04T14:36:22.265455Z",
"structure_string": "Tb2 H2 O4\n1.0\n0.000000 3.667177 0.000000\n0.002861 0.000000 4.332119\n5.691246 0.000000 -1.967233\nTb H O\n2 2 4\ndirect\n0.250000 0.333480 0.190105 Tb\n0.750001 0.666521 0.809895 Tb\n0.250000 0.985458 0.577944 H\n0.750001 0.014543 0.422057 H\n0.250000 0.765664 0.049908 O\n0.750001 0.234337 0.950093 O\n0.250000 0.753750 0.561572 O\n0.750001 0.246251 0.438429 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"H",
"O"
],
"chemical_system": "H-O-Tb",
"density": 7.048357901325617,
"density_atomic": 0.08846087889379949,
"volume": 90.43545689393717,
"volume_molar": 6.807688138877525,
"formula_full": "Tb2 H2 O4",
"formula_reduced": "TbHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4993488499999998,
"spacegroup": 11
},
{
"id": "jvasp-7692",
"created_at": "2022-09-04T14:37:04.638259Z",
"updated_at": "2022-09-04T14:37:04.638268Z",
"structure_string": "Ga2 Cu2 O4\n1.0\n1.503150 -2.603532 0.000000\n1.503150 2.603532 -0.000000\n0.000000 0.000000 11.554462\nGa Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.588286 O\n0.333333 0.666667 0.088286 O\n0.666667 0.333333 0.911714 O\n0.333333 0.666667 0.411714 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"O"
],
"chemical_system": "Cu-Ga-O",
"density": 6.069073172151095,
"density_atomic": 0.08845961025212193,
"volume": 90.43675387217863,
"volume_molar": 6.807785771196685,
"formula_full": "Ga2 Cu2 O4",
"formula_reduced": "GaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6182324437500001,
"spacegroup": 194
},
{
"id": "jvasp-32188",
"created_at": "2022-09-04T14:37:59.647953Z",
"updated_at": "2022-09-04T14:37:59.647977Z",
"structure_string": "H8 I2 N2 O8\n1.0\n5.567920 0.000001 -2.395590\n-1.030699 5.471690 -2.395589\n-0.072977 -0.088008 7.498763\nH I N O\n8 2 2 8\ndirect\n0.641686 0.059299 0.348983 H\n0.289684 0.141686 0.848983 H\n0.559299 0.207297 0.848983 H\n0.707297 0.789684 0.348983 H\n0.358313 0.940700 0.651016 H\n0.710315 0.858314 0.151016 H\n0.440700 0.792702 0.151016 H\n0.292702 0.210315 0.651016 H\n0.874999 0.625000 0.749999 I\n0.125000 0.375000 0.250000 I\n0.375000 0.125000 0.749999 N\n0.625000 0.875000 0.250000 N\n0.658277 0.337453 0.586899 O\n0.341722 0.662547 0.413100 O\n0.071378 0.250554 0.413100 O\n0.750554 0.841722 0.913100 O\n0.837453 0.428622 0.086899 O\n0.249445 0.158278 0.086899 O\n0.928621 0.749445 0.586899 O\n0.162546 0.571378 0.913100 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"I",
"N",
"O"
],
"chemical_system": "H-I-N-O",
"density": 3.068907896010933,
"density_atomic": 0.0884528977486563,
"volume": 226.1090423157315,
"volume_molar": 6.808302399670657,
"formula_full": "H8 I2 N2 O8",
"formula_reduced": "H4INO4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 2.928641352500001,
"spacegroup": 88
},
{
"id": "jvasp-46890",
"created_at": "2022-09-04T14:38:06.912138Z",
"updated_at": "2022-09-04T14:38:06.912165Z",
"structure_string": "V3 O4 F2\n1.0\n5.000626 -0.019250 0.003702\n-2.414364 4.416586 -0.028341\n-2.418296 -1.557524 4.624559\nV O F\n3 4 2\ndirect\n0.286839 0.624620 0.940679 V\n0.709313 0.832705 0.566246 V\n0.642462 0.327768 -0.000115 V\n0.844323 0.239953 0.783565 O\n0.517673 0.579295 0.762970 O\n0.186337 0.923832 0.788589 O\n0.553361 0.504060 0.244715 O\n0.779826 0.076048 0.255089 F\n0.182660 0.719272 0.254042 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.158466655895722,
