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=1205",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1203",
"results": [
{
"id": "jvasp-42743",
"created_at": "2022-09-04T14:36:00.900258Z",
"updated_at": "2022-09-04T14:36:00.900283Z",
"structure_string": "Co8 O12 F4\n1.0\n0.000000 0.000000 -5.828525\n4.477552 4.477552 0.000000\n4.263230 -4.263230 2.914262\nCo O F\n8 12 4\ndirect\n0.000507 0.973601 0.001015 Co\n0.500507 0.026399 0.001015 Co\n0.500587 -0.000000 0.501174 Co\n0.749412 0.500000 0.998826 Co\n0.249413 0.500000 0.998826 Co\n0.000588 -0.000000 0.501174 Co\n0.249493 0.473601 0.498985 Co\n0.749492 0.526399 0.498985 Co\n0.751662 0.815161 0.503324 O\n0.597421 0.500000 0.694844 O\n0.097422 0.500000 0.694844 O\n0.652578 -0.000000 0.805155 O\n0.901818 0.500000 0.303638 O\n0.152578 -0.000000 0.805155 O\n0.251662 0.184839 0.503324 O\n0.998338 0.684838 0.996676 O\n0.498338 0.315161 0.996676 O\n0.848181 -0.000000 0.196362 O\n0.348181 -0.000000 0.196362 O\n0.401818 0.500000 0.303638 O\n0.501447 0.718852 0.002896 F\n0.001448 0.281147 0.002896 F\n0.748552 0.218853 0.497104 F\n0.248552 0.781147 0.497104 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.518118321876985,
"density_atomic": 0.10785571963625029,
"volume": 222.51949253077538,
"volume_molar": 5.583515441100408,
"formula_full": "Co8 O12 F4",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3119504304166667,
"spacegroup": 64
},
{
"id": "jvasp-94342",
"created_at": "2022-09-04T14:35:55.215551Z",
"updated_at": "2022-09-04T14:35:55.215574Z",
"structure_string": "Ca2 Co1 O3\n1.0\n3.584279 1.831769 0.098411\n3.584279 -1.831769 0.098411\n-1.164126 0.000000 -6.803556\nCa Co O\n2 1 3\ndirect\n0.859137 0.859137 0.776634 Ca\n0.140863 0.140863 0.223367 Ca\n0.500000 0.500000 0.500000 Co\n-0.000000 -0.000000 0.500000 O\n0.456052 0.456052 0.207891 O\n0.543948 0.543948 0.792110 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 3.493817716336728,
"density_atomic": 0.06747732657723711,
"volume": 88.91875692692378,
"volume_molar": 8.924687840302667,
"formula_full": "Ca2 Co1 O3",
"formula_reduced": "Ca2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.42095204,
"spacegroup": 12
},
{
"id": "jvasp-107763",
"created_at": "2022-09-04T14:35:50.058750Z",
"updated_at": "2022-09-04T14:35:50.058768Z",
"structure_string": "Er2 Al1 Fe3\n1.0\n4.461783 -0.000000 2.590590\n-2.982963 4.209584 0.000000\n0.005781 0.004096 5.127612\nEr Al Fe\n2 1 3\ndirect\n0.504999 0.752500 0.742501 Er\n0.995000 0.997499 0.007499 Er\n0.750000 0.375000 0.875000 Al\n0.250000 0.375000 0.375000 Fe\n0.250000 0.875000 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Al",
"Fe"
],
"chemical_system": "Al-Er-Fe",
"density": 9.130563451352018,
"density_atomic": 0.06236137831756501,
"volume": 96.21339620567704,
"volume_molar": 9.656843582470618,
"formula_full": "Er2 Al1 Fe3",
"formula_reduced": "Er2AlFe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.6774932166666665,
"spacegroup": 166
},
