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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1259",
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"results": [
{
"id": "jvasp-55817",
"created_at": "2022-09-04T14:38:13.392794Z",
"updated_at": "2022-09-04T14:38:13.392825Z",
"structure_string": "V4 Cd4 O12\n1.0\n5.307203 -0.000000 0.000000\n-0.000000 5.379474 0.000000\n0.000000 0.000000 7.583733\nV Cd O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.007989 0.964704 0.750000 Cd\n0.507989 0.535295 0.250000 Cd\n0.492010 0.464704 0.750000 Cd\n0.992010 0.035296 0.250000 Cd\n0.586952 0.021598 0.750000 O\n0.086952 0.478401 0.250000 O\n0.704893 0.291148 0.044510 O\n0.204893 0.208852 0.955489 O\n0.795106 0.791148 0.455490 O\n0.204893 0.208852 0.544510 O\n0.295107 0.708851 0.955489 O\n0.795106 0.791148 0.044510 O\n0.913047 0.521598 0.750000 O\n0.704893 0.291148 0.455490 O\n0.295107 0.708851 0.544510 O\n0.413047 0.978401 0.250000 O\n",
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{
"id": "jvasp-90878",
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"structure_string": "Ho2 Sn6\n1.0\n4.411965 0.000000 0.000000\n0.000000 4.442098 -0.000000\n0.000000 -2.221048 11.047566\nHo Sn\n2 6\ndirect\n0.499999 0.482227 0.964454 Ho\n0.000000 0.209466 0.418929 Ho\n0.499999 0.098239 0.196478 Sn\n0.499999 0.734507 0.469012 Sn\n0.499999 0.869123 0.738245 Sn\n0.000000 0.975971 0.951941 Sn\n0.000000 0.358224 0.716448 Sn\n0.000000 0.598247 0.196490 Sn\n",
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"volume": 216.51440651428163,
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"formula_full": "Ho2 Sn6",
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"spacegroup": 38
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{
"id": "jvasp-57088",
"created_at": "2022-09-04T14:37:49.857757Z",
"updated_at": "2022-09-04T14:37:49.857781Z",
"structure_string": "Ga4 Pb2 O8\n1.0\n5.311511 -0.000868 0.001281\n-2.655009 4.722088 0.013906\n-0.002283 -0.026580 8.632893\nGa Pb O\n4 2 8\ndirect\n0.293221 0.656105 0.058647 Ga\n0.293737 0.657113 0.454222 Ga\n0.639878 0.349414 0.954269 Ga\n0.640371 0.350418 0.558610 Ga\n0.981257 0.955115 0.256183 Pb\n0.029302 0.051506 0.756178 Pb\n0.323301 0.002665 0.006309 O\n0.995557 0.364305 0.946225 O\n0.634605 0.642385 0.446327 O\n0.323965 0.003981 0.506024 O\n-0.003703 0.365903 0.567067 O\n0.129633 0.616097 0.256479 O\n0.516640 0.390015 0.756483 O\n0.633737 0.640776 0.066977 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ga-O-Pb",
"density": 6.298996846261606,
"density_atomic": 0.06466291442911742,
"volume": 216.50740804988928,
"volume_molar": 9.31312919185136,
"formula_full": "Ga4 Pb2 O8",
"formula_reduced": "Ga2PbO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 40
},
{
"id": "jvasp-12314",
"created_at": "2022-09-04T14:38:12.337058Z",
"updated_at": "2022-09-04T14:38:12.337075Z",
"structure_string": "Ga4 Pb2 O8\n1.0\n5.311427 0.000000 0.000000\n-2.655714 4.721810 0.000000\n0.000000 -0.000000 8.632733\nGa Pb O\n4 2 8\ndirect\n0.709945 0.346644 0.447806 Ga\n0.363302 0.653356 0.552194 Ga\n0.709945 0.346644 0.052194 Ga\n0.363302 0.653356 0.947806 Ga\n0.022297 0.048209 0.250000 Pb\n0.974089 0.951791 0.750000 Pb\n0.873677 0.386957 0.250000 O\n0.486720 0.613043 0.750000 O\n0.679818 -0.000000 0.500000 O\n0.679818 -0.000000 0.000000 O\n0.369326 0.361804 0.439609 O\n0.007522 0.638196 0.560390 O\n0.007522 0.638196 0.939609 O\n0.369326 0.361804 0.060390 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.064663618301154,
