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=energy_above_hull&page=64",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=62",
"results": [
{
"id": "jvasp-66126",
"created_at": "2022-09-04T14:35:42.943620Z",
"updated_at": "2022-09-04T14:35:42.943658Z",
"structure_string": "Ba1 Ca1 Hg1\n1.0\n-0.000000 3.935268 3.935268\n3.935268 0.000000 3.935268\n3.935268 3.935268 0.000000\nBa Ca Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Hg"
],
"chemical_system": "Ba-Ca-Hg",
"density": 5.1497033814029205,
"density_atomic": 0.024613213385711596,
"volume": 121.88575107960315,
"volume_molar": 24.46710498798974,
"formula_full": "Ba1 Ca1 Hg1",
"formula_reduced": "BaCaHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-22620",
"created_at": "2022-09-04T14:35:52.757177Z",
"updated_at": "2022-09-04T14:35:52.757203Z",
"structure_string": "K1 Ni1 F3\n1.0\n3.990140 -0.000000 0.000000\n-0.000000 3.990140 0.000000\n0.000000 -0.000000 3.990140\nK Ni F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ni",
"F"
],
"chemical_system": "F-K-Ni",
"density": 4.045935224374984,
"density_atomic": 0.07870559435036496,
"volume": 63.52788567661474,
"volume_molar": 7.6514773945952355,
"formula_full": "K1 Ni1 F3",
"formula_reduced": "KNiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-91446",
"created_at": "2022-09-04T14:36:03.672482Z",
"updated_at": "2022-09-04T14:36:03.672504Z",
"structure_string": "Ba2 Ni1 F6\n1.0\n3.991737 0.000000 -0.976681\n-0.238970 3.984578 -0.976681\n-0.016162 -0.017160 8.579494\nBa Ni F\n2 1 6\ndirect\n0.850816 0.850815 0.701631 Ba\n0.149185 0.149185 0.298369 Ba\n0.500000 0.500000 0.000000 Ni\n0.620570 0.620570 0.241139 F\n0.379431 0.379430 0.758860 F\n0.000000 0.500000 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 5.4488497593046255,
"density_atomic": 0.06601804039413056,
"volume": 136.32637300758415,
"volume_molar": 9.121962306132627,
"formula_full": "Ba2 Ni1 F6",
"formula_reduced": "Ba2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-91868",
"created_at": "2022-09-04T14:35:57.444606Z",
"updated_at": "2022-09-04T14:35:57.444633Z",
"structure_string": "Mg7 B1\n1.0\n6.149992 -0.000000 0.000000\n-3.074995 5.326048 -0.000000\n0.000000 0.000000 4.872530\nMg B\n7 1\ndirect\n0.165792 0.832896 0.250000 Mg\n0.667104 0.334208 0.250000 Mg\n0.667104 0.832896 0.250000 Mg\n0.325919 0.174081 0.750000 Mg\n0.325919 0.651840 0.750000 Mg\n0.848160 0.174081 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"B"
],
"chemical_system": "B-Mg",
"density": 1.882625495313831,
"density_atomic": 0.05012516766355747,
"volume": 159.60046365722673,
"volume_molar": 12.014205718813546,
"formula_full": "Mg7 B1",
"formula_reduced": "Mg7B",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-105668",
"created_at": "2022-09-04T14:35:42.695671Z",
"updated_at": "2022-09-04T14:35:42.695694Z",
"structure_string": "Rb2 Cu1 Sb1 Cl6\n1.0\n6.312934 -0.000000 3.644774\n2.104312 5.951891 3.644774\n-0.000000 -0.000000 7.289548\nRb Cu Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741346 0.258654 0.258654 Cl\n0.258654 0.258654 0.741346 Cl\n0.258653 0.741346 0.741346 Cl\n0.258653 0.741346 0.258653 Cl\n0.741346 0.258654 0.741346 Cl\n0.741346 0.741346 0.258653 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cu-Rb-Sb",
"density": 3.4494011910142963,
"density_atomic": 0.03651011340203833,
"volume": 273.8967115736679,
"volume_molar": 16.494445507977492,
"formula_full": "Rb2 Cu1 Sb1 Cl6",
"formula_reduced": "Rb2CuSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102267",
"created_at": "2022-09-04T14:36:30.853018Z",
"updated_at": "2022-09-04T14:36:30.853147Z",
"structure_string": "Rb2 Tl1 Rh1 F6\n1.0\n5.579170 -0.000000 3.221135\n1.859723 5.260092 3.221135\n-0.000000 -0.000000 6.442270\nRb Tl Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Rh\n0.219826 0.219826 0.780175 F\n0.219825 0.780174 0.780175 F\n0.780174 0.780174 0.219827 F\n0.219825 0.780174 0.219827 F\n0.780174 0.219826 0.780175 F\n0.780174 0.219826 0.219827 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Rh",
"F"
],
"chemical_system": "F-Rb-Rh-Tl",
"density": 5.201474944387028,
"density_atomic": 0.05289299299847168,
"volume": 189.06095936542948,
"volume_molar": 11.385517095192565,
"formula_full": "Rb2 Tl1 Rh1 F6",
"formula_reduced": "Rb2TlRhF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3798",
"created_at": "2022-09-04T14:35:45.745424Z",
"updated_at": "2022-09-04T14:35:45.745449Z",