{
"id": "jvasp-86727",
"created_at": "2022-09-04T14:35:49.026336Z",
"updated_at": "2022-09-04T14:35:49.026362Z",
"structure_string": "Sm1 Si2 Rh3\n1.0\n5.568349 -0.000000 0.000000\n-2.784175 4.822332 -0.000000\n0.000000 0.000000 3.679124\nSm Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.500000 0.500000 0.499999 Rh\n0.500000 0.000000 0.499999 Rh\n0.000000 0.500000 0.499999 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Sm",
"density": 8.660381258132793,
"density_atomic": 0.060732795392231774,
"volume": 98.79341073056304,
"volume_molar": 9.915797092999087,
"formula_full": "Sm1 Si2 Rh3",
"formula_reduced": "SmSi2Rh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.8870941791666667,
"spacegroup": 191
},
{
"id": "jvasp-47965",
"created_at": "2022-09-04T14:35:54.246846Z",
"updated_at": "2022-09-04T14:35:54.246879Z",
"structure_string": "Fe8 O4 F12\n1.0\n4.793834 -0.127143 0.000000\n-0.127143 4.793834 0.000000\n0.000000 0.000000 12.370921\nFe O F\n8 4 12\ndirect\n0.964875 0.964875 0.000000 Fe\n0.024503 0.024503 0.250693 Fe\n0.018312 0.018312 0.500000 Fe\n0.024503 0.024503 0.749307 Fe\n0.478707 0.478707 0.626099 Fe\n0.498559 0.498559 0.124338 Fe\n0.498559 0.498559 0.875662 Fe\n0.478707 0.478707 0.373901 Fe\n0.311559 0.311559 0.753745 O\n0.678964 0.678964 0.000000 O\n0.308237 0.308237 0.500000 O\n0.311559 0.311559 0.246254 O\n0.797119 0.191225 0.125261 F\n0.191225 0.797119 0.125261 F\n0.204643 0.803069 0.375034 F\n0.204643 0.803069 0.624966 F\n0.191225 0.797119 0.874739 F\n0.277459 0.277459 0.000000 F\n0.712319 0.712319 0.253941 F\n0.708743 0.708743 0.500000 F\n0.712319 0.712319 0.746059 F\n0.803069 0.204643 0.375034 F\n0.803069 0.204643 0.624966 F\n0.797119 0.191225 0.874739 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.317947725096724,
"density_atomic": 0.08447901227988552,
"volume": 284.09423065324364,
"volume_molar": 7.128564358740583,
"formula_full": "Fe8 O4 F12",
"formula_reduced": "Fe2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3199525579166669,
"spacegroup": 38
},
{
"id": "jvasp-105969",
"created_at": "2022-09-04T14:36:01.499774Z",
"updated_at": "2022-09-04T14:36:01.499796Z",
"structure_string": "U2 Si3 Ru1\n1.0\n3.686925 0.000000 0.000000\n0.000000 4.198600 0.000035\n0.000000 -0.000093 7.115997\nU Si Ru\n2 3 1\ndirect\n0.000000 0.999969 0.006104 U\n0.000000 0.499960 0.495564 U\n0.500001 0.499965 0.831164 Si\n0.500001 0.499971 0.160791 Si\n0.500001 0.999962 0.672714 Si\n0.500001 -0.000026 0.333661 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-U",
"density": 9.970075129756129,
"density_atomic": 0.05446865977099273,
"volume": 110.15508781061102,
"volume_molar": 11.056157403760997,
"formula_full": "U2 Si3 Ru1",
"formula_reduced": "U2Si3Ru",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.716224716666667,
"spacegroup": 25
},
{
"id": "jvasp-93728",
"created_at": "2022-09-04T14:35:50.131612Z",
"updated_at": "2022-09-04T14:35:50.131634Z",