"volume": 216.5050513381209,
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"formula_full": "Ga4 Pb2 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 40
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{
"id": "jvasp-37017",
"created_at": "2022-09-04T14:37:55.973418Z",
"updated_at": "2022-09-04T14:37:55.973442Z",
"structure_string": "K6 O6\n1.0\n3.514558 -6.087393 -0.000000\n3.514558 6.087393 0.000000\n-0.000000 -0.000000 5.059729\nK O\n6 6\ndirect\n0.292151 0.000000 0.500000 K\n0.707849 0.707849 0.500000 K\n0.000000 0.292151 0.500000 K\n0.629625 0.000000 0.000000 K\n0.370375 0.370375 0.000000 K\n0.000000 0.629625 0.000000 K\n0.666667 0.333333 0.653008 O\n0.666667 0.333333 0.346992 O\n0.333333 0.666667 0.346992 O\n0.333333 0.666667 0.653008 O\n0.000000 0.000000 0.150910 O\n0.000000 0.000000 0.849091 O\n",
"nsites": 12,
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"elements": [
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"density": 2.5355636104646155,
"density_atomic": 0.05542707217698214,
"volume": 216.5007013483094,
"volume_molar": 10.864980817985343,
"formula_full": "K6 O6",
"formula_reduced": "KO",
"formula_anonymous": "AB",
"energy_above_hull": 0.060218375,
"spacegroup": 189
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{
"id": "jvasp-21126",
"created_at": "2022-09-04T14:37:40.140592Z",
"updated_at": "2022-09-04T14:37:40.140615Z",
"structure_string": "Tm1 Mn6 Ga2 Sn4\n1.0\n2.674262 -4.631957 0.000000\n2.674262 4.631957 0.000000\n-0.000000 0.000000 8.738650\nTm Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 -0.000000 0.234960 Mn\n-0.000000 0.500000 0.765040 Mn\n0.500000 0.500000 0.765040 Mn\n0.500000 0.500000 0.234960 Mn\n-0.000000 0.500000 0.234960 Mn\n0.500000 -0.000000 0.765040 Mn\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.330850 Sn\n0.000000 0.000000 0.669149 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
"nsites": 13,
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"elements": [
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"Mn",
"Ga",
"Sn"
],
"chemical_system": "Ga-Mn-Sn-Tm",
"density": 8.535762468108954,
"density_atomic": 0.06004827541574523,
"volume": 216.49247892623535,
"volume_molar": 10.028832165962482,
"formula_full": "Tm1 Mn6 Ga2 Sn4",
"formula_reduced": "TmMn6(GaSn2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.5970283960212206,
"spacegroup": 191
},
{
"id": "jvasp-50899",
"created_at": "2022-09-04T14:37:10.038656Z",
"updated_at": "2022-09-04T14:37:10.038682Z",
"structure_string": "Ce3 Th2 O9\n1.0\n3.917414 -0.001112 -0.001389\n-1.956028 6.570106 0.005371\n-1.956288 -1.797689 8.411253\nCe Th O\n3 2 9\ndirect\n0.004021 0.997635 0.012449 Ce\n0.611883 0.429854 0.795948 Ce\n0.187816 0.792868 0.584814 Ce\n0.802978 0.198828 0.409165 Th\n0.390234 0.588375 0.194119 Th\n0.129309 0.319830 0.940782 O\n0.056018 0.465271 0.648821 O\n0.359544 0.147954 0.573172 O\n0.772908 0.789620 0.758284 O\n0.639947 0.846030 0.435912 O\n0.253082 0.245343 0.262860 O\n0.943544 0.543495 0.345631 O\n0.844803 0.643246 0.048390 O\n0.542891 0.951745 0.136072 O\n",
"nsites": 14,
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"elements": [
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"Th",
