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=id&page=100",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=98",
"results": [
{
"id": "jvasp-101476",
"created_at": "2022-09-04T14:36:58.142973Z",
"updated_at": "2022-09-04T14:36:58.143005Z",
"structure_string": "Mn1 Ni3 O4\n1.0\n5.555638 -0.428286 0.000000\n-2.265474 5.090793 0.000000\n0.000000 0.000000 2.858652\nMn Ni O\n1 3 4\ndirect\n0.500000 0.499999 0.000000 Mn\n0.000000 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.211081 0.788919 0.000000 O\n0.728660 0.728659 0.500000 O\n0.271340 0.271340 0.500000 O\n0.788920 0.211080 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 6.2744312255415435,
"density_atomic": 0.10246367083695684,
"volume": 78.07645319217414,
"volume_molar": 5.877342389560299,
"formula_full": "Mn1 Ni3 O4",
"formula_reduced": "MnNi3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.366978555172414,
"spacegroup": 65
},
{
"id": "jvasp-101477",
"created_at": "2022-09-04T14:36:34.511625Z",
"updated_at": "2022-09-04T14:36:34.511658Z",
"structure_string": "Li1 Ca1 Sb1\n1.0\n4.076494 -0.000000 2.353565\n1.358831 3.843356 2.353565\n0.000000 -0.000000 4.707130\nLi Ca Sb\n1 1 1\ndirect\n0.749999 0.750001 0.750002 Li\n0.499999 0.500001 0.500001 Ca\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Sb"
],
"chemical_system": "Ca-Li-Sb",
"density": 3.800265096008632,
"density_atomic": 0.040678753887724864,
"volume": 73.74857175517546,
"volume_molar": 14.804142665287564,
"formula_full": "Li1 Ca1 Sb1",
"formula_reduced": "LiCaSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2563588400000002,
"spacegroup": 216
},
{
"id": "jvasp-101478",
"created_at": "2022-09-04T14:36:45.957866Z",
"updated_at": "2022-09-04T14:36:45.957892Z",
"structure_string": "Tb1 Bi1 Pd2\n1.0\n4.251683 -0.000000 2.454710\n1.417228 4.008525 2.454710\n-0.000000 -0.000000 4.909421\nTb Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500001 0.500000 Bi\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750001 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd-Tb",
"density": 11.525489744101021,
"density_atomic": 0.04780620200209726,
"volume": 83.67115212006425,
"volume_molar": 12.596986390459984,
"formula_full": "Tb1 Bi1 Pd2",
"formula_reduced": "TbBiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.223463525,
"spacegroup": 225
},
{
"id": "jvasp-101479",
"created_at": "2022-09-04T14:36:35.856386Z",
"updated_at": "2022-09-04T14:36:35.856407Z",
"structure_string": "K1 Na2 Al1 F6\n1.0\n5.186480 -0.000000 2.994416\n1.728827 4.889860 2.994416\n-0.000000 -0.000000 5.988831\nK Na Al F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750001 Na\n0.000000 0.000000 0.000000 Al\n0.214286 0.214285 0.785715 F\n0.214286 0.785715 0.785715 F\n0.785715 0.785715 0.214286 F\n0.214286 0.785715 0.214286 F\n0.785715 0.214285 0.785715 F\n0.785715 0.214285 0.214286 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-K-Na",
"density": 2.4713942227047507,
"density_atomic": 0.06583984647356075,
"volume": 151.8837077485545,
"volume_molar": 9.14665067212498,
"formula_full": "K1 Na2 Al1 F6",
"formula_reduced": "KNa2AlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10148",
"created_at": "2022-09-04T14:36:48.506693Z",
"updated_at": "2022-09-04T14:36:48.506710Z",
"structure_string": "Rb3 Tl1 F6\n1.0\n5.900530 -0.000000 -3.359176\n-1.912380 5.582030 -3.359176\n0.013106 0.018344 6.884871\nRb Tl F\n3 1 6\ndirect\n0.750000 0.250000 0.499999 Rb\n0.250000 0.750000 0.499999 Rb\n0.500000 0.500000 -0.000001 Rb\n0.000000 0.000000 0.000000 Tl\n0.683962 0.000000 -0.000000 F\n0.000000 0.683962 -0.000000 F\n0.000000 0.316038 -0.000000 F\n0.316038 0.000000 -0.000000 F\n0.232840 0.232840 0.465680 F\n0.767160 0.767160 0.534319 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"F"
],
"chemical_system": "F-Rb-Tl",
"density": 4.195455493617771,
"density_atomic": 0.043957253515551485,
"volume": 227.49373994583476,
"volume_molar": 13.699993239726517,
"formula_full": "Rb3 Tl1 F6",
"formula_reduced": "Rb3TlF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-101480",
"created_at": "2022-09-04T14:36:35.259416Z",
"updated_at": "2022-09-04T14:36:35.259450Z",
"structure_string": "Li3 Ga1 F6\n1.0\n4.671981 -0.000000 2.697370\n1.557327 4.404786 2.697370\n-0.000000 -0.000000 5.394739\nLi Ga F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.247795 0.247796 0.752205 F\n0.247796 0.752205 0.752204 F\n0.752205 0.752205 0.247795 F\n0.247796 0.752205 0.247795 F\n0.752204 0.247796 0.752205 F\n0.752204 0.247796 0.247796 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ga",
"F"
],
"chemical_system": "F-Ga-Li",
"density": 3.0593095767499277,
"density_atomic": 0.09007487751096256,
"volume": 111.01874658428429,
"volume_molar": 6.685705189293292,
"formula_full": "Li3 Ga1 F6",
"formula_reduced": "Li3GaF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101481",
