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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1296",
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"results": [
{
"id": "jvasp-115726",
"created_at": "2022-09-04T14:38:45.762596Z",
"updated_at": "2022-09-04T14:38:45.762625Z",
"structure_string": "Rb1 Sb1 Br2\n1.0\n4.627998 0.000000 0.000000\n0.000000 4.627998 -0.000000\n0.000000 0.000000 6.538430\nRb Sb Br\n1 1 2\ndirect\n0.500000 0.500000 0.502548 Rb\n0.000000 0.000000 0.002518 Sb\n0.000000 0.000000 0.502416 Br\n0.500000 0.500000 0.002519 Br\n",
"nsites": 4,
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"elements": [
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"Sb",
"Br"
],
"chemical_system": "Br-Rb-Sb",
"density": 4.352088521228967,
"density_atomic": 0.02856276110818435,
"volume": 140.04248345773,
"volume_molar": 21.08388869406054,
"formula_full": "Rb1 Sb1 Br2",
"formula_reduced": "RbSbBr2",
"formula_anonymous": "ABC2",
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{
"id": "jvasp-115724",
"created_at": "2022-09-04T14:38:44.845442Z",
"updated_at": "2022-09-04T14:38:44.845473Z",
"structure_string": "Rb1 Sb1 Br1\n1.0\n6.275261 -0.000000 -0.000000\n-3.137631 5.434536 0.000000\n0.000000 0.000000 3.136978\nRb Sb Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Rb\n0.666667 0.333334 0.000000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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],
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"volume": 106.98077423129185,
"volume_molar": 21.475109367820675,
"formula_full": "Rb1 Sb1 Br1",
"formula_reduced": "RbSbBr",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-115725",
"created_at": "2022-09-04T14:38:47.666649Z",
"updated_at": "2022-09-04T14:38:47.666680Z",
"structure_string": "Rb1 Sb1 Br1\n1.0\n3.662635 0.000000 0.000000\n0.000000 3.662635 0.000000\n0.000000 0.000000 9.285775\nRb Sb Br\n1 1 1\ndirect\n0.000000 0.000000 0.626500 Rb\n0.000000 0.000000 0.003765 Sb\n0.000000 0.000000 0.291817 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Sb",
"Br"
],
"chemical_system": "Br-Rb-Sb",
"density": 3.8275859553894294,
"density_atomic": 0.024083290045532994,
"volume": 124.5676979485801,
"volume_molar": 25.00547370651709,
"formula_full": "Rb1 Sb1 Br1",
"formula_reduced": "RbSbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1859001,
"spacegroup": 99
},
{
"id": "jvasp-21022",
"created_at": "2022-09-04T14:37:45.572364Z",
"updated_at": "2022-09-04T14:37:45.572391Z",
"structure_string": "Rb4 Sb12 Se20\n1.0\n0.000000 8.735551 0.093966\n13.020719 0.000000 0.000000\n0.000000 -7.629945 -9.745382\nRb Sb Se\n4 12 20\ndirect\n0.322328 0.750488 0.700197 Rb\n0.677672 0.250487 0.799802 Rb\n0.677672 0.249513 0.299803 Rb\n0.322328 0.749513 0.200197 Rb\n0.735319 0.899398 0.125545 Sb\n0.264681 0.399398 0.374454 Sb\n0.264681 0.100602 0.874454 Sb\n0.134755 0.437312 0.957165 Sb\n0.865245 0.937312 0.542834 Sb\n0.735319 0.600602 0.625545 Sb\n0.134755 0.062688 0.457165 Sb\n0.181220 0.460290 0.677951 Sb\n0.818780 0.960290 0.822049 Sb\n0.818780 0.539710 0.322049 Sb\n0.181220 0.039710 0.177951 Sb\n0.865244 0.562688 0.042835 Sb\n0.897476 0.127014 0.643732 Se\n0.597003 0.982293 0.283877 Se\n0.402997 0.482293 0.216123 Se\n0.370666 0.357731 0.911901 Se\n0.629334 0.857731 0.588098 Se\n0.629333 0.642269 0.088098 Se\n0.370666 0.142269 0.411901 Se\n0.102524 0.627014 0.856268 Se\n0.897476 0.372986 0.143732 Se\n0.178210 0.309278 0.536399 Se\n0.813600 0.408495 0.600243 Se\n0.186400 0.908495 0.899756 Se\n0.186399 0.591505 0.399756 Se\n0.813600 0.091505 0.100243 Se\n0.821790 0.690722 0.463601 Se\n0.178210 0.190722 0.036399 Se\n0.597003 0.517707 0.783877 Se\n0.821790 0.809278 0.963601 Se\n0.102524 0.872986 0.356268 Se\n0.402997 0.017707 0.716123 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Se"
