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=4182",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4180",
"results": [
{
"id": "jvasp-118340",
"created_at": "2022-09-04T14:38:38.925096Z",
"updated_at": "2022-09-04T14:38:38.925124Z",
"structure_string": "Ti1 O1 F4\n1.0\n-2.748622 2.748622 2.242766\n2.748622 -2.748622 2.242766\n2.748622 2.748622 -2.242766\nTi O F\n1 1 4\ndirect\n0.114646 0.114646 -0.000000 Ti\n0.578264 0.578264 -0.000000 O\n0.910091 0.343416 0.169508 F\n0.740583 0.910091 0.566676 F\n0.343415 0.173908 0.433325 F\n0.173908 0.740583 0.830493 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.4266414944367147,
"density_atomic": 0.08852730816003151,
"volume": 67.7756968409539,
"volume_molar": 6.8025797747218615,
"formula_full": "Ti1 O1 F4",
"formula_reduced": "TiOF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6616704938888891,
"spacegroup": 79
},
{
"id": "jvasp-114393",
"created_at": "2022-09-04T14:38:41.159881Z",
"updated_at": "2022-09-04T14:38:41.159897Z",
"structure_string": "Zn1 Sn1 O4\n1.0\n-2.013180 2.013180 4.918479\n2.013180 -2.013180 4.918479\n2.013180 2.013180 -4.918479\nZn Sn O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n0.545025 0.045025 0.500000 O\n0.213055 0.213055 0.000000 O\n0.954975 0.454975 0.500000 O\n0.786944 0.786944 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.16712409145883,
"density_atomic": 0.07524804534780569,
"volume": 79.73629045468576,
"volume_molar": 8.003052746639367,
"formula_full": "Zn1 Sn1 O4",
"formula_reduced": "ZnSnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4012126833333336,
"spacegroup": 119
},
{
"id": "jvasp-110493",
"created_at": "2022-09-04T14:38:37.988269Z",
"updated_at": "2022-09-04T14:38:37.988291Z",
"structure_string": "Tm1 Cd1 Cu4\n1.0\n4.387285 -0.000000 2.533000\n1.462428 4.136372 2.533000\n-0.000000 -0.000000 5.066001\nTm Cd Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Cd\n0.624479 0.624478 0.624478 Cu\n0.624479 0.624478 0.126566 Cu\n0.624479 0.126566 0.624478 Cu\n0.126566 0.624478 0.624478 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Tm",
"density": 9.672785417216737,
"density_atomic": 0.06526352728048367,
"volume": 91.93496352432416,
"volume_molar": 9.22742151848243,
"formula_full": "Tm1 Cd1 Cu4",
"formula_reduced": "TmCdCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-106370",
"created_at": "2022-09-04T14:38:41.326376Z",
"updated_at": "2022-09-04T14:38:41.326405Z",
"structure_string": "Ce1 Y1 Co4\n1.0\n4.338993 0.000000 2.505119\n-2.892662 4.090841 0.000000\n0.000000 0.000000 5.010237\nCe Y Co\n1 1 4\ndirect\n0.500000 0.750000 0.750001 Ce\n0.000000 0.000000 0.000000 Y\n0.749540 0.374771 0.875690 Co\n0.250459 0.374771 0.374771 Co\n0.250460 0.875688 0.374771 Co\n0.749540 0.374771 0.374771 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Co"
],
"chemical_system": "Ce-Co-Y",
"density": 8.677867269207718,
"density_atomic": 0.06746700495677739,
"volume": 88.9323604011159,
"volume_molar": 8.926053207576167,
"formula_full": "Ce1 Y1 Co4",
"formula_reduced": "CeYCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.3296640916666664,
"spacegroup": 216
},
{
"id": "jvasp-57281",
"created_at": "2022-09-04T14:38:34.613237Z",
"updated_at": "2022-09-04T14:38:34.613259Z",
