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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1138",
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"results": [
{
"id": "jvasp-32854",
"created_at": "2022-09-04T14:38:04.989770Z",
"updated_at": "2022-09-04T14:38:04.989796Z",
"structure_string": "Si4 Br16\n1.0\n6.665139 0.000000 0.000000\n0.000000 9.768025 -2.134905\n0.000000 0.056684 10.093287\nSi Br\n4 16\ndirect\n0.074943 0.748101 0.862606 Si\n0.425057 0.748102 0.362606 Si\n0.925057 0.251899 0.137395 Si\n0.574944 0.251898 0.637395 Si\n0.888535 0.191936 0.581341 Br\n0.918509 0.694601 0.037665 Br\n0.111466 0.808065 0.418660 Br\n0.581492 0.694601 0.537665 Br\n0.927767 0.430430 0.308926 Br\n0.918794 0.921624 0.802458 Br\n0.581206 0.921624 0.302458 Br\n0.572233 0.430430 0.808926 Br\n0.081206 0.078376 0.197543 Br\n0.081491 0.305399 0.962336 Br\n0.611466 0.191936 0.081341 Br\n0.072233 0.569570 0.691075 Br\n0.418509 0.305399 0.462336 Br\n0.418794 0.078376 0.697543 Br\n0.388534 0.808064 0.918660 Br\n0.427767 0.569570 0.191075 Br\n",
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{
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"nsites": 36,
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"elements": [
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"H",
"C",
"N",
"Cl"
],
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"density": 2.090213003890476,
"density_atomic": 0.07043117666545877,
"volume": 511.13727903477314,
"volume_molar": 8.550390672307781,
"formula_full": "Si4 B4 H4 C12 N4 Cl8",
"formula_reduced": "SiBHC3NCl2",
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"spacegroup": 14
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{
"id": "jvasp-59717",
"created_at": "2022-09-04T14:37:29.957137Z",
"updated_at": "2022-09-04T14:37:29.957160Z",
"structure_string": "Si4 As8\n1.0\n6.141131 -0.000000 0.000000\n-0.000000 6.141131 -0.000000\n-0.000000 0.000000 6.141131\nSi As\n4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.384742 0.384742 0.384742 As\n0.115258 0.615258 0.884742 As\n0.884742 0.115258 0.615258 As\n0.615258 0.884742 0.115258 As\n0.615258 0.615258 0.615258 As\n0.884742 0.384742 0.115258 As\n0.115258 0.884742 0.384742 As\n0.384742 0.115258 0.884742 As\n",
"nsites": 12,
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"elements": [
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"density": 5.102817185252602,
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"volume": 231.60348230639232,
"volume_molar": 11.6229064246272,
"formula_full": "Si4 As8",
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{
"id": "jvasp-25369",
"created_at": "2022-09-04T14:37:50.897309Z",
"updated_at": "2022-09-04T14:37:50.897336Z",
"structure_string": "Si46\n1.0\n10.274140 0.000000 0.000000\n-0.000000 10.274140 0.000000\n-0.000000 0.000000 10.274140\nSi\n46\ndirect\n0.000000 0.882935 0.308121 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816346 0.816346 0.816346 Si\n0.183654 0.183654 0.183654 Si\n0.183654 0.183654 0.816346 Si\n0.183654 0.816346 0.183654 Si\n0.316346 0.316346 0.683654 Si\n0.816346 0.816346 0.183654 Si\n0.816346 0.183654 0.816346 Si\n0.683654 0.683654 0.316346 Si\n0.816346 0.183654 0.183654 Si\n0.683654 0.683654 0.683654 Si\n0.183654 0.816346 0.816346 Si\n0.316346 0.316346 0.316346 Si\n0.316346 0.683654 0.316346 Si\n0.683654 0.316346 0.683654 Si\n0.250000 0.500000 0.000000 Si\n0.808121 0.382935 0.500000 Si\n0.191879 0.617065 0.500000 Si\n0.808121 0.617065 0.500000 Si\n0.000000 0.117065 0.691879 Si\n0.000000 0.117065 0.308121 Si\n0.000000 0.882935 0.691879 Si\n0.308121 0.000000 0.882935 Si\n0.382935 0.500000 0.191879 Si\n0.691879 0.000000 0.117065 Si\n0.617065 0.500000 0.808121 Si\n0.308121 0.000000 0.117065 Si\n0.617065 0.500000 0.191879 Si\n0.683654 0.316346 0.316346 Si\n0.691879 0.000000 0.882935 Si\n0.882935 0.308121 0.000000 Si\n0.500000 0.808121 0.617065 Si\n0.117065 0.691879 0.000000 Si\n0.500000 0.191879 0.382935 Si\n0.882935 0.691879 0.000000 Si\n0.500000 0.191879 0.617065 Si\n0.117065 0.308121 0.000000 Si\n0.500000 0.808121 0.382935 Si\n0.191879 0.382935 0.500000 Si\n0.382935 0.500000 0.808121 Si\n0.316346 0.683654 0.683654 Si\n",
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"elements": [
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"density": 1.978120078198709,
