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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3462",
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"results": [
{
"id": "jvasp-13827",
"created_at": "2022-09-04T14:35:55.942470Z",
"updated_at": "2022-09-04T14:35:55.942497Z",
"structure_string": "Mg2 Si2 O6\n1.0\n2.711637 0.000000 -0.000000\n-1.355819 4.583012 -0.000000\n-0.000000 0.000000 6.710265\nMg Si O\n2 2 6\ndirect\n0.259928 0.519856 0.749999 Mg\n0.740072 0.480143 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.626456 0.252912 0.943947 O\n0.373544 0.747087 0.056053 O\n0.373544 0.747087 0.443947 O\n0.626456 0.252912 0.556052 O\n0.926465 0.852929 0.749999 O\n0.073536 0.147070 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:35:41.661966Z",
"structure_string": "Li4 Ti5 Cr3 O16\n1.0\n5.840694 -0.022527 0.016862\n-2.939856 5.091965 -0.000018\n0.027066 0.015599 9.505269\nLi Ti Cr O\n4 5 3 16\ndirect\n0.331493 0.665758 0.894888 Li\n0.993021 0.996513 0.993170 Li\n0.996840 0.998427 0.496861 Li\n0.669160 0.334593 0.399356 Li\n0.347510 0.173767 0.721665 Ti\n0.177383 0.834467 0.217349 Ti\n0.336143 0.668082 0.496709 Ti\n0.177381 0.342938 0.217347 Ti\n0.681256 0.340637 0.990840 Ti\n0.828417 0.168813 0.712836 Cr\n0.657060 0.828540 0.212249 Cr\n0.828416 0.659626 0.712836 Cr\n0.332071 0.166044 0.095774 O\n0.834579 0.667874 0.095943 O\n0.662995 0.331510 0.602720 O\n0.514558 0.034923 0.841598 O\n0.514559 0.479658 0.841600 O\n0.665224 0.832622 0.597073 O\n0.482514 0.518937 0.340569 O\n0.037313 0.518667 0.339750 O\n0.167359 0.333524 0.596236 O\n-0.003016 -0.001495 0.808115 O\n0.996324 0.998173 0.310755 O\n0.329058 0.664540 0.100988 O\n0.957909 0.478967 0.837864 O\n0.167359 0.833856 0.596237 O\n0.482516 0.963600 0.340570 O\n0.834580 0.166722 0.095940 O\n",
"nsites": 28,
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"formula_full": "Li4 Ti5 Cr3 O16",
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"formula_anonymous": "A3B4C5D16",
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"spacegroup": 8
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{
"id": "jvasp-106546",
"created_at": "2022-09-04T14:37:02.835474Z",
"updated_at": "2022-09-04T14:37:02.835498Z",
"structure_string": "La1 Y1 Mg2\n1.0\n4.724725 -0.000000 2.727821\n1.574908 4.454513 2.727821\n0.000000 -0.000000 5.455642\nLa Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.749999 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "La-Mg-Y",
"density": 3.9975877302194447,
"density_atomic": 0.03483672825258177,
"volume": 114.82134519057648,
"volume_molar": 17.286757574755015,
"formula_full": "La1 Y1 Mg2",
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"spacegroup": 225
},
{
"id": "jvasp-96985",
"created_at": "2022-09-04T14:36:21.371911Z",
"updated_at": "2022-09-04T14:36:21.371934Z",
"structure_string": "Al8 Co2 B4 O20\n1.0\n4.387094 0.000000 0.000000\n0.000000 6.873026 -2.301675\n0.000000 -0.000329 9.601406\nAl Co B O\n8 2 4 20\ndirect\n0.519960 0.702738 0.331663 Al\n0.480039 0.297263 0.668339 Al\n0.005618 0.075513 0.391476 Al\n0.994381 0.924488 0.608525 Al\n0.505617 0.924488 0.108525 Al\n0.494382 0.075513 0.891476 Al\n0.019961 0.297263 0.168338 Al\n0.980039 0.702738 0.831663 Al\n0.000000 0.500000 0.500001 Co\n0.500000 0.500000 0.000000 Co\n0.070184 0.708626 0.148893 B\n0.929815 0.291375 0.851108 B\n0.429816 0.708625 0.648893 B\n0.570184 0.291375 0.351108 B\n0.741718 0.120458 0.242897 O\n0.258281 0.879543 0.757104 O\n0.800571 0.288949 0.995515 O\n0.207238 0.541393 0.185443 O\n0.240897 0.281482 0.344611 O\n0.758280 0.120458 0.742898 O\n0.199428 0.711052 0.004486 O\n0.292761 0.541393 0.685443 O\n0.716597 0.887598 0.938528 O\n0.759102 0.718519 0.655390 O\n0.259102 0.281482 0.844611 O\n0.216597 0.112402 0.561473 O\n0.792761 0.458607 0.814559 O\n0.699427 0.288949 0.495515 O\n0.783402 0.887598 0.438528 O\n0.300572 0.711052 0.504486 O\n0.707238 0.458607 0.314558 O\n0.740897 0.718519 0.155390 O\n0.283402 0.112402 0.061473 O\n0.241719 0.879543 0.257103 O\n",
