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=-spacegroup&page=698",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=696",
"results": [
{
"id": "jvasp-20882",
"created_at": "2022-09-04T14:38:34.090488Z",
"updated_at": "2022-09-04T14:38:34.090507Z",
"structure_string": "K1 Mg1 F3\n1.0\n4.001555 0.000000 -0.000000\n-0.000000 4.001555 -0.000000\n0.000000 0.000000 4.001555\nK Mg F\n1 1 3\ndirect\n0.499999 0.499999 0.499999 K\n0.000000 0.000000 0.000000 Mg\n0.000000 0.499999 0.000000 F\n0.000000 0.000000 0.499999 F\n0.499999 0.000000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Mg",
"F"
],
"chemical_system": "F-K-Mg",
"density": 3.120210089397787,
"density_atomic": 0.07803395751345413,
"volume": 64.07466902006003,
"volume_molar": 7.717333519784256,
"formula_full": "K1 Mg1 F3",
"formula_reduced": "KMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-57410",
"created_at": "2022-09-04T14:38:33.562022Z",
"updated_at": "2022-09-04T14:38:33.562043Z",
"structure_string": "K1 Cr1 F3\n1.0\n4.148026 0.000000 0.000000\n0.000000 4.148026 0.000000\n0.000000 -0.000000 4.157670\nK Cr F\n1 1 3\ndirect\n0.500001 0.500001 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 F\n0.000000 0.500001 0.000000 F\n0.500001 0.000000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Cr",
"F"
],
"chemical_system": "Cr-F-K",
"density": 3.437484353643206,
"density_atomic": 0.0698935418258096,
"volume": 71.5373676792789,
"volume_molar": 8.616161955289842,
"formula_full": "K1 Cr1 F3",
"formula_reduced": "KCrF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3040017098333333,
"spacegroup": 221
},
{
"id": "jvasp-54983",
"created_at": "2022-09-04T14:38:33.363896Z",
"updated_at": "2022-09-04T14:38:33.363924Z",
"structure_string": "Rb1 Ge1 I3\n1.0\n5.899458 -0.000000 -0.000000\n-0.000000 5.899458 -0.000000\n0.000000 0.000000 5.899458\nRb Ge I\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"I"
],
"chemical_system": "Ge-I-Rb",
"density": 4.357701113366771,
"density_atomic": 0.024351945521755094,
"volume": 205.3224041394636,
"volume_molar": 24.72960837818913,
"formula_full": "Rb1 Ge1 I3",
"formula_reduced": "RbGeI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-16260",
"created_at": "2022-09-04T14:38:18.448484Z",
"updated_at": "2022-09-04T14:38:18.448504Z",
"structure_string": "Fe1 Ir3\n1.0\n3.794417 -0.000000 -0.000000\n-0.000000 3.794417 -0.000000\n-0.000000 0.000000 3.794417\nFe Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ir"
],
"chemical_system": "Fe-Ir",
"density": 19.22523727782408,
"density_atomic": 0.07321917297277193,
"volume": 54.630499602713115,
"volume_molar": 8.224813959916562,
"formula_full": "Fe1 Ir3",
"formula_reduced": "FeIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.3160322,
"spacegroup": 221
},
{
"id": "jvasp-108611",
"created_at": "2022-09-04T14:38:18.594077Z",
"updated_at": "2022-09-04T14:38:18.594100Z",
"structure_string": "Ba1 Dy1 O3\n1.0\n4.411688 -0.000000 0.000000\n0.000000 4.411688 0.000000\n0.000000 0.000000 4.411688\nBa Dy O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Dy\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Dy",
"O"
],
"chemical_system": "Ba-Dy-O",
"density": 6.726602555470251,
"density_atomic": 0.05823118543397151,
"volume": 85.8646438800308,
"volume_molar": 10.34177943505636,
"formula_full": "Ba1 Dy1 O3",
"formula_reduced": "BaDyO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.192730594,
"spacegroup": 221
},
{
"id": "jvasp-108907",
"created_at": "2022-09-04T14:38:18.602824Z",
"updated_at": "2022-09-04T14:38:18.602855Z",
"structure_string": "La3 Sn1 N1\n1.0\n5.100858 -0.000000 0.000000\n0.000000 5.100858 0.000000\n0.000000 0.000000 5.100858\nLa Sn N\n3 1 1\ndirect\n0.500000 0.000000 -0.000000 La\n-0.000000 0.500000 -0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Sn",
"N"
],
"chemical_system": "La-N-Sn",
"density": 6.874390901857245,
"density_atomic": 0.03767387595603232,
"volume": 132.7179610039408,
"volume_molar": 15.984924850918448,
"formula_full": "La3 Sn1 N1",
"formula_reduced": "La3SnN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.16253999,
"spacegroup": 221
},
{
"id": "jvasp-16300",
"created_at": "2022-09-04T14:38:18.803898Z",
"updated_at": "2022-09-04T14:38:18.803918Z",
"structure_string": "Ti3 Al1 N1\n1.0\n4.130498 -0.000000 0.000000\n0.000000 4.130498 -0.000000\n0.000000 0.000000 4.130498\nTi Al N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.34958905581486,
"density_atomic": 0.0709516918483151,