"structure_string": "Al3 P3 O12\n1.0\n2.691752 -4.662251 -0.000000\n2.691752 4.662251 0.000000\n-0.000000 0.000000 10.883574\nAl P O\n3 3 12\ndirect\n-0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.166667 Al\n0.500000 0.500000 0.666667 P\n-0.000000 0.500000 0.333333 P\n0.500000 -0.000000 0.000000 P\n0.705272 0.441967 0.933489 O\n0.441967 0.705272 0.399844 O\n0.736695 0.441967 0.066511 O\n0.441967 0.736695 0.266822 O\n0.294728 0.558032 0.933489 O\n0.263305 0.705272 0.600156 O\n0.263305 0.558032 0.066511 O\n0.705272 0.263305 0.733177 O\n0.736695 0.294727 0.600156 O\n0.558032 0.263305 0.266822 O\n0.558032 0.294728 0.399844 O\n0.294727 0.736695 0.733177 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.2239768443864545,
"density_atomic": 0.06589315158201763,
"volume": 273.169511062091,
"volume_molar": 9.139251371979382,
"formula_full": "Al3 P3 O12",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.567830383333334,
"spacegroup": 181
},
{
"id": "jvasp-56601",
"created_at": "2022-09-04T14:38:34.636418Z",
"updated_at": "2022-09-04T14:38:34.636454Z",
"structure_string": "Ca1 In1 Cu4\n1.0\n4.454300 0.000000 2.571692\n1.484767 4.199555 2.571692\n-0.000000 0.000000 5.143383\nCa In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 In\n0.624472 0.126583 0.624471 Cu\n0.624472 0.624471 0.126583 Cu\n0.126584 0.624471 0.624471 Cu\n0.624472 0.624471 0.624471 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"In",
"Cu"
],
"chemical_system": "Ca-Cu-In",
"density": 7.060342063723291,
"density_atomic": 0.06236194446492224,
"volume": 96.21252274093088,
"volume_molar": 9.656755913676447,
"formula_full": "Ca1 In1 Cu4",
"formula_reduced": "CaInCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-114518",
"created_at": "2022-09-04T14:38:40.998451Z",
"updated_at": "2022-09-04T14:38:40.998486Z",
"structure_string": "V1 B1 O4\n1.0\n-2.364326 2.364326 3.642905\n2.364326 -2.364326 3.642905\n2.364326 2.364326 -3.642905\nV B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 B\n0.590292 0.985393 0.844522 O\n0.254230 0.409708 0.395102 O\n0.140871 0.745770 0.155479 O\n0.014607 0.859128 0.604899 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"B",
"O"
],
"chemical_system": "B-O-V",
"density": 2.5635092166752425,
"density_atomic": 0.07365948821214754,
"volume": 81.45590127804486,
"volume_molar": 8.175648387150835,
"formula_full": "V1 B1 O4",
"formula_reduced": "VBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.0093517972222226,
"spacegroup": 82
},
{
"id": "jvasp-115887",
"created_at": "2022-09-04T14:38:41.013706Z",
"updated_at": "2022-09-04T14:38:41.013734Z",
"structure_string": "W1 N1 Cl4\n1.0\n-4.114456 4.114456 1.989520\n4.114456 -4.114456 1.989520\n4.114456 4.114456 -1.989520\nW N Cl\n1 1 4\ndirect\n0.000370 0.000370 0.000000 W\n0.445206 0.445206 -0.000000 N\n0.199133 0.002937 0.347308 Cl\n0.851826 0.199133 0.196196 Cl\n0.002937 0.655629 0.803804 Cl\n0.655629 0.851826 0.652693 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"N",
"Cl"
],
"chemical_system": "Cl-N-W",
"density": 4.186573259571394,
"density_atomic": 0.044536707253317036,
"volume": 134.72033228395276,
"volume_molar": 13.521746737465596,
"formula_full": "W1 N1 Cl4",
"formula_reduced": "WNCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.414273253333333,
"spacegroup": 79
},
{
"id": "jvasp-20859",
"created_at": "2022-09-04T14:38:34.539174Z",
"updated_at": "2022-09-04T14:38:34.539199Z",
"structure_string": "Ag2 Te8 Au2\n1.0\n0.000000 9.014416 0.054644\n4.502062 0.000000 0.000000\n0.000000 -5.753913 -8.551847\nAg Te Au\n2 8 2\ndirect\n0.500001 0.488826 0.750001 Ag\n0.500001 0.511173 0.250000 Ag\n0.808673 0.412507 0.546832 Te\n0.191328 0.412507 0.953169 Te\n0.299523 0.971914 0.297005 Te\n0.700478 0.971914 0.202996 Te\n0.700479 0.028085 0.702996 Te\n0.299523 0.028085 0.797005 Te\n0.808673 0.587492 0.046832 Te\n0.191328 0.587492 0.453169 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 7.8329926772346505,
