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=-volume_molar&page=997",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=995",
"results": [
{
"id": "jvasp-20653",
"created_at": "2022-09-04T14:38:08.730834Z",
"updated_at": "2022-09-04T14:38:08.730866Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 -0.000000\n-0.000000 -0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.794724182724776,
"density_atomic": 0.03955049165820381,
"volume": 75.85240724504928,
"volume_molar": 15.226462447151018,
"formula_full": "Te2 Ir1",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8259888777777773,
"spacegroup": 164
},
{
"id": "jvasp-602",
"created_at": "2022-09-04T14:37:38.167805Z",
"updated_at": "2022-09-04T14:37:38.167831Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 0.000000\n0.000000 0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.794724182724776,
"density_atomic": 0.03955049165820381,
"volume": 75.85240724504928,
"volume_molar": 15.226462447151018,
"formula_full": "Te2 Ir1",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8259888777777773,
"spacegroup": 164
},
{
"id": "jvasp-28965",
"created_at": "2022-09-04T14:36:00.092908Z",
"updated_at": "2022-09-04T14:36:00.092925Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.223700 0.000001 0.000070\n-1.611850 2.791821 -0.000082\n0.000739 -0.000577 33.711179\nMo W Se S\n1 3 2 6\ndirect\n0.666680 0.333469 0.281489 Mo\n0.333404 0.666598 0.089748 W\n0.333206 0.666426 0.473270 W\n0.666713 0.333511 0.658410 W\n0.333332 0.666822 0.332230 Se\n0.333353 0.666770 0.230747 Se\n0.333371 0.666870 0.704794 S\n0.666744 0.333233 0.043367 S\n0.666548 0.333069 0.426841 S\n0.666726 0.333288 0.136179 S\n0.666527 0.333110 0.519681 S\n0.333392 0.666826 0.611993 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.460888777900931,
"density_atomic": 0.039551689355168305,
"volume": 303.40044118575514,
"volume_molar": 15.226001362222656,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.397809386111111,
"spacegroup": 156
},
{
"id": "jvasp-16691",
"created_at": "2022-09-04T14:38:30.839540Z",
"updated_at": "2022-09-04T14:38:30.839568Z",
"structure_string": "Y3 Mg3 Tl3\n1.0\n3.771101 -6.531737 -0.000000\n3.771101 6.531737 -0.000000\n0.000000 -0.000000 4.619017\nY Mg Tl\n3 3 3\ndirect\n0.572239 0.572239 0.000000 Y\n-0.000000 0.427761 0.000000 Y\n0.427761 -0.000000 0.000000 Y\n0.755949 -0.000000 0.500000 Mg\n0.244051 0.244051 0.500000 Mg\n-0.000000 0.755949 0.500000 Mg\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666667 0.500000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Y",
"density": 6.952907256166485,
"density_atomic": 0.03955178601589148,
"volume": 227.5497747784107,
"volume_molar": 15.225964151354301,
"formula_full": "Y3 Mg3 Tl3",
"formula_reduced": "YMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2936723666666666,
"spacegroup": 189
},
{
"id": "jvasp-108642",
"created_at": "2022-09-04T14:38:27.924793Z",
"updated_at": "2022-09-04T14:38:27.924821Z",
"structure_string": "La1 Ce1 Zn2\n1.0\n4.528934 -0.000000 2.614782\n1.509645 4.269920 2.614782\n-0.000000 -0.000000 5.229563\nLa Ce Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.500000 0.500000 Ce\n0.249999 0.250000 0.250000 Zn\n0.749998 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ce",
"Zn"
],
"chemical_system": "Ce-La-Zn",
"density": 6.729483759863532,
"density_atomic": 0.03955294833661298,
"volume": 101.13026128819125,
"volume_molar": 15.225516714326666,
"formula_full": "La1 Ce1 Zn2",
"formula_reduced": "LaCeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1472453250000001,
"spacegroup": 225
},
{
"id": "jvasp-109284",
"created_at": "2022-09-04T14:37:56.328378Z",
"updated_at": "2022-09-04T14:37:56.328399Z",
"structure_string": "La1 Pm1 Zn2\n1.0\n4.528925 -0.000000 2.614776\n1.509642 4.269911 2.614776\n-0.000000 -0.000000 5.229552\nLa Pm Zn\n1 1 2\ndirect\n0.499999 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Pm\n0.749999 0.750000 0.750002 Zn\n0.250000 0.250000 0.250001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Zn"
],
"chemical_system": "La-Pm-Zn",
"density": 6.809720291888803,
"density_atomic": 0.039553193503280175,
"volume": 101.12963444198955,
"volume_molar": 15.225422340425128,
"formula_full": "La1 Pm1 Zn2",
"formula_reduced": "LaPmZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-79793",
"created_at": "2022-09-04T14:36:47.540108Z",
"updated_at": "2022-09-04T14:36:47.540129Z",
"structure_string": "Zn2 Te2\n1.0\n4.319988 -0.160888 -0.000000\n-0.609441 4.279808 -0.000000\n-0.000000 -0.000000 5.498751\nZn Te\n2 2\ndirect\n0.639284 0.360716 0.750000 Zn\n0.360717 0.639284 0.250000 Zn\n0.228455 0.771546 0.750000 Te\n0.771546 0.228454 0.250000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.338625716018092,