"volume": 70.47048308149309,
"volume_molar": 8.487663370839,
"formula_full": "Ti3 Al1 N1",
"formula_reduced": "Ti3AlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.70338221,
"spacegroup": 221
},
{
"id": "jvasp-17498",
"created_at": "2022-09-04T14:38:18.795937Z",
"updated_at": "2022-09-04T14:38:18.795958Z",
"structure_string": "U1 Pb3\n1.0\n4.824896 -0.000000 0.000000\n-0.000000 4.824896 0.000000\n-0.000000 -0.000000 4.824896\nU Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Pb"
],
"chemical_system": "Pb-U",
"density": 12.708556976163605,
"density_atomic": 0.03561198005468908,
"volume": 112.32175222656046,
"volume_molar": 16.910435057954764,
"formula_full": "U1 Pb3",
"formula_reduced": "UPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7106071150000002,
"spacegroup": 221
},
{
"id": "jvasp-109111",
"created_at": "2022-09-04T14:38:19.369453Z",
"updated_at": "2022-09-04T14:38:19.369472Z",
"structure_string": "Mn3 Sb1 N1\n1.0\n3.858974 -0.000000 0.000000\n0.000000 3.858974 0.000000\n-0.000000 -0.000000 3.858974\nMn Sb N\n3 1 1\ndirect\n-0.000000 0.499999 -0.000000 Mn\n0.499999 0.000000 -0.000000 Mn\n0.000000 0.000000 0.499999 Mn\n0.499999 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"N"
],
"chemical_system": "Mn-N-Sb",
"density": 8.685500037908977,
"density_atomic": 0.08700705056153828,
"volume": 57.46660722010803,
"volume_molar": 6.921439953582459,
"formula_full": "Mn3 Sb1 N1",
"formula_reduced": "Mn3SbN",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.134450214827586,
"spacegroup": 221
},
{
"id": "jvasp-109597",
"created_at": "2022-09-04T14:38:18.922671Z",
"updated_at": "2022-09-04T14:38:18.922697Z",
"structure_string": "Sr3 Zn1\n1.0\n5.393564 -0.000000 0.000000\n0.000000 5.393564 0.000000\n-0.000000 -0.000000 5.393564\nSr Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 3.4741731563741363,
"density_atomic": 0.02549367717271959,
"volume": 156.90164949136255,
"volume_molar": 23.62209546782919,
"formula_full": "Sr3 Zn1",
"formula_reduced": "Sr3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-24985",
"created_at": "2022-09-04T14:38:18.856622Z",
"updated_at": "2022-09-04T14:38:18.856646Z",
"structure_string": "K9 U6 Bi1 O24\n1.0\n8.732297 -0.000000 -0.000000\n-0.000000 8.732297 0.000000\n0.000000 -0.000000 8.732297\nK U Bi O\n9 6 1 24\ndirect\n0.000000 0.000000 0.000000 K\n0.753739 0.753739 0.753739 K\n0.246261 0.246261 0.753739 K\n0.753739 0.246261 0.246261 K\n0.246261 0.246261 0.246261 K\n0.246261 0.753739 0.246261 K\n0.753739 0.246261 0.753739 K\n0.246261 0.753739 0.753739 K\n0.753739 0.753739 0.246261 K\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Bi\n0.716934 0.000000 0.000000 O\n0.500000 0.745591 0.000000 O\n0.000000 0.000000 0.283066 O\n0.745591 0.500000 0.000000 O\n0.254410 0.500000 0.000000 O\n0.768860 0.500000 0.500000 O\n0.000000 0.254410 0.500000 O\n0.500000 0.231140 0.500000 O\n0.500000 0.768860 0.500000 O\n0.000000 0.745591 0.500000 O\n0.500000 0.000000 0.745591 O\n0.500000 0.000000 0.254410 O\n0.745591 0.000000 0.500000 O\n0.500000 0.500000 0.768860 O\n0.254410 0.000000 0.500000 O\n0.000000 0.283066 0.000000 O\n0.000000 0.500000 0.254410 O\n0.500000 0.500000 0.231140 O\n0.231140 0.500000 0.500000 O\n0.000000 0.716934 0.000000 O\n0.500000 0.254410 0.000000 O\n0.283066 0.000000 0.000000 O\n0.000000 0.500000 0.745591 O\n0.000000 0.000000 0.716934 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"U",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-U",
"density": 5.917874654370994,
"density_atomic": 0.06007233264911101,
"volume": 665.8639382899333,
"volume_molar": 10.024815908474832,
"formula_full": "K9 U6 Bi1 O24",
"formula_reduced": "K9U6BiO24",
"formula_anonymous": "AB6C9D24",
"energy_above_hull": 2.7259304075,
"spacegroup": 221
},
{
"id": "jvasp-110191",
"created_at": "2022-09-04T14:38:18.914515Z",
"updated_at": "2022-09-04T14:38:18.914535Z",
"structure_string": "Nb1 O3\n1.0\n3.983237 -0.000000 0.000000\n0.000000 3.983237 0.000000\n-0.000000 0.000000 3.986218\nNb O\n1 3\ndirect\n0.000000 0.000000 0.993838 Nb\n0.500000 0.000000 0.004344 O\n0.000000 0.000000 0.501612 O\n-0.000000 0.500000 0.004344 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 3.699481556320035,
"density_atomic": 0.06324506606920001,
"volume": 63.246040341287234,
"volume_molar": 9.521913936196754,
"formula_full": "Nb1 O3",
"formula_reduced": "NbO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.654097475,
"spacegroup": 221
}
]
}