"density_atomic": 0.0884494197036642,
"volume": 101.7530700614326,
"volume_molar": 6.808570118578766,
"formula_full": "V3 O4 F2",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6547263516666666,
"spacegroup": 1
},
{
"id": "jvasp-35432",
"created_at": "2022-09-04T14:37:40.732477Z",
"updated_at": "2022-09-04T14:37:40.732492Z",
"structure_string": "Er2 B4 C1\n1.0\n-3.251541 -0.000000 0.000000\n-1.625771 -3.273498 3.717691\n-1.625771 3.273498 3.717691\nEr B C\n2 4 1\ndirect\n0.265747 0.234252 0.234252 Er\n0.734252 0.765747 0.765747 Er\n0.500000 0.365776 0.634224 B\n0.500000 0.634224 0.365776 B\n-0.000000 0.772385 0.227615 B\n-0.000000 0.227615 0.772385 B\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"B",
"C"
],
"chemical_system": "B-C-Er",
"density": 8.1781658709782,
"density_atomic": 0.08844910440232204,
"volume": 79.14155883545871,
"volume_molar": 6.808594389613629,
"formula_full": "Er2 B4 C1",
"formula_reduced": "Er2B4C",
"formula_anonymous": "AB2C4",
"energy_above_hull": 4.253337190476191,
"spacegroup": 71
},
{
"id": "jvasp-36177",
"created_at": "2022-09-04T14:37:12.410053Z",
"updated_at": "2022-09-04T14:37:12.410079Z",
"structure_string": "Cr3 Fe1\n1.0\n3.562780 0.000000 -0.000000\n0.000000 3.562780 0.000000\n0.000000 0.000000 3.562780\nCr Fe\n3 1\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe",
"density": 7.778149964761678,
"density_atomic": 0.08844900958701234,
"volume": 45.223796384796955,
"volume_molar": 6.8086016882706595,
"formula_full": "Cr3 Fe1",
"formula_reduced": "Cr3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 4.497341925,
"spacegroup": 221
},
{
"id": "jvasp-101060",
"created_at": "2022-09-04T14:36:54.976689Z",
"updated_at": "2022-09-04T14:36:54.976710Z",
"structure_string": "Sr1 H3 Pd1\n1.0\n3.837905 -0.000000 0.000000\n0.000000 3.837905 0.000000\n-0.000000 0.000000 3.837905\nSr H Pd\n1 3 1\ndirect\n0.499999 0.499999 0.499999 Sr\n0.499999 0.000000 -0.000000 H\n-0.000000 0.499999 -0.000000 H\n0.000000 0.000000 0.499999 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"H",
"Pd"
],
"chemical_system": "H-Pd-Sr",
"density": 5.78859724274171,
"density_atomic": 0.08844786275528721,
"volume": 56.530478456373004,
"volume_molar": 6.8086899698885155,
"formula_full": "Sr1 H3 Pd1",
"formula_reduced": "SrH3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.767834402,
"spacegroup": 221
},
{
"id": "jvasp-120397",
"created_at": "2022-09-04T14:38:53.280885Z",
"updated_at": "2022-09-04T14:38:53.280910Z",
"structure_string": "Li2 Au1 O2\n1.0\n-1.629349 1.832553 4.733277\n1.629349 -1.832553 4.733277\n1.629349 1.832553 -4.733277\nLi Au O\n2 1 2\ndirect\n0.206138 0.706138 0.499999 Li\n0.793861 0.293862 0.500000 Li\n0.500000 0.000000 0.500000 Au\n0.653052 0.653052 0.000000 O\n0.346948 0.346948 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Au",
"O"
],
"chemical_system": "Au-Li-O",
"density": 7.13329074300968,
"density_atomic": 0.08844584384040524,
"volume": 56.531768853064186,
"volume_molar": 6.8088453888987255,
"formula_full": "Li2 Au1 O2",