],
"chemical_system": "Rb-Sb-Se",
"density": 5.1097085417295816,
"density_atomic": 0.032753021984509245,
"volume": 1099.1352192486677,
"volume_molar": 18.386519457191493,
"formula_full": "Rb4 Sb12 Se20",
"formula_reduced": "RbSb3Se5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.373477237037037,
"spacegroup": 14
},
{
"id": "jvasp-22636",
"created_at": "2022-09-04T14:37:11.850956Z",
"updated_at": "2022-09-04T14:37:11.850964Z",
"structure_string": "Rb2 Sb4\n1.0\n4.220502 -0.000000 -0.000000\n-2.110250 6.741338 -1.744395\n-0.000000 0.016095 8.589706\nRb Sb\n2 4\ndirect\n0.835544 0.671089 0.301438 Rb\n0.164456 0.328912 0.698562 Rb\n0.565998 0.131997 0.318119 Sb\n0.902289 0.804578 0.891572 Sb\n0.097711 0.195423 0.108428 Sb\n0.434002 0.868004 0.681881 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 4.468480378393291,
"density_atomic": 0.024538737756793955,
"volume": 244.5113542296527,
"volume_molar": 24.54136320981983,
"formula_full": "Rb2 Sb4",
"formula_reduced": "RbSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7446011666666668,
"spacegroup": 12
},
{
"id": "jvasp-36038",
"created_at": "2022-09-04T14:37:11.228481Z",
"updated_at": "2022-09-04T14:37:11.228504Z",
"structure_string": "Rb1 Sb1\n1.0\n3.725703 3.725703 0.000000\n3.725703 -0.000000 -3.725703\n-0.000000 3.725703 -3.725703\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 3.3269205045096593,
"density_atomic": 0.019336385931241963,
"volume": 103.43194468251603,
"volume_molar": 31.144086497932257,
"formula_full": "Rb1 Sb1",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.6166337000000002,
"spacegroup": 225
},
{
"id": "jvasp-10124",
"created_at": "2022-09-04T14:38:31.679891Z",
"updated_at": "2022-09-04T14:38:31.679913Z",
"structure_string": "Rb8 Sb8\n1.0\n7.252008 0.000000 0.000000\n0.000000 7.302287 0.000000\n0.000000 0.000000 12.837755\nRb Sb\n8 8\ndirect\n0.325418 0.341011 0.713703 Rb\n0.825418 0.158989 0.286297 Rb\n0.674582 0.841011 0.786297 Rb\n0.174582 0.658989 0.213703 Rb\n0.591189 0.599556 0.418366 Rb\n0.091189 0.900444 0.581634 Rb\n0.408811 0.099556 0.081634 Rb\n0.908811 0.400444 0.918365 Rb\n0.089861 0.448940 0.465810 Sb\n0.589861 0.051060 0.534190 Sb\n0.910139 0.948940 0.034190 Sb\n0.410139 0.551061 0.965810 Sb\n0.823857 0.333025 0.623309 Sb\n0.323857 0.166975 0.376691 Sb\n0.176143 0.833025 0.876691 Sb\n0.676143 0.666975 0.123309 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 4.049308314469349,
"density_atomic": 0.02353497422527274,
"volume": 679.8392828838792,
"volume_molar": 25.588049098151117,
"formula_full": "Rb8 Sb8",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.2487787000000001,
"spacegroup": 19
},
{
"id": "jvasp-10683",
"created_at": "2022-09-04T14:37:11.623275Z",
"updated_at": "2022-09-04T14:37:11.623311Z",
"structure_string": "Rb8 Sb8\n1.0\n0.000000 7.391770 0.021817\n7.200816 0.000000 0.000000\n0.000000 -5.674561 -12.640012\nRb Sb\n8 8\ndirect\n0.740423 0.829861 0.530825 Rb\n0.259577 0.329861 0.969175 Rb\n0.259577 0.170140 0.469175 Rb\n0.740423 0.670140 0.030825 Rb\n0.283044 0.596597 0.667077 Rb\n0.716955 0.096597 0.832923 Rb\n0.716955 0.403404 0.332923 Rb\n0.283044 0.903404 0.167077 Rb\n0.175457 0.829108 0.874091 Sb\n0.824543 0.329108 0.625908 Sb\n0.824543 0.170892 0.125909 Sb\n0.175457 0.670892 0.374091 Sb\n0.174262 0.096021 0.714731 Sb\n0.825738 0.596021 0.785268 Sb\n0.825738 0.903980 0.285269 Sb\n0.174262 0.403979 0.214731 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 4.097182397218412,
