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=density&page=1565",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1563",
"results": [
{
"id": "jvasp-99484",
"created_at": "2022-09-04T14:36:18.635487Z",
"updated_at": "2022-09-04T14:36:18.635514Z",
"structure_string": "Rb1 Zr1 Cu3 Se4\n1.0\n6.305564 -0.000000 0.000000\n0.000000 6.305564 0.000000\n0.000000 -0.000000 6.305564\nRb Zr Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Zr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.227100 0.227100 0.227100 Se\n0.772899 0.772899 0.227100 Se\n0.227100 0.772899 0.772899 Se\n0.772899 0.227100 0.772899 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Zr",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se-Zr",
"density": 4.524868299401944,
"density_atomic": 0.03589803654375446,
"volume": 250.71009076026527,
"volume_molar": 16.77568285011881,
"formula_full": "Rb1 Zr1 Cu3 Se4",
"formula_reduced": "RbZrCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.9406788129629632,
"spacegroup": 215
},
{
"id": "jvasp-108821",
"created_at": "2022-09-04T14:38:20.098380Z",
"updated_at": "2022-09-04T14:38:20.098402Z",
"structure_string": "Li2 V2 O4\n1.0\n4.080085 0.171123 -0.000156\n-1.857919 4.022820 -1.971674\n0.000147 0.000402 3.942557\nLi V O\n2 2 4\ndirect\n0.399117 0.265687 0.877825 Li\n0.599634 0.736091 0.613004 Li\n0.099497 0.774282 0.132097 V\n0.899259 0.227453 0.358697 V\n0.889860 0.256300 0.873124 O\n0.108892 0.745445 0.617677 O\n0.392090 0.243948 0.366948 O\n0.606669 0.757797 0.123855 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.524991036060303,
"density_atomic": 0.12127164589880407,
"volume": 65.96760471673365,
"volume_molar": 4.9658275150526245,
"formula_full": "Li2 V2 O4",
"formula_reduced": "LiVO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8532153,
"spacegroup": 12
},
{
"id": "jvasp-117119",
"created_at": "2022-09-04T14:38:50.654210Z",
"updated_at": "2022-09-04T14:38:50.654228Z",
"structure_string": "Sr12 Hg4\n1.0\n7.378806 -0.000000 0.000000\n0.000000 8.472345 0.000000\n-0.000000 -0.000000 10.881500\nSr Hg\n12 4\ndirect\n0.337666 0.679260 0.062078 Sr\n0.162334 0.179260 0.437922 Sr\n0.662334 0.320740 0.562078 Sr\n0.837666 0.820741 0.937922 Sr\n0.662334 0.320740 0.937922 Sr\n0.837666 0.820741 0.562078 Sr\n0.337666 0.679260 0.437922 Sr\n0.162334 0.179260 0.062078 Sr\n0.863037 0.530972 0.250000 Sr\n0.636963 0.030972 0.250000 Sr\n0.136963 0.469028 0.750000 Sr\n0.363037 0.969028 0.750000 Sr\n0.052909 0.881363 0.250000 Hg\n0.447091 0.381362 0.250000 Hg\n0.947092 0.118638 0.750000 Hg\n0.552909 0.618638 0.750000 Hg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 4.525155257815449,
"density_atomic": 0.02352022607214252,
"volume": 680.2655701915419,
"volume_molar": 25.604093861719534,
"formula_full": "Sr12 Hg4",
"formula_reduced": "Sr3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-34560",
"created_at": "2022-09-04T14:37:01.233985Z",
"updated_at": "2022-09-04T14:37:01.234010Z",
"structure_string": "Zn4 Si2 O8\n1.0\n5.705440 -0.008154 -1.779644\n-3.089279 4.796714 -1.779644\n0.004455 0.008154 5.976551\nZn Si O\n4 2 8\ndirect\n0.375000 0.278969 0.403970 Zn\n0.875000 0.971030 0.596032 Zn\n0.721031 0.125000 0.096032 Zn\n0.028969 0.624999 0.903969 Zn\n0.500000 0.500000 0.000001 Si\n0.250000 0.749999 0.500000 Si\n0.091385 0.800761 0.676283 O\n0.584898 0.908614 0.709378 O\n0.658615 0.834897 0.209378 O\n0.550762 0.341385 0.176283 O\n0.165103 0.374478 0.823717 O\n0.199238 0.875520 0.290623 O\n0.124479 0.415102 0.323718 O\n0.625521 0.449238 0.790624 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.525509039867051,