"nsites": 34,
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"elements": [
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],
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"density": 3.9975727664410026,
"density_atomic": 0.11744218955789529,
"volume": 289.5041392534586,
"volume_molar": 5.12774905054991,
"formula_full": "Al8 Co2 B4 O20",
"formula_reduced": "Al4Co(BO5)2",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 3.0112966039215685,
"spacegroup": 14
},
{
"id": "jvasp-110680",
"created_at": "2022-09-04T14:38:36.613043Z",
"updated_at": "2022-09-04T14:38:36.613063Z",
"structure_string": "K2 Ga1 Ag1 Br6\n1.0\n6.546312 -0.000000 3.779515\n2.182104 6.171922 3.779515\n-0.000000 -0.000000 7.559030\nK Ga Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Ag\n0.759239 0.240761 0.240762 Br\n0.240761 0.240761 0.759239 Br\n0.240761 0.759239 0.759240 Br\n0.240761 0.759239 0.240762 Br\n0.759239 0.240761 0.759240 Br\n0.759238 0.759239 0.240762 Br\n",
"nsites": 10,
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"elements": [
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"Ga",
"Ag",
"Br"
],
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"density": 3.9974069967962875,
"density_atomic": 0.03274287439080168,
"volume": 305.4099612833398,
"volume_molar": 18.392217763544227,
"formula_full": "K2 Ga1 Ag1 Br6",
"formula_reduced": "K2GaAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-71342",
"created_at": "2022-09-04T14:36:10.654553Z",
"updated_at": "2022-09-04T14:36:10.654580Z",
"structure_string": "Ti1 Be2 Br1\n1.0\n3.398415 0.000000 0.000000\n-0.000000 3.398415 0.000000\n-0.000000 -0.000000 5.244224\nTi Be Br\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ti\n0.000000 0.000000 0.682885 Be\n0.000000 0.000000 0.317114 Be\n0.500001 0.500001 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Be",
"Br"
],
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"density": 3.9972264665908015,
"density_atomic": 0.06604286934590312,
"volume": 60.566720368398634,
"volume_molar": 9.11853288575139,
"formula_full": "Ti1 Be2 Br1",
"formula_reduced": "TiBe2Br",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-86436",
"created_at": "2022-09-04T14:35:41.216418Z",
"updated_at": "2022-09-04T14:35:41.216451Z",
"structure_string": "Li1 Sb1 F6\n1.0\n4.509030 0.056403 3.028820\n1.643489 4.199223 3.028820\n0.081545 0.056403 5.431247\nLi Sb F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sb\n0.623259 0.891282 0.243011 F\n0.891283 0.243009 0.623259 F\n0.756990 0.376741 0.108717 F\n0.243010 0.623257 0.891285 F\n0.108717 0.756989 0.376742 F\n0.376741 0.108716 0.756991 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.9971566651595967,
"density_atomic": 0.07934830218564845,
"volume": 100.82131286543068,
"volume_molar": 7.5895017210452815,
"formula_full": "Li1 Sb1 F6",
"formula_reduced": "LiSbF6",
"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-37520",
"created_at": "2022-09-04T14:37:47.015944Z",
"updated_at": "2022-09-04T14:37:47.015963Z",