"O"
],
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"density": 7.888472934228226,
"density_atomic": 0.06466985759546003,
"volume": 216.48416311006125,
"volume_molar": 9.31212930399706,
"formula_full": "Ce3 Th2 O9",
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"formula_anonymous": "A2B3C9",
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"spacegroup": 8
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{
"id": "jvasp-66671",
"created_at": "2022-09-04T14:35:41.245640Z",
"updated_at": "2022-09-04T14:35:41.245669Z",
"structure_string": "Ba4 V1 Pt1\n1.0\n0.000000 4.765757 4.765757\n4.765757 0.000000 4.765757\n4.765757 4.765757 -0.000000\nBa V Pt\n4 1 1\ndirect\n0.127009 0.624331 0.624331 Ba\n0.624331 0.624331 0.624331 Ba\n0.624331 0.127009 0.624331 Ba\n0.624331 0.624331 0.127009 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Pt\n",
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"formula_full": "Ba4 V1 Pt1",
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"spacegroup": 216
},
{
"id": "jvasp-21644",
"created_at": "2022-09-04T14:38:33.619479Z",
"updated_at": "2022-09-04T14:38:33.619500Z",
"structure_string": "Lu4 Ge4 Ir4\n1.0\n4.247968 0.000000 0.000000\n0.000000 6.706580 0.000000\n0.000000 0.000000 7.598635\nLu Ge Ir\n4 4 4\ndirect\n0.750000 0.509935 0.808139 Lu\n0.250000 0.990065 0.308139 Lu\n0.750000 0.009935 0.691862 Lu\n0.250000 0.490065 0.191862 Lu\n0.250000 0.712718 0.613186 Ge\n0.250000 0.212718 0.886814 Ge\n0.750000 0.287282 0.386814 Ge\n0.750000 0.787282 0.113186 Ge\n0.250000 0.834303 0.935709 Ir\n0.250000 0.334303 0.564292 Ir\n0.750000 0.665697 0.435709 Ir\n0.750000 0.165697 0.064291 Ir\n",
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"formula_full": "Lu4 Ge4 Ir4",
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{
"id": "jvasp-36061",
"created_at": "2022-09-04T14:37:17.110890Z",
"updated_at": "2022-09-04T14:37:17.110915Z",
"structure_string": "Sm6 Au2\n1.0\n6.900572 0.000354 0.000282\n-3.449980 5.976415 -0.000299\n0.000214 -0.000138 5.249030\nSm Au\n6 2\ndirect\n0.176531 0.353102 0.250014 Sm\n0.646916 0.823488 0.250012 Sm\n0.176504 0.823504 0.249979 Sm\n0.823473 0.646901 0.749987 Sm\n0.353081 0.176505 0.749989 Sm\n0.823491 0.176504 0.750021 Sm\n0.333329 0.666670 0.750001 Au\n0.666673 0.333331 0.250000 Au\n",
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{
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"structure_string": "Hg6 Bi2\n1.0\n6.553155 0.000000 0.000000\n-3.276578 5.675199 0.000000\n0.000000 0.000000 5.820841\nHg Bi\n6 2\ndirect\n0.166368 0.332735 0.250000 Hg\n0.667265 0.833633 0.250000 Hg\n0.166367 0.833633 0.250000 Hg\n0.833633 0.667265 0.750000 Hg\n0.332735 0.166368 0.750000 Hg\n0.833633 0.166368 0.750000 Hg\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
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{
"id": "jvasp-66474",
"created_at": "2022-09-04T14:36:16.433008Z",
"updated_at": "2022-09-04T14:36:16.433029Z",
"structure_string": "Ba4 Hg1 Ir1\n1.0\n0.000000 4.765665 4.765665\n4.765665 0.000000 4.765665\n4.765665 4.765665 0.000000\nBa Hg Ir\n4 1 1\ndirect\n0.122256 0.625915 0.625915 Ba\n0.625915 0.625915 0.625915 Ba\n0.625915 0.122256 0.625915 Ba\n0.625915 0.625915 0.122256 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ir\n",
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}
]
}