"density_atomic": 0.03955473195551316,
"volume": 101.1257010791721,
"volume_molar": 15.224830158811459,
"formula_full": "Zn2 Te2",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.12033,
"spacegroup": 63
},
{
"id": "jvasp-18856",
"created_at": "2022-09-04T14:36:59.227518Z",
"updated_at": "2022-09-04T14:36:59.227540Z",
"structure_string": "Y2 Zr2 Sb2\n1.0\n4.139038 0.000000 -1.042773\n-0.262713 4.130693 -1.042773\n0.030222 0.032205 8.855803\nY Zr Sb\n2 2 2\ndirect\n0.323175 0.323174 0.646350 Y\n0.676826 0.676824 0.353651 Y\n0.500000 -0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.133786 0.133786 0.267571 Sb\n0.866214 0.866212 0.732429 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Zr",
"Sb"
],
"chemical_system": "Sb-Y-Zr",
"density": 6.60968334371175,
"density_atomic": 0.03955526509614204,
"volume": 151.68650710383434,
"volume_molar": 15.224624952867174,
"formula_full": "Y2 Zr2 Sb2",
"formula_reduced": "YZrSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.333392016666667,
"spacegroup": 139
},
{
"id": "jvasp-102664",
"created_at": "2022-09-04T14:36:49.970252Z",
"updated_at": "2022-09-04T14:36:49.970270Z",
"structure_string": "Ti4 Te6\n1.0\n6.042677 0.000220 4.357458\n2.230139 5.616086 4.357458\n0.000323 0.000220 7.449925\nTi Te\n4 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.160141 0.160141 0.160141 Ti\n0.839858 0.839859 0.839858 Ti\n0.000000 0.000000 0.000000 Ti\n0.923090 0.574517 0.264276 Te\n0.264276 0.923090 0.574516 Te\n0.574516 0.264277 0.923089 Te\n0.425483 0.735724 0.076911 Te\n0.735724 0.076911 0.425483 Te\n0.076910 0.425484 0.735723 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.2864142772261555,
"density_atomic": 0.03955588491749006,
"volume": 252.8068837509028,
"volume_molar": 15.224386390448936,
"formula_full": "Ti4 Te6",
"formula_reduced": "Ti2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.062955993333333,
"spacegroup": 148
},
{
"id": "jvasp-8525",
"created_at": "2022-09-04T14:37:01.255563Z",
"updated_at": "2022-09-04T14:37:01.255588Z",
"structure_string": "Sr2 Al4\n1.0\n4.415863 0.000000 1.899773\n2.187895 5.617152 0.996460\n-0.012028 0.001272 6.109998\nSr Al\n2 4\ndirect\n0.450423 0.299576 0.799577 Sr\n0.549575 0.700423 0.200424 Sr\n0.161016 0.272586 0.405382 Al\n0.838982 0.727414 0.594619 Al\n0.838983 0.094618 0.227414 Al\n0.161015 0.905381 0.772587 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Al"
],
"chemical_system": "Al-Sr",
"density": 3.0999225186182695,
"density_atomic": 0.039555934496946214,
"volume": 151.68394012946933,
"volume_molar": 15.224367308184616,
"formula_full": "Sr2 Al4",
"formula_reduced": "SrAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7079739700000001,
"spacegroup": 74
},
{
"id": "jvasp-101682",
"created_at": "2022-09-04T14:36:40.999687Z",
"updated_at": "2022-09-04T14:36:40.999696Z",
"structure_string": "Tl2 Fe1 Cu3 Te4\n1.0\n8.108590 -0.040981 0.000000\n-6.020346 5.431974 0.000000\n-0.000000 -0.000000 5.771965\nTl Fe Cu Te\n2 1 3 4\ndirect\n0.500000 0.000000 0.249527 Tl\n-0.000001 0.500000 0.750472 Tl\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.356813 0.134941 0.754351 Te\n0.865058 0.643186 0.245648 Te\n0.134941 0.356813 0.245648 Te\n0.643186 0.865058 0.754351 Te\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Fe",
"Cu",
"Te"
],
"chemical_system": "Cu-Fe-Te-Tl",
"density": 7.656493603696291,
"density_atomic": 0.03955604001874391,
"volume": 252.80589248219562,
"volume_molar": 15.224326694852078,
"formula_full": "Tl2 Fe1 Cu3 Te4",
"formula_reduced": "Tl2FeCu3Te4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.5306853116666668,
"spacegroup": 21
},
{
"id": "jvasp-69084",
"created_at": "2022-09-04T14:35:49.606307Z",
"updated_at": "2022-09-04T14:35:49.606334Z",
"structure_string": "Ba1 Sc4 Co1\n1.0\n0.000000 4.232843 4.232843\n4.232843 -0.000000 4.232843\n4.232843 4.232843 0.000000\nBa Sc Co\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117110 0.627630 0.627630 Sc\n0.627630 0.627630 0.627630 Sc\n0.627630 0.117110 0.627630 Sc\n0.627630 0.627630 0.117110 Sc\n0.000000 0.000000 0.000000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Co"
],
"chemical_system": "Ba-Co-Sc",
"density": 4.117250553856091,
"density_atomic": 0.03955712990532994,
"volume": 151.67935627178954,
"volume_molar": 15.22390723091509,
"formula_full": "Ba1 Sc4 Co1",
"formula_reduced": "BaSc4Co",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6087546449999994,
"spacegroup": 216
}
]
}