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=updated_at&page=621",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=619",
"results": [
{
"id": "jvasp-91445",
"created_at": "2022-09-04T14:36:01.336465Z",
"updated_at": "2022-09-04T14:36:01.336491Z",
"structure_string": "Zn16 S16\n1.0\n3.841538 -0.000000 0.000000\n-1.920768 3.326870 -0.000000\n0.000000 -0.000000 50.226267\nZn S\n16 16\ndirect\n0.333333 0.666667 0.624979 Zn\n0.333333 0.666667 0.812378 Zn\n0.666667 0.333333 0.874934 Zn\n-0.000000 -0.000000 0.562495 Zn\n0.333333 0.666667 0.937521 Zn\n0.333333 0.666667 0.437506 Zn\n-0.000000 -0.000000 0.187558 Zn\n0.666667 0.333333 0.687455 Zn\n-0.000000 -0.000000 0.000053 Zn\n0.666667 0.333333 0.312518 Zn\n0.333333 0.666667 0.250034 Zn\n0.666667 0.333333 0.500002 Zn\n0.333333 0.666667 0.062651 Zn\n-0.000000 -0.000000 0.375010 Zn\n0.666667 0.333333 0.125091 Zn\n-0.000000 -0.000000 0.749923 Zn\n-0.000000 -0.000000 0.046990 S\n-0.000000 -0.000000 0.609348 S\n0.333333 0.666667 0.859211 S\n-0.000000 -0.000000 0.421867 S\n0.333333 0.666667 0.671829 S\n-0.000000 -0.000000 0.796765 S\n0.666667 0.333333 0.921867 S\n0.333333 0.666667 0.109476 S\n0.666667 0.333333 0.734301 S\n0.666667 0.333333 0.546859 S\n0.666667 0.333333 0.359373 S\n0.333333 0.666667 0.296886 S\n-0.000000 -0.000000 0.234407 S\n0.666667 0.333333 0.171936 S\n0.333333 0.666667 0.984335 S\n0.333333 0.666667 0.484363 S\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.034465473441529,
"density_atomic": 0.04985148651090783,
"volume": 641.906635883329,
"volume_molar": 12.080162862710859,
"formula_full": "Zn16 S16",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 6.499999999998174e-05,
"spacegroup": 156
},
{
"id": "jvasp-74126",
"created_at": "2022-09-04T14:36:01.336655Z",
"updated_at": "2022-09-04T14:36:01.336681Z",
"structure_string": "Be1 Mo1 W2\n1.0\n3.197555 0.000000 0.000000\n0.000000 3.197555 0.000000\n0.000000 0.000000 5.634951\nBe Mo W\n1 1 2\ndirect\n0.000000 0.000000 0.498764 Be\n0.500001 0.500001 0.724551 Mo\n0.000000 0.000000 0.000942 W\n0.500001 0.500001 0.275744 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"W"
],
"chemical_system": "Be-Mo-W",
"density": 13.622166890957788,
"density_atomic": 0.0694278634643705,
"volume": 57.613756212629944,
"volume_molar": 8.67395374061955,
"formula_full": "Be1 Mo1 W2",
"formula_reduced": "BeMoW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.929985500000001,
"spacegroup": 99
},
{
"id": "jvasp-67625",
"created_at": "2022-09-04T14:36:01.338512Z",
"updated_at": "2022-09-04T14:36:01.338529Z",
"structure_string": "Be1 Te1 Ir1\n1.0\n-1.501283 1.501283 6.350716\n1.501283 -1.501283 6.350716\n1.501283 1.501283 -6.350716\nBe Te Ir\n1 1 1\ndirect\n0.888634 0.888634 0.000000 Be\n0.658440 0.658440 0.000000 Te\n0.452926 0.452926 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Te",
"Ir"
],
"chemical_system": "Be-Ir-Te",
"density": 9.536996709524008,
"density_atomic": 0.05239784645900868,
"volume": 57.254261438910994,