"density_atomic": 0.034717398926829436,
"volume": 345.6480142792742,
"volume_molar": 17.346174961702328,
"formula_full": "Ag2 Te8 Au2",
"formula_reduced": "AgTe4Au",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.694055982777778,
"spacegroup": 13
},
{
"id": "jvasp-110948",
"created_at": "2022-09-04T14:38:37.378676Z",
"updated_at": "2022-09-04T14:38:37.378695Z",
"structure_string": "Zr1 Al1 Co4\n1.0\n4.120574 -0.000000 2.379015\n1.373525 3.884915 2.379015\n-0.000000 -0.000000 4.758029\nZr Al Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Al\n0.623719 0.623719 0.128840 Co\n0.623719 0.128840 0.623720 Co\n0.128839 0.623719 0.623720 Co\n0.623719 0.623719 0.623720 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Co"
],
"chemical_system": "Al-Co-Zr",
"density": 7.716322263689948,
"density_atomic": 0.07877436784125809,
"volume": 76.16690764298967,
"volume_molar": 7.644797318000061,
"formula_full": "Zr1 Al1 Co4",
"formula_reduced": "ZrAlCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.4765618166666665,
"spacegroup": 216
},
{
"id": "jvasp-111090",
"created_at": "2022-09-04T14:38:37.353136Z",
"updated_at": "2022-09-04T14:38:37.353162Z",
"structure_string": "Ce1 Cu1 Pt4\n1.0\n5.385460 0.000000 0.000000\n-2.692730 4.663945 0.000000\n0.000000 0.000000 4.342938\nCe Cu Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666666 -0.000000 Cu\n0.666667 0.333333 -0.000000 Pt\n0.004592 0.502296 0.500000 Pt\n0.497703 0.502296 0.500000 Pt\n0.497703 0.995406 0.500000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Pt"
],
"chemical_system": "Ce-Cu-Pt",
"density": 14.979022009422065,
"density_atomic": 0.055003635588111506,
"volume": 109.08369848368424,
"volume_molar": 10.948623114835751,
"formula_full": "Ce1 Cu1 Pt4",
"formula_reduced": "CeCuPt4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1532119250000004,
"spacegroup": 187
},
{
"id": "jvasp-112830",
"created_at": "2022-09-04T14:38:44.059571Z",
"updated_at": "2022-09-04T14:38:44.059595Z",
"structure_string": "V4 Ge4 O16\n1.0\n4.334064 -0.000482 0.000515\n0.000518 4.729152 -0.000021\n-0.001337 0.000049 11.266527\nV Ge O\n4 4 16\ndirect\n0.500004 0.749997 0.056963 V\n-0.000003 0.249999 0.443037 V\n-0.000002 0.750002 0.556963 V\n0.500001 0.250002 0.943038 V\n0.000001 0.750002 0.815951 Ge\n0.499997 0.250003 0.684050 Ge\n0.499999 0.749998 0.315951 Ge\n0.000002 0.249997 0.184050 Ge\n0.744444 0.911669 0.439586 O\n0.755557 0.411669 0.060415 O\n0.244448 0.588331 0.939586 O\n0.255550 0.088333 0.560415 O\n0.244451 0.088329 0.060415 O\n0.255548 0.588330 0.439586 O\n0.772808 0.919203 0.687917 O\n0.227190 0.580802 0.687917 O\n0.727192 0.919197 0.187918 O\n0.772808 0.419198 0.312084 O\n0.755554 0.911671 0.939586 O\n0.272808 0.080802 0.812083 O\n0.272812 0.580797 0.187917 O\n0.227189 0.080798 0.312084 O\n0.727190 0.419203 0.812084 O\n0.744444 0.411671 0.560415 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Ge",
"O"
],
"chemical_system": "Ge-O-V",
"density": 5.395415189747034,
"density_atomic": 0.1039303944070334,
"volume": 230.92378448989913,
"volume_molar": 5.794398062625323,
"formula_full": "V4 Ge4 O16",
"formula_reduced": "VGeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.388657358333333,
"spacegroup": 60
}
]
}