"density_atomic": 0.023813223055951228,
"volume": 671.8956086879384,
"volume_molar": 25.289062072154028,
"formula_full": "Rb8 Sb8",
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"spacegroup": 14
},
{
"id": "jvasp-36370",
"created_at": "2022-09-04T14:37:11.919743Z",
"updated_at": "2022-09-04T14:37:11.919775Z",
"structure_string": "Rb1 Sb1\n1.0\n4.180745 4.180745 -0.000000\n4.180745 0.000000 -4.180745\n0.000000 4.180745 -4.180745\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.749999 0.749999 0.749999 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
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"density": 2.354540044767226,
"density_atomic": 0.013684816013628504,
"volume": 146.147379548854,
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"formula_full": "Rb1 Sb1",
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"energy_above_hull": 0.7434137000000001,
"spacegroup": 216
},
{
"id": "jvasp-114810",
"created_at": "2022-09-04T14:38:43.853795Z",
"updated_at": "2022-09-04T14:38:43.853825Z",
"structure_string": "Rb1 S3 Cl1\n1.0\n3.004604 1.307726 4.426062\n-4.196673 2.422950 3.822424\n0.369778 -3.255927 4.426062\nRb S Cl\n1 3 1\ndirect\n0.234810 0.752745 0.234808 Rb\n-0.073609 0.265836 0.531839 S\n0.891332 0.033992 0.891329 S\n0.531840 0.265836 -0.073611 S\n0.540626 -0.193409 0.540625 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"S",
"Cl"
],
"chemical_system": "Cl-Rb-S",
"density": 2.3677415245998144,
"density_atomic": 0.03283702233868896,
"volume": 152.26715590801126,
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"formula_full": "Rb1 S3 Cl1",
"formula_reduced": "RbS3Cl",
"formula_anonymous": "ABC3",
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"spacegroup": 8
},
{
"id": "jvasp-79580",
"created_at": "2022-09-04T14:36:44.969859Z",
"updated_at": "2022-09-04T14:36:44.969878Z",
"structure_string": "Rb2 S2\n1.0\n4.818839 0.000000 -1.196506\n0.000000 4.851676 0.000000\n-1.132782 0.000000 5.746799\nRb S\n2 2\ndirect\n0.147542 0.250000 0.795022 Rb\n0.852459 0.750001 0.204978 Rb\n0.464351 0.250000 0.428793 S\n0.535650 0.750001 0.571206 S\n",
"nsites": 4,
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],
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"density": 3.0547208443085716,
"density_atomic": 0.03130353214300946,
"volume": 127.7811073116635,
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"formula_full": "Rb2 S2",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-10479",
"created_at": "2022-09-04T14:37:09.600708Z",
"updated_at": "2022-09-04T14:37:09.600726Z",
"structure_string": "Rb6 S6\n1.0\n4.429399 -7.671943 -0.000000\n4.429399 7.671943 0.000000\n0.000000 0.000000 6.035738\nRb S\n6 6\ndirect\n0.000000 0.304014 0.500000 Rb\n0.695986 0.695986 0.500000 Rb\n0.304014 0.000000 0.500000 Rb\n0.000000 0.639373 0.000000 Rb\n0.360627 0.360627 0.000000 Rb\n0.639373 0.000000 0.000000 Rb\n0.666667 0.333333 0.321341 S\n0.666667 0.333333 0.678659 S\n0.333333 0.666667 0.678659 S\n0.333333 0.666667 0.321341 S\n0.000000 0.000000 0.823093 S\n0.000000 0.000000 0.176907 S\n",
"nsites": 12,
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"elements": [
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],
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"volume": 410.21406416740075,
"volume_molar": 20.58639030123133,
"formula_full": "Rb6 S6",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0781275,
"spacegroup": 189
}
]
}