"volume_molar": 11.493107383165404,
"formula_full": "Be1 Te1 Ir1",
"formula_reduced": "BeTeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2145583222222216,
"spacegroup": 107
},
{
"id": "jvasp-62906",
"created_at": "2022-09-04T14:36:01.339984Z",
"updated_at": "2022-09-04T14:36:01.340016Z",
"structure_string": "B4 N4\n1.0\n-2.512165 0.000038 -0.000655\n-0.000084 -4.377559 -0.030896\n1.254307 0.123880 6.538078\nB N\n4 4\ndirect\n-0.000009 0.998473 -0.000008 B\n0.200030 0.429675 0.400061 B\n0.865528 0.377703 0.731059 B\n0.531594 0.499204 0.063192 B\n0.980499 0.342002 0.961002 N\n0.506300 0.843179 0.012604 N\n0.646981 0.447437 0.293971 N\n0.312156 0.390725 0.624314 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.2930850865263515,
"density_atomic": 0.11128574501658621,
"volume": 71.88701480865916,
"volume_molar": 5.411421524924374,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.5820779166666665,
"spacegroup": 8
},
{
"id": "jvasp-66536",
"created_at": "2022-09-04T14:36:01.340127Z",
"updated_at": "2022-09-04T14:36:01.340165Z",
"structure_string": "Ba2 Pd1 Br1\n1.0\n-0.000000 3.996902 3.996902\n3.996902 0.000000 3.996902\n3.996902 3.996902 0.000000\nBa Pd Br\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Br"
],
"chemical_system": "Ba-Br-Pd",
"density": 5.9941664887140105,
"density_atomic": 0.03132272199227323,
"volume": 127.70282228302925,
"volume_molar": 19.226109280941667,
"formula_full": "Ba2 Pd1 Br1",
"formula_reduced": "Ba2PdBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.00602793625,
"spacegroup": 225
},
{
"id": "jvasp-86243",
"created_at": "2022-09-04T14:36:01.345717Z",
"updated_at": "2022-09-04T14:36:01.345743Z",
"structure_string": "Na1 Li5 N2\n1.0\n3.589840 0.000000 0.000000\n0.000000 3.757860 -0.555604\n0.000000 -0.783620 7.390907\nNa Li N\n1 5 2\ndirect\n0.500000 0.743322 0.878109 Na\n0.000000 0.129247 0.648978 Li\n0.500000 0.930807 0.244378 Li\n0.500000 0.574591 0.538906 Li\n0.000000 0.489142 0.361778 Li\n0.000000 0.344157 0.072211 Li\n0.500000 0.408160 0.198280 N\n0.000000 0.624575 0.639363 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.4501728577525121,
"density_atomic": 0.08151517086036233,
"volume": 98.141240649599,
"volume_molar": 7.387754569411487,
"formula_full": "Na1 Li5 N2",
"formula_reduced": "NaLi5N2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8547819375,
"spacegroup": 38
},
{
"id": "jvasp-64109",
"created_at": "2022-09-04T14:36:01.349517Z",
"updated_at": "2022-09-04T14:36:01.349546Z",
"structure_string": "Ba1 Ca1 Sc1\n1.0\n-0.000000 3.978201 3.978201\n3.978201 0.000000 3.978201\n3.978201 3.978201 -0.000000\nBa Ca Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sc"
],
"chemical_system": "Ba-Ca-Sc",
"density": 2.932360641586308,
"density_atomic": 0.023824900325313373,
"volume": 125.91867999601129,
"volume_molar": 25.276667174979206,
"formula_full": "Ba1 Ca1 Sc1",
"formula_reduced": "BaCaSc",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8593438799999998,
