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=317",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=315",
"results": [
{
"id": "jvasp-92516",
"created_at": "2022-09-04T14:36:14.207850Z",
"updated_at": "2022-09-04T14:36:14.207867Z",
"structure_string": "Ce1 Al1 O3\n1.0\n3.777759 0.000000 0.000000\n0.000000 3.777759 -0.000000\n0.000000 -0.000000 3.777741\nCe Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Al",
"O"
],
"chemical_system": "Al-Ce-O",
"density": 6.6249137180543025,
"density_atomic": 0.09274047734845553,
"volume": 53.913891139608936,
"volume_molar": 6.493540827240836,
"formula_full": "Ce1 Al1 O3",
"formula_reduced": "CeAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6660577599999995,
"spacegroup": 221
},
{
"id": "jvasp-92515",
"created_at": "2022-09-04T14:36:07.717615Z",
"updated_at": "2022-09-04T14:36:07.717642Z",
"structure_string": "Ho2 Sb1 O2\n1.0\n3.827808 0.000000 0.000000\n-0.000000 3.827808 0.000000\n-1.913904 -1.913904 6.589439\nHo Sb O\n2 1 2\ndirect\n0.665277 0.665277 0.330552 Ho\n0.334725 0.334725 0.669448 Ho\n0.000000 0.000000 0.000000 Sb\n0.250001 0.750001 0.500000 O\n0.750001 0.250001 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Sb",
"O"
],
"chemical_system": "Ho-O-Sb",
"density": 8.317716499089796,
"density_atomic": 0.0517870617200617,
"volume": 96.54921198325215,
"volume_molar": 11.628658896604467,
"formula_full": "Ho2 Sb1 O2",
"formula_reduced": "Ho2SbO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3833268466666662,
"spacegroup": 139
},
{
"id": "jvasp-92513",
"created_at": "2022-09-04T14:36:00.556355Z",
"updated_at": "2022-09-04T14:36:00.556380Z",
"structure_string": "Lu1 Si2 Rh2\n1.0\n3.787095 0.000000 -1.422418\n-0.534255 3.749222 -1.422418\n-0.018072 -0.020829 5.704541\nLu Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.620277 0.620275 0.240552 Si\n0.379726 0.379724 0.759447 Si\n0.250001 0.749999 0.500000 Rh\n0.750001 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"Si",
"Rh"
],
"chemical_system": "Lu-Rh-Si",
"density": 8.982902848526592,
"density_atomic": 0.061902310573918956,
"volume": 80.77242922991358,
"volume_molar": 9.728458766993562,
"formula_full": "Lu1 Si2 Rh2",
"formula_reduced": "Lu(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6465937899999994,
"spacegroup": 139
},
{
"id": "jvasp-9251",
"created_at": "2022-09-04T14:38:11.942075Z",
"updated_at": "2022-09-04T14:38:11.942111Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.398701 -0.073667 -0.141552\n-0.039636 7.947599 -0.635557\n-0.346786 0.529798 8.927444\nZn Sn O\n4 4 8\ndirect\n0.278870 0.618788 0.948397 Zn\n0.696886 0.353007 0.071683 Zn\n0.778501 0.872545 0.137614 Zn\n0.197262 0.099253 0.882472 Zn\n-0.084962 0.370740 0.687659 Sn\n0.639571 0.834898 0.682539 Sn\n0.336196 0.136898 0.337543 Sn\n0.060718 0.601055 0.332423 Sn\n0.421309 0.405627 0.263066 O\n0.667174 0.120508 0.765241 O\n0.308587 0.851291 0.254845 O\n0.554455 0.566172 0.757014 O\n0.152314 0.344236 0.939394 O\n0.180484 0.849527 0.849931 O\n0.823442 0.627565 0.080687 O\n0.795281 0.122271 0.170150 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.935234862553389,
"density_atomic": 0.06615432842330936,
"volume": 241.85870193736906,
"volume_molar": 9.103169669360756,
"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5801147749999999,
"spacegroup": 2
},
{
"id": "jvasp-92509",
"created_at": "2022-09-04T14:35:54.086203Z",
"updated_at": "2022-09-04T14:35:54.086224Z",
"structure_string": "Al1 W1 O3\n1.0\n3.975767 0.000000 0.000000\n0.000000 3.974181 -0.100710\n0.000000 0.102566 3.974134\nAl W O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500000 0.499999 W\n0.500001 0.499999 0.000001 O\n0.500001 0.000001 0.500001 O\n0.000000 0.500000 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"W",
"O"
],
"chemical_system": "Al-O-W",
"density": 6.83992715823435,
"density_atomic": 0.07957469621922567,
"volume": 62.83404445836859,
"volume_molar": 7.567909204967873,
"formula_full": "Al1 W1 O3",
"formula_reduced": "AlWO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.2660206599999992,
"spacegroup": 221
},
{
"id": "jvasp-92508",
"created_at": "2022-09-04T14:35:50.481544Z",
"updated_at": "2022-09-04T14:35:50.481571Z",
"structure_string": "Y1 W1 O3\n1.0\n3.978116 0.000000 0.000000\n0.000000 3.976657 -0.101737\n0.000000 0.101666 3.976658\nY W O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500002 0.500001 0.499999 W\n0.500002 0.499999 0.000001 O\n0.500002 0.000002 0.500001 O\n0.000000 0.500001 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"W",
"O"
],
"chemical_system": "O-W-Y",
"density": 8.460770704838495,
"density_atomic": 0.07942774330533915,
"volume": 62.950296608312414,
"volume_molar": 7.581910941180159,
