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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3587",
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"results": [
{
"id": "jvasp-29426",
"created_at": "2022-09-04T14:37:57.715293Z",
"updated_at": "2022-09-04T14:37:57.715311Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.844796 0.000082 0.663944\n1.228525 9.128025 4.350558\n0.030287 -0.002237 11.286913\nIn Sb S Cl\n2 4 8 2\ndirect\n0.837972 0.887582 0.436492 In\n0.162029 0.112418 0.563508 In\n0.549383 0.676744 0.224556 Sb\n0.203074 0.692592 0.901063 Sb\n0.450617 0.323256 0.775444 Sb\n0.796926 0.307408 0.098937 Sb\n0.285938 0.081073 0.347019 S\n0.180956 0.501973 0.136125 S\n0.963866 0.854917 0.217366 S\n0.598268 0.824556 0.978813 S\n0.036135 0.145083 0.782634 S\n0.714063 0.918927 0.652980 S\n0.819045 0.498027 0.863874 S\n0.401733 0.175444 0.021186 S\n0.603676 0.321580 0.470957 Cl\n0.396324 0.678420 0.529043 Cl\n",
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"elements": [
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"formula_full": "In2 Sb4 S8 Cl2",
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},
{
"id": "jvasp-25902",
"created_at": "2022-09-04T14:38:29.997345Z",
"updated_at": "2022-09-04T14:38:29.997355Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.901599 -0.000009 -0.000614\n-1.950501 9.997008 -0.068739\n-1.948711 -4.462781 10.183090\nIn Sb S Cl\n2 4 8 2\ndirect\n0.274438 0.112430 0.436508 In\n0.725563 0.887570 0.563492 In\n0.773853 0.323232 0.224555 Sb\n0.104327 0.307402 0.901080 Sb\n0.226148 0.676769 0.775445 Sb\n0.895674 0.692598 0.098920 Sb\n0.632993 0.918937 0.347019 S\n0.317078 0.498044 0.136129 S\n0.181209 0.145077 0.217362 S\n0.577171 0.175423 0.978827 S\n0.818792 0.854923 0.782638 S\n0.367008 0.081063 0.652981 S\n0.682923 0.501956 0.863872 S\n0.422830 0.824577 0.021173 S\n0.074767 0.678397 0.470996 Cl\n0.925234 0.321603 0.529005 Cl\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.37854317183468,
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"volume": 395.9700960967606,
"volume_molar": 14.903672846533867,
"formula_full": "In2 Sb4 S8 Cl2",
"formula_reduced": "InSb2S4Cl",
"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-104770",
"created_at": "2022-09-04T14:37:01.737378Z",
"updated_at": "2022-09-04T14:37:01.737397Z",
"structure_string": "Y2 Se4\n1.0\n5.200926 0.066622 -5.515060\n-0.315327 3.888962 -6.499731\n-0.123779 -0.066622 7.579591\nY Se\n2 4\ndirect\n0.859060 0.859059 -0.000001 Y\n0.140940 0.140940 -0.000000 Y\n0.711372 0.211371 0.500000 Se\n0.288628 0.788628 0.499999 Se\n0.753064 0.500000 0.253064 Se\n0.246936 0.500000 0.746936 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Se"
],
"chemical_system": "Se-Y",
"density": 5.520187422988684,
"density_atomic": 0.040405021225662995,
"volume": 148.4963952002366,
"volume_molar": 14.904436570806888,
"formula_full": "Y2 Se4",
"formula_reduced": "YSe2",
"formula_anonymous": "AB2",
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"spacegroup": 71
},
{
"id": "jvasp-117976",
"created_at": "2022-09-04T14:38:49.221839Z",
"updated_at": "2022-09-04T14:38:49.221865Z",
"structure_string": "Ca1 Ga1 N1\n1.0\n4.497589 -0.000000 -0.000000\n-2.248795 3.895027 0.000000\n-0.000000 -0.000000 4.238384\nCa Ga N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333335 0.666667 0.000000 Ga\n0.666668 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ga",
"N"
],
"chemical_system": "Ca-Ga-N",
"density": 2.7688932531958614,
"density_atomic": 0.04040459097274775,
"volume": 74.24898824055543,
"volume_molar": 14.904595282406985,
"formula_full": "Ca1 Ga1 N1",
"formula_reduced": "CaGaN",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-18660",
"created_at": "2022-09-04T14:36:02.148192Z",
"updated_at": "2022-09-04T14:36:02.148220Z",
"structure_string": "Ce1 Hg2\n1.0\n2.535585 -4.391764 -0.000000\n2.535585 4.391764 -0.000000\n-0.000000 -0.000000 3.333850\nCe Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
"nsites": 3,
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"elements": [
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],
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"density": 12.105721977152507,
"density_atomic": 0.0404043416761059,
"volume": 74.24944636021935,
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"formula_full": "Ce1 Hg2",
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"spacegroup": 191
},
{
"id": "jvasp-105196",
"created_at": "2022-09-04T14:36:46.760757Z",
"updated_at": "2022-09-04T14:36:46.760790Z",
"structure_string": "Li1 Pm1 In2\n1.0\n4.496907 -0.000000 2.596290\n1.498969 4.239725 2.596290\n-0.000000 -0.000000 5.192581\nLi Pm In\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Pm\n0.750001 0.749999 0.750000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pm",
"In"
],
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"density": 6.4002422547192825,
"density_atomic": 0.04040407023414828,