"spacegroup": 216
},
{
"id": "jvasp-98821",
"created_at": "2022-09-04T14:36:01.349966Z",
"updated_at": "2022-09-04T14:36:01.349977Z",
"structure_string": "Si8 Br32\n1.0\n10.945056 -0.000000 0.000000\n-0.000000 10.945056 0.000000\n-0.000000 -0.000000 10.945056\nSi Br\n8 32\ndirect\n0.370029 0.629972 0.129972 Si\n0.129972 0.129972 0.129972 Si\n0.870029 0.870029 0.870029 Si\n0.129972 0.370029 0.629972 Si\n0.629972 0.129972 0.370029 Si\n0.870029 0.629972 0.370029 Si\n0.370029 0.870029 0.629972 Si\n0.629972 0.370029 0.870029 Si\n0.246860 0.253140 0.746860 Br\n0.008242 0.252563 0.517763 Br\n0.752563 0.517763 0.491758 Br\n0.982238 0.991759 0.752563 Br\n0.008242 0.247438 0.017763 Br\n0.747438 0.017763 0.491758 Br\n0.491758 0.752563 0.517763 Br\n0.482237 0.991759 0.747438 Br\n0.753140 0.746860 0.253140 Br\n0.246860 0.246860 0.246860 Br\n0.253140 0.746860 0.246860 Br\n0.753140 0.753140 0.753140 Br\n0.991759 0.752563 0.982238 Br\n0.247438 0.017763 0.008242 Br\n0.247438 0.482237 0.508242 Br\n0.982238 0.508242 0.252563 Br\n0.252563 0.982238 0.508242 Br\n0.991759 0.747438 0.482237 Br\n0.252563 0.517763 0.008242 Br\n0.517763 0.491758 0.752563 Br\n0.482237 0.508242 0.247438 Br\n0.017763 0.491758 0.747438 Br\n0.508242 0.252563 0.982238 Br\n0.746860 0.253140 0.753140 Br\n0.746860 0.246860 0.253140 Br\n0.017763 0.008242 0.247438 Br\n0.752563 0.982238 0.991759 Br\n0.508242 0.247438 0.482237 Br\n0.747438 0.482237 0.991759 Br\n0.253140 0.753140 0.746860 Br\n0.517763 0.008242 0.252563 Br\n0.491758 0.747438 0.017763 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 3.522829989748764,
"density_atomic": 0.030507458379023182,
"volume": 1311.1547839561704,
"volume_molar": 19.739896667828614,
"formula_full": "Si8 Br32",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4367210039999999,
"spacegroup": 205
},
{
"id": "jvasp-68212",
"created_at": "2022-09-04T14:36:01.351075Z",
"updated_at": "2022-09-04T14:36:01.351100Z",
"structure_string": "Be1 Ga2 Fe1\n1.0\n-1.766728 1.766728 3.852524\n1.766728 -1.766728 3.852524\n1.766728 1.766728 -3.852524\nBe Ga Fe\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Ga\n0.250000 0.750000 0.500001 Ga\n0.750000 0.250000 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Fe"
],
"chemical_system": "Be-Fe-Ga",
"density": 7.053091207222063,
"density_atomic": 0.08316014981634098,
"volume": 48.09996144588474,
"volume_molar": 7.241618459442276,
"formula_full": "Be1 Ga2 Fe1",
"formula_reduced": "BeGa2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0992215625,
"spacegroup": 119
},
{
"id": "jvasp-98508",
"created_at": "2022-09-04T14:36:01.352156Z",
"updated_at": "2022-09-04T14:36:01.352192Z",