"density_atomic": 0.08558628342661828,
"volume": 163.57761360210958,
"volume_molar": 7.036338673548532,
"formula_full": "Zn4 Si2 O8",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.257081914285714,
"spacegroup": 122
},
{
"id": "jvasp-114667",
"created_at": "2022-09-04T14:38:42.219107Z",
"updated_at": "2022-09-04T14:38:42.219122Z",
"structure_string": "H1 C1 I1\n1.0\n4.038766 0.000000 0.000000\n-2.019383 3.497674 -0.000000\n0.000000 0.000000 3.634443\nH C I\n1 1 1\ndirect\n0.333334 0.666667 0.000000 H\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"I"
],
"chemical_system": "C-H-I",
"density": 4.525563516015123,
"density_atomic": 0.05843262171884653,
"volume": 51.341184286317876,
"volume_molar": 10.306127951910215,
"formula_full": "H1 C1 I1",
"formula_reduced": "HCI",
"formula_anonymous": "ABC",
"energy_above_hull": 3.199865425,
"spacegroup": 187
},
{
"id": "jvasp-40657",
"created_at": "2022-09-04T14:37:57.820130Z",
"updated_at": "2022-09-04T14:37:57.820159Z",
"structure_string": "Li4 Mn2 Nb3 Cr3 O16\n1.0\n5.953223 -0.030623 0.043563\n-3.003128 5.201626 -0.000072\n0.074191 0.042702 9.844913\nLi Mn Nb Cr O\n4 2 3 3 16\ndirect\n0.315249 0.657646 0.901668 Li\n0.038764 0.019386 0.000722 Li\n0.021885 0.010945 0.492056 Li\n0.671912 0.335966 0.385987 Li\n0.316726 0.658373 0.485479 Mn\n0.670830 0.335415 0.006383 Mn\n0.664896 0.832455 0.213347 Nb\n0.812503 0.654305 0.714788 Nb\n0.812503 0.158229 0.714783 Nb\n0.326511 0.163268 0.713011 Cr\n0.179782 0.837350 0.215625 Cr\n0.179785 0.342448 0.215626 Cr\n0.333351 0.166676 0.108438 O\n0.855962 0.691063 0.101625 O\n0.650056 0.325039 0.596010 O\n0.496621 0.021038 0.832304 O\n0.496612 0.475627 0.832299 O\n0.667233 0.833627 0.593681 O\n0.492134 0.518073 0.334610 O\n0.044046 0.522038 0.329900 O\n0.150485 0.313564 0.603604 O\n-0.004011 -0.001984 0.820947 O\n0.013519 0.006775 0.312679 O\n0.339898 0.669950 0.102031 O\n0.954170 0.477105 0.840390 O\n0.150487 0.836940 0.603604 O\n0.492129 0.974083 0.334612 O\n0.855958 0.164907 0.101628 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-Nb-O",
"density": 4.525610387201982,
"density_atomic": 0.0921252221312466,
"volume": 303.93413825488176,
"volume_molar": 6.5369077226435675,
"formula_full": "Li4 Mn2 Nb3 Cr3 O16",
"formula_reduced": "Li4Mn2Nb3Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.616238245812808,
"spacegroup": 8
},
{
"id": "jvasp-49831",
"created_at": "2022-09-04T14:37:08.773748Z",
"updated_at": "2022-09-04T14:37:08.773772Z",
"structure_string": "Ba2 Mg2 Ge2\n1.0\n4.669748 0.000000 -0.000000\n0.000000 4.669748 0.000000\n-0.000000 0.000000 7.883747\nBa Mg Ge\n2 2 2\ndirect\n0.000000 0.500000 0.340920 Ba\n0.500000 0.000000 0.659081 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.792742 Ge\n0.500000 0.000000 0.207259 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ge"
],
"chemical_system": "Ba-Ge-Mg",
"density": 4.525639017817176,
"density_atomic": 0.03490050266825946,
"volume": 171.9172946313105,
"volume_molar": 17.25516912246907,
"formula_full": "Ba2 Mg2 Ge2",
"formula_reduced": "BaMgGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-115055",
"created_at": "2022-09-04T14:38:42.645391Z",
"updated_at": "2022-09-04T14:38:42.645417Z",