"volume": 98.99992690883215,
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"formula_full": "Li1 Pm1 In2",
"formula_reduced": "LiPmIn2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-118728",
"created_at": "2022-09-04T14:38:47.341289Z",
"updated_at": "2022-09-04T14:38:47.341300Z",
"structure_string": "Mg1 Se3\n1.0\n7.478525 -0.593362 -0.763593\n0.654834 -3.715895 0.074036\n3.017493 -1.475076 -3.873639\nMg Se\n1 3\ndirect\n0.689102 0.419692 0.683258 Mg\n0.081682 0.110857 -0.083279 Se\n0.039535 0.859777 0.458201 Se\n0.565587 0.117532 0.410986 Se\n",
"nsites": 4,
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"elements": [
"Mg",
"Se"
],
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"density": 4.380850258196261,
"density_atomic": 0.04040369379934884,
"volume": 99.00084927543098,
"volume_molar": 14.904926242404734,
"formula_full": "Mg1 Se3",
"formula_reduced": "MgSe3",
"formula_anonymous": "AB3",
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"spacegroup": 8
},
{
"id": "jvasp-85634",
"created_at": "2022-09-04T14:36:10.572448Z",
"updated_at": "2022-09-04T14:36:10.572483Z",
"structure_string": "Eu1 Sb12 Os4\n1.0\n7.708781 -0.000026 -2.725475\n-3.854366 6.675803 -2.725385\n-0.000093 -0.000054 8.176162\nEu Sb Os\n1 12 4\ndirect\n-0.000000 0.000001 -0.000000 Eu\n0.662219 0.844137 0.506347 Sb\n0.155862 0.493630 0.337775 Sb\n0.662212 0.155853 0.818063 Sb\n0.844144 0.181930 0.337776 Sb\n0.337787 0.844147 0.181936 Sb\n0.506361 0.662215 0.844152 Sb\n0.337780 0.155863 0.493652 Sb\n0.155855 0.818070 0.662223 Sb\n0.818086 0.662216 0.155864 Sb\n0.181913 0.337783 0.844135 Sb\n0.493639 0.337784 0.155847 Sb\n0.844137 0.506369 0.662224 Sb\n-0.000000 0.500000 -0.000001 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 -0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Eu",
"Sb",
"Os"
],
"chemical_system": "Eu-Os-Sb",
"density": 9.369063543843545,
"density_atomic": 0.040403088241993,
"volume": 420.7599156326627,
"volume_molar": 14.905149635915407,
"formula_full": "Eu1 Sb12 Os4",
"formula_reduced": "Eu(Sb3Os)4",
"formula_anonymous": "AB4C12",
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"spacegroup": 204
},
{
"id": "jvasp-38332",
"created_at": "2022-09-04T14:35:48.952548Z",
"updated_at": "2022-09-04T14:35:48.952581Z",
"structure_string": "Rb1 Ba1 O3\n1.0\n4.983366 -0.000000 -0.000000\n-0.000000 4.983366 -0.000000\n-0.000000 0.000000 4.983366\nRb Ba O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Ba",
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],
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"density": 3.6334415369788706,
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"volume": 123.75659574687928,
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"formula_full": "Rb1 Ba1 O3",
"formula_reduced": "RbBaO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-78646",
"created_at": "2022-09-04T14:36:39.154088Z",
"updated_at": "2022-09-04T14:36:39.154107Z",
"structure_string": "Cd1 Ag1 Sb1\n1.0\n4.085885 0.000000 2.358987\n1.361961 3.852210 2.358987\n0.000000 0.000000 4.717975\nCd Ag Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Cd\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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],
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"volume": 74.2594500373239,
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},
{
"id": "jvasp-117980",
"created_at": "2022-09-04T14:38:49.278779Z",
"updated_at": "2022-09-04T14:38:49.278802Z",
"structure_string": "Ca1 N1 O1\n1.0\n4.215039 1.031644 0.000000\n0.677871 4.296342 0.000000\n0.000000 0.000000 4.265390\nCa N O\n1 1 1\ndirect\n-0.110870 -0.135450 0.000000 Ca\n0.327894 0.049609 0.000000 N\n0.025187 0.314308 0.000000 O\n",
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"elements": [
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"density_atomic": 0.04039852834786674,
"volume": 74.2601308188103,
"volume_molar": 14.906832021562987,
"formula_full": "Ca1 N1 O1",
"formula_reduced": "CaNO",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-90067",
"created_at": "2022-09-04T14:36:10.615775Z",
"updated_at": "2022-09-04T14:36:10.615797Z",
"structure_string": "Sn1 N2 Cl6\n1.0\n-4.811528 -4.811528 -0.000000\n-4.811528 -0.000000 -4.811528\n0.000000 -4.811528 -4.811528\nSn N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.745260 0.254740 0.254740 Cl\n0.745260 0.254740 0.745260 Cl\n0.745260 0.745260 0.254740 Cl\n0.254740 0.745260 0.745260 Cl\n0.254740 0.745260 0.254740 Cl\n0.254740 0.254740 0.745260 Cl\n",
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"elements": [
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],
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"volume": 222.78146115380136,
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"formula_full": "Sn1 N2 Cl6",
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"formula_anonymous": "AB2C6",
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}
]
}