"structure_string": "Cu10 Si4 S14\n1.0\n6.345419 0.000000 0.000000\n-3.172709 8.175629 -0.321464\n0.000000 0.018318 9.611769\nCu Si S\n10 4 14\ndirect\n0.543466 0.758256 0.299826 Cu\n0.632207 0.607697 0.934669 Cu\n0.975490 0.607697 0.434669 Cu\n0.684139 0.039059 0.002424 Cu\n0.057751 0.464848 0.079914 Cu\n0.407098 0.464848 0.579914 Cu\n0.772000 0.898424 0.663986 Cu\n0.354920 0.039059 0.502424 Cu\n0.921984 0.187320 0.375315 Cu\n0.265337 0.187320 0.875315 Cu\n0.214790 0.758256 0.799826 Si\n0.809174 0.328704 0.726992 Si\n0.519530 0.328703 0.226992 Si\n0.126424 0.898424 0.163986 Si\n0.623585 0.544368 0.386057 S\n0.920784 0.544368 0.886057 S\n0.886703 0.112396 0.820536 S\n0.225694 0.112396 0.320536 S\n0.742896 0.823568 0.089893 S\n0.328037 0.967330 0.962140 S\n0.639293 0.967330 0.462140 S\n0.165579 0.670466 0.248218 S\n0.504887 0.670466 0.748218 S\n0.796210 0.230912 0.160918 S\n0.029936 0.407054 0.529615 S\n0.377118 0.407054 0.029615 S\n0.080672 0.823568 0.589894 S\n0.434702 0.230912 0.660918 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Si",
"S"
],
"chemical_system": "Cu-S-Si",
"density": 3.984936411674361,
"density_atomic": 0.0561488264489094,
"volume": 498.6747145192356,
"volume_molar": 10.725319015313042,
"formula_full": "Cu10 Si4 S14",
"formula_reduced": "Cu5Si2S7",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 1.5009749607142857,
"spacegroup": 1
},
{
"id": "jvasp-98268",
"created_at": "2022-09-04T14:36:01.353049Z",
"updated_at": "2022-09-04T14:36:01.353075Z",
"structure_string": "Sc6 Rh2 C8\n1.0\n5.105895 -0.011405 2.333267\n1.404256 5.397149 0.641710\n-0.003706 -0.005703 6.761367\nSc Rh C\n6 2 8\ndirect\n0.759561 0.759865 -0.000000 Sc\n0.188251 0.000000 0.623497 Sc\n0.689477 0.500000 0.621047 Sc\n0.240441 0.240134 -0.000000 Sc\n0.310524 0.500000 0.378954 Sc\n0.811749 -0.000001 0.376504 Sc\n0.269705 0.730148 -0.000000 Rh\n0.730297 0.269851 -0.000000 Rh\n0.949001 0.582067 0.258183 C\n0.711252 0.078054 0.740796 C\n0.792818 0.417932 0.258183 C\n0.051000 0.417933 0.741818 C\n0.288749 0.921946 0.259204 C\n0.547954 0.921946 0.740796 C\n0.452047 0.078054 0.259205 C\n0.207183 0.582068 0.741818 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"Rh",
"C"
],
"chemical_system": "C-Rh-Sc",
"density": 5.090187673096082,
"density_atomic": 0.0858001590163955,
"volume": 186.4798408700218,
"volume_molar": 7.018799066385451,
"formula_full": "Sc6 Rh2 C8",
"formula_reduced": "Sc3RhC4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.99569484375,
"spacegroup": 12
},
{
"id": "jvasp-71183",
"created_at": "2022-09-04T14:36:01.355480Z",
"updated_at": "2022-09-04T14:36:01.355510Z",
"structure_string": "K1 Be1 Co4\n1.0\n-0.000000 3.480858 3.480858\n3.480858 0.000000 3.480858\n3.480858 3.480858 -0.000000\nK Be Co\n1 1 4\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Be\n0.120448 0.626518 0.626518 Co\n0.626518 0.626518 0.626518 Co\n0.626518 0.120448 0.626518 Co\n0.626518 0.626518 0.120448 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Be",
"Co"
],
"chemical_system": "Be-Co-K",
"density": 5.587773202733982,
"density_atomic": 0.07113156014980317,
"volume": 84.35074371156757,
"volume_molar": 8.46620086402908,
"formula_full": "K1 Be1 Co4",
"formula_reduced": "KBeCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.723361283333333,
"spacegroup": 216
}
]
}