"structure_string": "Zn1 Ge1 S2\n1.0\n3.714928 0.000000 -0.000000\n0.000000 3.714928 0.000000\n-0.000000 0.000000 5.374603\nZn Ge S\n1 1 2\ndirect\n0.500001 0.500001 0.530220 Zn\n0.000000 0.000000 0.016734 Ge\n0.000000 0.000000 0.475404 S\n0.500001 0.500001 0.987640 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"S"
],
"chemical_system": "Ge-S-Zn",
"density": 4.526243867334324,
"density_atomic": 0.0539278118748114,
"volume": 74.17323011891605,
"volume_molar": 11.1670408099996,
"formula_full": "Zn1 Ge1 S2",
"formula_reduced": "ZnGeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6406265875000001,
"spacegroup": 99
},
{
"id": "jvasp-115061",
"created_at": "2022-09-04T14:38:41.594883Z",
"updated_at": "2022-09-04T14:38:41.594907Z",
"structure_string": "Al1 Cu1 O1\n1.0\n3.962027 0.000000 0.000000\n-1.981014 3.431216 -0.000000\n0.000000 -0.000000 2.874759\nAl Cu O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.000000 Cu\n0.666668 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.5262820427599335,
"density_atomic": 0.07676342138977159,
"volume": 39.08111370866721,
"volume_molar": 7.8450655937053195,
"formula_full": "Al1 Cu1 O1",
"formula_reduced": "AlCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0281955833333334,
"spacegroup": 187
},
{
"id": "jvasp-108978",
"created_at": "2022-09-04T14:38:18.232252Z",
"updated_at": "2022-09-04T14:38:18.232282Z",
"structure_string": "K2 Li1 Tl1 F6\n1.0\n5.142201 -0.000000 2.968851\n1.714067 4.848113 2.968851\n-0.000000 -0.000000 5.937702\nK Li Tl F\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.740497 0.259503 0.259503 F\n0.259504 0.259503 0.740496 F\n0.259504 0.740496 0.740496 F\n0.259504 0.740496 0.259503 F\n0.740497 0.259503 0.740496 F\n0.740497 0.740496 0.259503 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Tl",
"F"
],
"chemical_system": "F-K-Li-Tl",
"density": 4.526522042535084,
"density_atomic": 0.0675553611652172,
"volume": 148.0267417347298,
"volume_molar": 8.914378749707094,
"formula_full": "K2 Li1 Tl1 F6",
"formula_reduced": "K2LiTlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64940",
"created_at": "2022-09-04T14:35:53.629455Z",
"updated_at": "2022-09-04T14:35:53.629478Z",
"structure_string": "Y1 Be2 Se1\n1.0\n-1.953010 1.953010 4.469509\n1.953010 -1.953010 4.469509\n1.953010 1.953010 -4.469509\nY Be Se\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Se"
],
"chemical_system": "Be-Se-Y",
"density": 4.5266496578042865,
"density_atomic": 0.05865854007769071,
"volume": 68.19126413139796,
"volume_molar": 10.266434780040441,
"formula_full": "Y1 Be2 Se1",
"formula_reduced": "YBe2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9735077541666664,
"spacegroup": 119
},
{
"id": "jvasp-16926",
"created_at": "2022-09-04T14:37:01.536034Z",
"updated_at": "2022-09-04T14:37:01.536046Z",
"structure_string": "Al1 Co1 O3\n1.0\n3.662535 -0.000000 -0.000000\n0.000000 3.662535 -0.000000\n-0.000000 -0.000000 3.662087\nAl Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500000 Co\n0.500001 0.000000 0.500000 O\n0.000000 0.500001 0.500000 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-O",
"density": 4.52667585545331,
"density_atomic": 0.1017835934626027,
"volume": 49.12383056938443,
"volume_molar": 5.91661244718448,
"formula_full": "Al1 Co1 O3",
"formula_reduced": "AlCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4077488400000004,
"spacegroup": 221
}
]
}