"formula_reduced": "Li2AuO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1601129139999995,
"spacegroup": 71
},
{
"id": "jvasp-74675",
"created_at": "2022-09-04T14:36:06.717980Z",
"updated_at": "2022-09-04T14:36:06.717997Z",
"structure_string": "Be2 Cr1 Mo1\n1.0\n2.506577 0.000000 0.000000\n0.000000 2.506577 -0.000000\n0.000000 -0.000000 7.198160\nBe Cr Mo\n2 1 1\ndirect\n0.000000 0.000000 0.763386 Be\n0.000000 0.000000 0.236614 Be\n0.500001 0.500001 0.000000 Cr\n0.500001 0.500001 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Mo"
],
"chemical_system": "Be-Cr-Mo",
"density": 6.093546664448873,
"density_atomic": 0.08844563306022335,
"volume": 45.225522861896046,
"volume_molar": 6.8088616154734005,
"formula_full": "Be2 Cr1 Mo1",
"formula_reduced": "Be2CrMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.644028875000001,
"spacegroup": 123
},
{
"id": "jvasp-36635",
"created_at": "2022-09-04T14:37:12.695234Z",
"updated_at": "2022-09-04T14:37:12.695244Z",
"structure_string": "V1 Hg1 O3\n1.0\n3.837947 0.000000 -0.000000\n-0.000000 3.837947 0.000000\n-0.000000 -0.000000 3.837947\nV Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Hg",
"O"
],
"chemical_system": "Hg-O-V",
"density": 8.798164338604757,
"density_atomic": 0.08844495903912068,
"volume": 56.532334395546684,
"volume_molar": 6.808913504427433,
"formula_full": "V1 Hg1 O3",
"formula_reduced": "VHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.80778986,
"spacegroup": 221
},
{
"id": "jvasp-78842",
"created_at": "2022-09-04T14:37:10.109782Z",
"updated_at": "2022-09-04T14:37:10.109807Z",
"structure_string": "Cr3 Fe1\n1.0\n3.562837 0.000000 -0.000000\n0.000000 3.562837 -0.000000\n0.000000 0.000000 3.562837\nCr Fe\n3 1\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe",
"density": 7.777776654850199,
"density_atomic": 0.08844476450404418,
"volume": 45.22596699115071,
"volume_molar": 6.808928480695582,
"formula_full": "Cr3 Fe1",
"formula_reduced": "Cr3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 4.497346925,
"spacegroup": 221
},
{
"id": "jvasp-55320",
"created_at": "2022-09-04T14:36:51.936999Z",
"updated_at": "2022-09-04T14:36:51.937023Z",
"structure_string": "Ca2 Fe2 Si4 O12\n1.0\n5.114136 -0.137438 1.070761\n1.258324 6.546833 0.619812\n-0.183744 0.182021 6.690417\nCa Fe Si O\n2 2 4 12\ndirect\n0.750001 0.303227 0.696772 Ca\n0.250000 0.696772 0.303228 Ca\n0.750000 0.918229 0.081771 Fe\n0.250001 0.081771 0.918230 Fe\n0.268240 0.192788 0.385828 Si\n0.768240 0.385828 0.192788 Si\n0.731761 0.807211 0.614172 Si\n0.231761 0.614171 0.807212 Si\n-0.014338 0.624947 0.672269 O\n0.014339 0.375052 0.327732 O\n0.828933 0.886565 0.382224 O\n0.671067 0.617775 0.113434 O\n0.846388 0.217208 0.027503 O\n0.328934 0.382224 0.886566 O\n0.514339 0.327731 0.375052 O\n0.153613 0.782791 0.972497 O\n0.346388 0.027503 0.217208 O\n0.653613 0.972496 0.782792 O\n0.171068 0.113434 0.617776 O\n0.485662 0.672268 0.624948 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-O-Si",
"density": 3.6435445424745194,
"density_atomic": 0.08844331786999425,
"volume": 226.13353367632206,
"volume_molar": 6.809039851775059,
"formula_full": "Ca2 Fe2 Si4 O12",
"formula_reduced": "CaFe(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.573399412,
"spacegroup": 15
}
]
}