"structure_string": "Zr2 H3 Pd1\n1.0\n3.244926 -0.000000 0.000000\n-0.000000 3.244926 0.000000\n-1.622463 -1.622463 6.566054\nZr H Pd\n2 3 1\ndirect\n0.645219 0.645219 0.290435 Zr\n0.354784 0.354784 0.709565 Zr\n0.500001 0.500001 -0.000000 H\n0.250001 0.750001 0.500000 H\n0.750001 0.250001 0.500000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"H",
"Pd"
],
"chemical_system": "H-Pd-Zr",
"density": 7.010628876372442,
"density_atomic": 0.08678350888536472,
"volume": 69.13755939421168,
"volume_molar": 6.93926857458005,
"formula_full": "Zr2 H3 Pd1",
"formula_reduced": "Zr2H3Pd",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.2672774500000004,
"spacegroup": 139
},
{
"id": "jvasp-98982",
"created_at": "2022-09-04T14:35:47.597211Z",
"updated_at": "2022-09-04T14:35:47.597231Z",
"structure_string": "Ba8 Zn4 O12\n1.0\n5.863206 -0.000000 0.361740\n2.931604 5.755350 0.180870\n-0.024339 0.000000 12.717259\nBa Zn O\n8 4 12\ndirect\n0.862681 0.791962 0.424994 Ba\n0.137319 0.208037 0.575006 Ba\n0.654642 0.208037 0.924994 Ba\n0.562351 0.410365 0.347471 Ba\n0.972716 0.589635 0.847471 Ba\n0.437649 0.589635 0.652530 Ba\n0.027284 0.410365 0.152530 Ba\n0.345358 0.791962 0.075006 Ba\n0.726191 0.004125 0.163621 Zn\n0.273809 0.995875 0.836379 Zn\n0.269685 0.004125 0.336379 Zn\n0.730315 0.995875 0.663621 Zn\n0.131881 0.197285 0.965342 O\n0.856408 0.657179 0.633149 O\n0.486413 0.657179 0.866851 O\n0.143592 0.342821 0.366851 O\n0.404546 0.190910 0.750000 O\n0.996289 0.007424 0.250000 O\n0.003711 0.992576 0.750000 O\n0.329164 0.802715 0.465342 O\n0.868119 0.802715 0.034658 O\n0.670836 0.197285 0.534658 O\n0.513587 0.342821 0.133149 O\n0.595454 0.809090 0.250000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"O"
],
"chemical_system": "Ba-O-Zn",
"density": 6.0056168928875575,
"density_atomic": 0.05591902044126207,
"volume": 429.1920675758234,
"volume_molar": 10.76939601673767,
"formula_full": "Ba8 Zn4 O12",
"formula_reduced": "Ba2ZnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5580471616666668,
"spacegroup": 15
},
{
"id": "jvasp-63406",
"created_at": "2022-09-04T14:35:47.924168Z",
"updated_at": "2022-09-04T14:35:47.924199Z",
"structure_string": "Li12 B4 N8\n1.0\n-3.284360 3.284360 5.141010\n3.284360 -3.284360 5.141010\n3.284360 3.284360 -5.141010\nLi B N\n12 4 8\ndirect\n0.476104 0.523896 0.500000 Li\n0.273896 0.726104 0.000000 Li\n0.726104 0.273896 0.000000 Li\n0.023896 0.523896 0.047793 Li\n0.124638 0.124638 0.000000 Li\n0.874638 0.374638 0.500000 Li\n0.625362 0.125362 0.500000 Li\n0.875362 0.875362 0.000000 Li\n0.273896 0.273896 0.547793 Li\n0.726104 0.726104 0.452207 Li\n0.023896 0.976104 0.500000 Li\n0.476104 0.976104 0.952207 Li\n0.353739 0.353739 0.000000 B\n0.646261 0.646261 0.000000 B\n0.396261 0.896261 0.500000 B\n0.103739 0.603739 0.500000 B\n0.553748 0.349348 0.204400 N\n0.144948 0.349348 0.795600 N\n0.099348 0.394948 0.295600 N\n0.099348 0.803748 0.704400 N\n0.605052 0.900652 0.704400 N\n0.196252 0.900652 0.295600 N\n0.650652 0.855052 0.204400 N\n0.650652 0.446252 0.795600 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"B",