"created_at": "2022-09-04T14:36:36.081919Z",
"updated_at": "2022-09-04T14:36:36.081939Z",
"structure_string": "K3 Ga1 F6\n1.0\n5.349850 -0.000000 3.088738\n1.783283 5.043887 3.088738\n-0.000000 -0.000000 6.177475\nK Ga F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750001 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Ga\n0.781011 0.218988 0.218989 F\n0.218988 0.781012 0.781013 F\n0.218988 0.781012 0.218989 F\n0.781011 0.218988 0.781013 F\n0.218988 0.218988 0.781013 F\n0.781011 0.781012 0.218989 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ga",
"F"
],
"chemical_system": "F-Ga-K",
"density": 2.9985386143023933,
"density_atomic": 0.059990440343499624,
"volume": 166.69322549961194,
"volume_molar": 10.038500676970845,
"formula_full": "K3 Ga1 F6",
"formula_reduced": "K3GaF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101482",
"created_at": "2022-09-04T14:36:35.483015Z",
"updated_at": "2022-09-04T14:36:35.483041Z",
"structure_string": "K3 Pd1 F6\n1.0\n5.472310 -0.000000 3.159440\n1.824103 5.159343 3.159440\n-0.000000 -0.000000 6.318879\nK Pd F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.772401 0.227598 0.227599 F\n0.227598 0.227598 0.772402 F\n0.227598 0.772401 0.772402 F\n0.227598 0.772401 0.227599 F\n0.772401 0.227598 0.772402 F\n0.772401 0.772401 0.227599 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Pd",
"F"
],
"chemical_system": "F-K-Pd",
"density": 3.1432712956735736,
"density_atomic": 0.05605248457678239,
"volume": 178.4042237467939,
"volume_molar": 10.743753475817275,
"formula_full": "K3 Pd1 F6",
"formula_reduced": "K3PdF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101484",
"created_at": "2022-09-04T14:36:49.581965Z",
"updated_at": "2022-09-04T14:36:49.581986Z",
"structure_string": "K3 La1 Cl6\n1.0\n6.931826 -0.000000 4.002092\n2.310609 6.535388 4.002092\n-0.000000 -0.000000 8.004183\nK La Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 La\n0.756911 0.243090 0.243089 Cl\n0.243090 0.243090 0.756910 Cl\n0.243090 0.756910 0.756909 Cl\n0.243090 0.756910 0.243089 Cl\n0.756911 0.243090 0.756909 Cl\n0.756911 0.756910 0.243089 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"La",
"Cl"
],
"chemical_system": "Cl-K-La",
"density": 2.1473869313207437,
"density_atomic": 0.02757807584093357,
"volume": 362.60687865529786,
"volume_molar": 21.836696638064435,
"formula_full": "K3 La1 Cl6",
"formula_reduced": "K3LaCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101486",
"created_at": "2022-09-04T14:36:37.459095Z",
"updated_at": "2022-09-04T14:36:37.459122Z",
"structure_string": "K2 Rb1 Au1 Br6\n1.0\n7.049783 -0.000000 4.070194\n2.349928 6.646599 4.070194\n-0.000000 -0.000000 8.140389\nK Rb Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.770365 0.229635 0.229634 Br\n0.229635 0.229635 0.770365 Br\n0.229635 0.770365 0.770365 Br\n0.229635 0.770365 0.229634 Br\n0.770365 0.229635 0.770365 Br\n0.770365 0.770365 0.229634 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-K-Rb",
"density": 3.6570964704876054,
"density_atomic": 0.026216795969915167,
"volume": 381.43486379782655,
"volume_molar": 22.970544405619403,
"formula_full": "K2 Rb1 Au1 Br6",
"formula_reduced": "K2RbAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101487",
"created_at": "2022-09-04T14:36:37.296634Z",
"updated_at": "2022-09-04T14:36:37.296658Z",
"structure_string": "K2 Li1 As1 F6\n1.0\n5.028486 -0.000000 2.903198\n1.676162 4.740902 2.903198\n-0.000000 -0.000000 5.806396\nK Li As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 As\n0.748300 0.251700 0.251701 F\n0.251701 0.251700 0.748300 F\n0.251700 0.748299 0.748301 F\n0.251700 0.748299 0.251701 F\n0.748300 0.251700 0.748300 F\n0.748300 0.748299 0.251701 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"As",
"F"
],
"chemical_system": "As-F-K-Li",
"density": 3.287558014092071,
"density_atomic": 0.07224289229871818,
"volume": 138.42192196086026,
"volume_molar": 8.335962983180357,
"formula_full": "K2 Li1 As1 F6",
"formula_reduced": "K2LiAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101489",
"created_at": "2022-09-04T14:36:51.775199Z",
"updated_at": "2022-09-04T14:36:51.775222Z",
"structure_string": "K2 Sc1 Hg1 Br6\n1.0\n6.858176 -0.000000 3.959570\n2.286059 6.465950 3.959570\n-0.000000 -0.000000 7.919139\nK Sc Hg Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.764110 0.235890 0.235890 Br\n0.235890 0.235890 0.764110 Br\n0.235890 0.764110 0.764110 Br\n0.235890 0.764110 0.235890 Br\n0.764110 0.235890 0.764110 Br\n0.764110 0.764110 0.235890 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-K-Sc",
"density": 3.79783205439052,
"density_atomic": 0.028476136492956074,
"volume": 351.1712342885287,
"volume_molar": 21.14802603748458,
"formula_full": "K2 Sc1 Hg1 Br6",
"formula_reduced": "K2ScHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}