"density_atomic": 0.04241518774887947,
"volume": 1084.5171845600337,
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"formula_full": "Si46",
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"energy_above_hull": 0.1087899999999999,
"spacegroup": 223
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{
"id": "jvasp-7837",
"created_at": "2022-09-04T14:36:54.404966Z",
"updated_at": "2022-09-04T14:36:54.404992Z",
"structure_string": "Si4\n1.0\n3.734734 -1.000626 0.000000\n-1.000626 3.734734 -0.000000\n-0.000000 -0.000000 6.400450\nSi\n4\ndirect\n0.666677 0.333321 0.500106 Si\n0.000021 0.999977 0.000106 Si\n0.666677 0.333321 0.873894 Si\n0.000021 0.999977 0.373894 Si\n",
"nsites": 4,
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"volume": 82.8665343603785,
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"formula_full": "Si4",
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"spacegroup": 194
},
{
"id": "jvasp-25132",
"created_at": "2022-09-04T14:37:27.749356Z",
"updated_at": "2022-09-04T14:37:27.749379Z",
"structure_string": "Si4\n1.0\n-1.268374 -2.111024 -2.732924\n-1.268374 -2.111024 2.732924\n-2.826185 4.571172 0.000000\nSi\n4\ndirect\n0.725093 0.274904 -0.000000 Si\n0.274904 0.725093 -0.000000 Si\n0.784038 0.784038 0.568080 Si\n0.215959 0.215959 0.431918 Si\n",
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"volume": 64.30078288186806,
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"formula_full": "Si4",
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"spacegroup": 69
},
{
"id": "jvasp-25415",
"created_at": "2022-09-04T14:38:28.052773Z",
"updated_at": "2022-09-04T14:38:28.052799Z",
"structure_string": "Si4\n1.0\n0.000000 -0.000000 -3.881236\n-3.356981 -3.356981 -1.940618\n-3.356981 3.356981 -1.940618\nSi\n4\ndirect\n0.178863 0.642275 0.000000 Si\n0.821139 0.357725 0.000000 Si\n0.821139 0.000000 0.357725 Si\n0.178863 0.000000 0.642275 Si\n",
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"formula_full": "Si4",
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"spacegroup": 139
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{
"id": "jvasp-25149",
"created_at": "2022-09-04T14:37:55.486036Z",
"updated_at": "2022-09-04T14:37:55.486050Z",
"structure_string": "Si4\n1.0\n3.734734 -1.000626 -0.000000\n-1.000626 3.734734 0.000000\n-0.000000 0.000000 6.400450\nSi\n4\ndirect\n0.666677 0.333321 0.500106 Si\n0.000021 0.999977 0.000106 Si\n0.666677 0.333321 0.873894 Si\n0.000021 0.999977 0.373894 Si\n",
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{
"id": "jvasp-25094",
"created_at": "2022-09-04T14:37:38.379349Z",
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"structure_string": "Si4\n1.0\n0.000000 0.000000 -3.491651\n0.000000 -3.550399 0.000000\n-5.358982 1.775200 0.000000\nSi\n4\ndirect\n0.000000 0.641897 0.783797 Si\n0.000000 0.404181 0.308357 Si\n0.500000 0.848559 0.197122 Si\n0.500000 0.086284 0.672563 Si\n",
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{
"id": "jvasp-37216",
"created_at": "2022-09-04T14:37:56.941168Z",
"updated_at": "2022-09-04T14:37:56.941197Z",
"structure_string": "Si3 Se1\n1.0\n-0.000000 3.273125 3.273125\n3.273125 -0.000000 3.273125\n3.273125 3.273125 0.000000\nSi Se\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.249999 0.249999 0.249999 Si\n0.749998 0.749998 0.749998 Se\n",
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"spacegroup": 225
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{
"id": "jvasp-37224",
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"structure_string": "Si3 Ru1\n1.0\n0.000000 3.041082 3.041082\n3.041082 -0.000000 3.041082\n3.041082 3.041082 0.000000\nSi Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 Ru\n",
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{
"id": "jvasp-35269",
"created_at": "2022-09-04T14:37:29.512648Z",
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"structure_string": "Si3 Pt6\n1.0\n3.283566 -5.687304 -0.000000\n3.283566 5.687304 0.000000\n0.000000 0.000000 3.631705\nSi Pt\n3 6\ndirect\n0.333334 0.666668 0.000000 Si\n0.666668 0.333334 0.000000 Si\n0.000000 0.000000 0.500001 Si\n0.622973 0.000001 0.500001 Pt\n0.000001 0.622973 0.500001 Pt\n0.377027 0.377027 0.500001 Pt\n0.718223 0.718223 0.000000 Pt\n0.000000 0.281778 0.000000 Pt\n0.281778 0.000000 0.000000 Pt\n",
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}
]
}