"N"
],
"chemical_system": "B-Li-N",
"density": 1.786037849147497,
"density_atomic": 0.10819353065485675,
"volume": 221.82472329663875,
"volume_molar": 5.566082115585042,
"formula_full": "Li12 B4 N8",
"formula_reduced": "Li3BN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.9518881805555552,
"spacegroup": 141
},
{
"id": "jvasp-93840",
"created_at": "2022-09-04T14:36:02.460770Z",
"updated_at": "2022-09-04T14:36:02.460803Z",
"structure_string": "Er2 Si1 Rh3\n1.0\n2.773659 1.601373 3.859205\n-2.773659 1.601373 3.859205\n0.000000 -3.202744 3.859205\nEr Si Rh\n2 1 3\ndirect\n0.629602 0.629602 0.629602 Er\n0.370399 0.370399 0.370400 Er\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.000000 Rh\n0.500000 -0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Si",
"Rh"
],
"chemical_system": "Er-Rh-Si",
"density": 10.838874714002472,
"density_atomic": 0.05833870216613656,
"volume": 102.84767705173215,
"volume_molar": 10.322719800742547,
"formula_full": "Er2 Si1 Rh3",
"formula_reduced": "Er2SiRh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.5237596,
"spacegroup": 166
},
{
"id": "jvasp-111339",
"created_at": "2022-09-04T14:38:49.492237Z",
"updated_at": "2022-09-04T14:38:49.492256Z",
"structure_string": "Tb2 In3 Cu1\n1.0\n4.705418 0.000000 0.000000\n-2.352710 4.075011 0.000000\n0.000000 -0.000000 7.477942\nTb In Cu\n2 3 1\ndirect\n0.000000 0.000000 0.723177 Tb\n0.000000 0.000000 0.263032 Tb\n0.333333 0.666667 0.482067 In\n0.333333 0.666667 0.052903 In\n0.666667 0.333333 0.933621 In\n0.666667 0.333333 0.545199 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"In",
"Cu"
],
"chemical_system": "Cu-In-Tb",
"density": 8.405959827935403,
"density_atomic": 0.041844864232459554,
"volume": 143.38677183102746,
"volume_molar": 14.391588718140838,
"formula_full": "Tb2 In3 Cu1",
"formula_reduced": "Tb2In3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1520982695833335,
"spacegroup": 156
},
{
"id": "jvasp-119696",
"created_at": "2022-09-04T14:38:52.486098Z",
"updated_at": "2022-09-04T14:38:52.486122Z",
"structure_string": "Li2 Fe4 O6\n1.0\n2.882211 -0.000108 0.000212\n0.000166 4.991978 0.040643\n-0.000612 -0.142016 7.288945\nLi Fe O\n2 4 6\ndirect\n0.500003 0.499739 0.490927 Li\n-0.000019 0.000293 0.509076 Li\n0.000007 0.678432 0.177378 Fe\n0.499992 0.821562 0.822620 Fe\n0.500017 0.151123 0.176129 Fe\n-0.000011 0.348877 0.823869 Fe\n0.499999 0.526959 0.008031 O\n0.000001 0.973037 0.991967 O\n0.499984 0.149957 0.682105 O\n-0.000013 0.680660 0.673808 O\n0.500012 0.819341 0.326187 O\n0.000018 0.350039 0.317897 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 5.275920043332111,
"density_atomic": 0.11440611783684174,
"volume": 104.88949565716047,
"volume_molar": 5.263827559106908,
"formula_full": "Li2 Fe4 O6",
"formula_reduced": "LiFe2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.484883583333333,
"spacegroup": 11
}
]
}