"structure_string": "Sr1 Al1 Ge1 H1\n1.0\n2.129091 -3.687695 0.000000\n2.129091 3.687695 -0.000000\n0.000000 0.000000 4.980382\nSr Al Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000413 Sr\n0.666667 0.333332 0.457667 Al\n0.333332 0.666667 0.564515 Ge\n0.666667 0.333332 0.106602 H\n",
"nsites": 4,
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"elements": [
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"Al",
"Ge",
"H"
],
"chemical_system": "Al-Ge-H-Sr",
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"density_atomic": 0.05114675936801578,
"volume": 78.20632332185191,
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"formula_full": "Sr1 Al1 Ge1 H1",
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"spacegroup": 156
},
{
"id": "jvasp-57726",
"created_at": "2022-09-04T14:38:05.227780Z",
"updated_at": "2022-09-04T14:38:05.227807Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.815167 -0.000000 0.000000\n-0.000000 4.973330 0.000000\n0.000000 0.000000 6.966198\nMg Si O\n4 4 12\ndirect\n0.514870 0.556643 0.250000 Mg\n0.014870 0.943357 0.750000 Mg\n0.985131 0.056643 0.250000 Mg\n0.485130 0.443357 0.750000 Mg\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.605034 0.035812 0.750000 O\n0.105034 0.464188 0.250000 O\n0.195613 0.200986 0.554248 O\n0.695613 0.299014 0.445752 O\n0.304388 0.700986 0.945752 O\n0.695613 0.299014 0.054248 O\n0.804388 0.799014 0.445752 O\n0.304388 0.700986 0.554248 O\n0.394967 0.964188 0.250000 O\n0.195613 0.200986 0.945752 O\n0.804388 0.799014 0.054248 O\n0.894967 0.535812 0.750000 O\n",
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"density_atomic": 0.11988795441926937,
"volume": 166.8224309679725,
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"formula_full": "Mg4 Si4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-48724",
"created_at": "2022-09-04T14:35:47.557163Z",
"updated_at": "2022-09-04T14:35:47.557182Z",
"structure_string": "Li2 Ti2 O4\n1.0\n2.868045 -0.000152 0.000071\n-1.433931 2.483934 0.000062\n-0.000042 -0.000236 10.124740\nLi Ti O\n2 2 4\ndirect\n0.000151 0.999516 0.000040 Li\n0.000161 0.999474 0.500053 Li\n0.667029 0.333114 0.750048 Ti\n0.333264 0.665953 0.250046 Ti\n0.666608 0.332635 0.128373 O\n0.666613 0.332641 0.371719 O\n0.333684 0.666423 0.871723 O\n0.333679 0.666427 0.628374 O\n",
"nsites": 8,
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"formula_full": "Li2 Ti2 O4",
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{
"id": "jvasp-108190",
"created_at": "2022-09-04T14:38:11.696430Z",
"updated_at": "2022-09-04T14:38:11.696457Z",
"structure_string": "Rb2 Fe2 O4\n1.0\n5.095251 -0.000000 2.941750\n1.698418 4.803847 2.941750\n-0.000000 -0.000000 5.883493\nRb Fe O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750001 0.749999 Rb\n0.250000 0.249999 0.250000 Fe\n0.000000 1.000000 -0.000000 Fe\n0.124999 0.125000 0.124999 O\n0.124999 0.125000 0.625002 O\n0.124999 0.625002 0.124999 O\n0.625002 0.125000 0.124999 O\n",
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},
{
"id": "jvasp-36448",
"created_at": "2022-09-04T14:37:15.896052Z",
"updated_at": "2022-09-04T14:37:15.896062Z",
"structure_string": "Sr3 N2\n1.0\n4.944071 -0.000000 0.000000\n0.000000 4.944071 0.000000\n-0.000000 0.000000 4.944071\nSr N\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
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"formula_full": "Sr3 N2",
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"formula_anonymous": "A2B3",
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}
]
}