"structure_string": "Na1 Bi1 F6\n1.0\n4.824248 0.092911 3.592553\n1.855270 4.454208 3.592553\n0.136481 0.092910 6.013416\nNa Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.395780 0.763228 0.072895 F\n0.072895 0.395781 0.763228 F\n0.763228 0.072895 0.395780 F\n0.604220 0.236773 0.927105 F\n0.927105 0.604220 0.236772 F\n0.236772 0.927105 0.604219 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Bi",
"F"
],
"chemical_system": "Bi-F-Na",
"density": 4.593954422009585,
"density_atomic": 0.06397362267297932,
"volume": 125.05153945860529,
"volume_molar": 9.413474660930191,
"formula_full": "Na1 Bi1 F6",
"formula_reduced": "NaBiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-91873",
"created_at": "2022-09-04T14:36:17.411952Z",
"updated_at": "2022-09-04T14:36:17.411979Z",
"structure_string": "Mg7 Sb1\n1.0\n6.362579 -0.000000 0.000000\n-3.181290 5.510155 -0.000000\n0.000000 -0.000000 5.240611\nMg Sb\n7 1\ndirect\n0.164529 0.832263 0.250000 Mg\n0.667736 0.335470 0.250000 Mg\n0.667736 0.832263 0.250000 Mg\n0.336842 0.163158 0.750000 Mg\n0.336841 0.673685 0.750000 Mg\n0.826315 0.163158 0.750000 Mg\n0.833333 0.666666 0.750000 Mg\n0.166667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 2.6381338462832455,
"density_atomic": 0.043542269299654164,
"volume": 183.72951453091903,
"volume_molar": 13.830562478395748,
"formula_full": "Mg7 Sb1",
"formula_reduced": "Mg7Sb",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-105656",
"created_at": "2022-09-04T14:36:17.018715Z",
"updated_at": "2022-09-04T14:36:17.018737Z",
"structure_string": "Na2 Li1 Lu1 Cl6\n1.0\n6.137369 0.000000 3.543411\n2.045790 5.786366 3.543411\n0.000000 0.000000 7.086823\nNa Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Lu\n0.746343 0.253658 0.253657 Cl\n0.253658 0.253658 0.746342 Cl\n0.253658 0.746343 0.746342 Cl\n0.253658 0.746343 0.253657 Cl\n0.746343 0.253658 0.746342 Cl\n0.746342 0.746343 0.253657 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Lu",
"Cl"
],
"chemical_system": "Cl-Li-Lu-Na",
"density": 2.907095694723146,
"density_atomic": 0.03973381619232362,
"volume": 251.67479387323363,
"volume_molar": 15.156210344485983,
"formula_full": "Na2 Li1 Lu1 Cl6",
"formula_reduced": "Na2LiLuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105669",
"created_at": "2022-09-04T14:35:45.264196Z",
"updated_at": "2022-09-04T14:35:45.264218Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n6.699113 -0.000000 3.867735\n2.233038 6.315985 3.867735\n-0.000000 -0.000000 7.735469\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.769009 0.230991 0.230992 Br\n0.230991 0.230991 0.769010 Br\n0.230991 0.769009 0.769010 Br\n0.230991 0.769009 0.230991 Br\n0.769009 0.230991 0.769010 Br\n0.769009 0.769009 0.230992 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Hg",
"Br"
],
"chemical_system": "Al-Br-Hg-Rb",
"density": 4.454146600199461,
"density_atomic": 0.030553077140105245,
"volume": 327.299275098991,
"volume_molar": 19.710423052920866,
"formula_full": "Rb2 Al1 Hg1 Br6",
"formula_reduced": "Rb2AlHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-91734",
"created_at": "2022-09-04T14:35:49.360265Z",
"updated_at": "2022-09-04T14:35:49.360297Z",
"structure_string": "Na4 Mg2 Pb2\n1.0\n-2.560589 -4.434920 0.000000\n-2.560589 4.434920 -0.000000\n0.000000 0.000000 -10.116342\nNa Mg Pb\n4 2 2\ndirect\n0.666675 0.333326 0.078895 Na\n0.333326 0.666675 0.921104 Na\n0.333326 0.666675 0.578895 Na\n0.666675 0.333326 0.421105 Na\n-0.000012 0.000012 0.750000 Mg\n0.000012 -0.000012 0.250000 Mg\n0.666655 0.333346 0.750000 Pb\n0.333346 0.666655 0.250000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Pb"
],
"chemical_system": "Mg-Na-Pb",
"density": 4.010871221002233,
"density_atomic": 0.03481856134659244,
"volume": 229.76250857598774,
"volume_molar": 17.29577710019132,
"formula_full": "Na4 Mg2 Pb2",
"formula_reduced": "Na2MgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-7705",
"created_at": "2022-09-04T14:37:07.882262Z",
"updated_at": "2022-09-04T14:37:07.882286Z",
"structure_string": "Mg1 Cu1 Sn1\n1.0\n3.816653 0.000000 2.203545\n1.272218 3.598374 2.203545\n0.000000 0.000000 4.407091\nMg Cu Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250001 Mg\n0.000000 0.000000 0.000000 Cu\n0.750000 0.749999 0.750002 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Sn"
],
"chemical_system": "Cu-Mg-Sn",
"density": 5.6670419799208736,
"density_atomic": 0.04956558765842499,
"volume": 60.52586364302029,
"volume_molar": 12.149842349294484,
"formula_full": "Mg1 Cu1 Sn1",
"formula_reduced": "MgCuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}