"formula_full": "Y1 W1 O3",
"formula_reduced": "YWO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.41974719,
"spacegroup": 221
},
{
"id": "jvasp-92507",
"created_at": "2022-09-04T14:35:46.333032Z",
"updated_at": "2022-09-04T14:35:46.333062Z",
"structure_string": "Ca1 Co1 O3\n1.0\n3.393348 0.756612 0.448832\n0.920504 3.352603 0.448832\n0.804447 0.766287 5.968458\nCa Co O\n1 1 3\ndirect\n0.276758 0.276759 0.067339 Ca\n0.808225 0.808222 0.554606 Co\n0.878669 0.878667 0.249798 O\n0.681833 0.681833 0.857958 O\n0.115021 0.115021 0.544602 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 3.9401434328390303,
"density_atomic": 0.08070265976996291,
"volume": 61.95582666360858,
"volume_molar": 7.462134181408241,
"formula_full": "Ca1 Co1 O3",
"formula_reduced": "CaCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.780510364,
"spacegroup": 8
},
{
"id": "jvasp-92506",
"created_at": "2022-09-04T14:35:43.705978Z",
"updated_at": "2022-09-04T14:35:43.706010Z",
"structure_string": "K2 O4\n1.0\n3.874259 0.000000 0.000000\n0.000000 3.875646 0.000000\n0.000000 0.000000 6.684520\nK O\n2 4\ndirect\n0.500000 0.500001 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500089 0.898586 O\n0.500000 0.499912 0.101414 O\n0.000000 -0.000089 0.398586 O\n0.000000 0.000089 0.601414 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.352491159958247,
"density_atomic": 0.059778948396573404,
"volume": 100.36978168628886,
"volume_molar": 10.074015889421695,
"formula_full": "K2 O4",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9394600833333332,
"spacegroup": 139
},
{
"id": "jvasp-92505",
"created_at": "2022-09-04T14:36:14.217255Z",
"updated_at": "2022-09-04T14:36:14.217275Z",
"structure_string": "Rb1 Tl1 F3\n1.0\n-0.012580 -4.698367 -0.062333\n-4.698945 0.011822 -0.032655\n0.034087 0.062923 -4.698901\nRb Tl F\n1 1 3\ndirect\n0.989919 0.997616 0.991079 Rb\n0.488281 0.499652 0.496920 Tl\n0.486470 0.999818 0.502175 F\n0.988149 0.501133 0.502427 F\n0.487187 0.501777 0.997398 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"F"
],
"chemical_system": "F-Rb-Tl",
"density": 5.5506088119799335,
"density_atomic": 0.04818639647563233,
"volume": 103.7637251527717,
"volume_molar": 12.497595173038873,
"formula_full": "Rb1 Tl1 F3",
"formula_reduced": "RbTlF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.011834,
"spacegroup": 99
},
{
"id": "jvasp-9250",
"created_at": "2022-09-04T14:38:10.883176Z",
"updated_at": "2022-09-04T14:38:10.883198Z",
"structure_string": "Ti4 Zn4 O8\n1.0\n2.901239 -0.027463 0.014376\n0.680348 7.540904 0.014090\n1.297477 1.044626 8.314497\nTi Zn O\n4 4 8\ndirect\n0.515509 0.291782 0.587518 Ti\n0.106520 0.433950 0.252404 Ti\n0.889526 0.545965 0.775800 Ti\n0.480537 0.688136 0.440684 Ti\n0.498595 0.062671 0.296644 Zn\n0.497429 0.917247 0.731557 Zn\n0.318766 0.842122 0.067031 Zn\n0.677242 0.137793 0.961171 Zn\n0.901080 0.741660 0.597835 O\n0.410770 0.361314 0.815754 O\n0.585272 0.618603 0.212449 O\n0.094966 0.238261 0.430370 O\n-0.017074 0.102710 0.713997 O\n0.686482 0.289853 0.152040 O\n0.013111 0.877208 0.314205 O\n0.309559 0.690062 0.876166 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 5.3051803476115404,
"density_atomic": 0.08796719822444955,
"volume": 181.88597935307402,
"volume_molar": 6.84589356209166,
"formula_full": "Ti4 Zn4 O8",
"formula_reduced": "TiZnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2472664333333336,
"spacegroup": 2
},
{
"id": "jvasp-925",
"created_at": "2022-09-04T14:37:51.953386Z",
"updated_at": "2022-09-04T14:37:51.953406Z",
"structure_string": "Mo1\n1.0\n2.582105 -0.000000 -0.912913\n-1.291053 2.236169 -0.912913\n0.000000 0.000000 2.738737\nMo\n1\ndirect\n0.000000 -0.000000 -0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 10.074417883355826,
"density_atomic": 0.06323698414592054,
"volume": 15.813530855495593,
"volume_molar": 9.523130872439769,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 229
},
{
"id": "jvasp-92499",
"created_at": "2022-09-04T14:36:11.205443Z",
"updated_at": "2022-09-04T14:36:11.205471Z",
"structure_string": "Al1 Fe2 B2\n1.0\n0.000000 0.000000 -2.837692\n-2.914675 0.000000 0.000000\n1.457337 5.527237 0.000000\nAl Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.645544 0.291086 Fe\n0.500000 0.354457 0.708914 Fe\n0.000000 0.793222 0.586443 B\n0.000000 0.206779 0.413557 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Fe",
"B"
],
"chemical_system": "Al-B-Fe",
"density": 5.822394596605418,
"density_atomic": 0.10937209365823548,
"volume": 45.71550047879614,
"volume_molar": 5.506103575943154,
"formula_full": "Al1 Fe2 B2",
"formula_reduced": "Al(FeB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.655031793333333,
"spacegroup": 65
}
]
}