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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1297",
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"results": [
{
"id": "jvasp-118435",
"created_at": "2022-09-04T14:38:51.351469Z",
"updated_at": "2022-09-04T14:38:51.351488Z",
"structure_string": "Sr1 H1 I2\n1.0\n4.733208 0.000000 0.000000\n0.000000 4.733208 0.000000\n-0.000000 0.000000 6.304123\nSr H I\n1 1 2\ndirect\n0.500001 0.500001 0.502296 Sr\n0.000000 0.000000 0.002664 H\n0.000000 0.000000 0.502721 I\n0.500001 0.500001 0.002320 I\n",
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{
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"updated_at": "2022-09-04T14:35:53.525312Z",
"structure_string": "Sr2 H2 I2\n1.0\n4.303371 0.000000 0.000000\n0.000000 4.303371 0.000000\n0.000000 0.000000 8.451187\nSr H I\n2 2 2\ndirect\n0.000000 0.500000 0.155688 Sr\n0.500000 0.000000 0.844313 Sr\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.667063 I\n0.500000 0.000000 0.332938 I\n",
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{
"id": "jvasp-118434",
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"updated_at": "2022-09-04T14:38:49.800624Z",
"structure_string": "Sn1 H1 I1\n1.0\n3.159224 0.000000 -0.000000\n-0.000000 3.159224 0.000000\n-0.000000 0.000000 8.875090\nSn H I\n1 1 1\ndirect\n0.000000 0.000000 0.049704 Sn\n0.000000 0.000000 0.250090 H\n0.000000 0.000000 0.603226 I\n",
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"volume": 88.5795777669774,
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"spacegroup": 99
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{
"id": "jvasp-118433",
"created_at": "2022-09-04T14:38:52.906942Z",
"updated_at": "2022-09-04T14:38:52.906969Z",
"structure_string": "Sn1 H1 I1\n1.0\n5.255628 -0.000000 0.000000\n-2.627814 4.551507 -0.000000\n0.000000 0.000000 3.639222\nSn H I\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 H\n0.333334 0.666666 0.000000 I\n",
"nsites": 3,
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"density_atomic": 0.03446139650849387,
"volume": 87.05393001878421,
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"formula_full": "Sn1 H1 I1",
"formula_reduced": "SnHI",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-118431",
"created_at": "2022-09-04T14:38:51.582269Z",
"updated_at": "2022-09-04T14:38:51.582296Z",
"structure_string": "Si1 H1 I1\n1.0\n3.032372 -0.000000 0.000000\n0.000000 3.032372 -0.000000\n0.000000 -0.000000 8.397770\nSi H I\n1 1 1\ndirect\n0.000000 0.000000 0.056172 Si\n0.000000 0.000000 0.237620 H\n0.000000 0.000000 0.607633 I\n",
"nsites": 3,
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"elements": [
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"H",
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"density": 3.354586120389296,
"density_atomic": 0.038850116290996384,
"volume": 77.21984607534516,
"volume_molar": 15.500959417708737,
"formula_full": "Si1 H1 I1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-13401",
"created_at": "2022-09-04T14:37:08.017234Z",
"updated_at": "2022-09-04T14:37:08.017266Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512955 -0.072487\n8.337932 0.000000 0.000000\n0.000000 -2.393692 -10.212006\nSi H I\n4 12 4\ndirect\n0.558714 0.928701 0.290733 Si\n0.441287 0.428701 0.209268 Si\n0.441288 0.071299 0.709268 Si\n0.558714 0.571299 0.790733 Si\n0.778773 0.013758 0.227032 H\n0.221228 0.513758 0.272969 H\n0.221228 0.986242 0.772969 H\n0.778774 0.486242 0.727032 H\n0.411962 0.462136 0.871246 H\n0.588040 0.962136 0.628755 H\n0.588040 0.537864 0.128755 H\n0.411962 0.037864 0.371245 H\n0.333746 0.667311 0.696773 H\n0.666257 0.167311 0.803228 H\n0.666256 0.332689 0.303228 H\n0.333745 0.832689 0.196772 H\n0.863816 0.730459 0.443291 I\n0.136185 0.230459 0.056710 I\n0.136186 0.269540 0.556710 I\n0.863816 0.769540 0.943291 I\n",
"nsites": 20,
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"elements": [
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"density": 2.721082125518028,
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"volume": 385.711359309416,
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"formula_full": "Si4 H12 I4",
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"spacegroup": 14
},
{
"id": "jvasp-58885",
"created_at": "2022-09-04T14:37:02.502467Z",
"updated_at": "2022-09-04T14:37:02.502488Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512711 -0.072827\n8.335815 0.000000 0.000000\n0.000000 -2.392822 -10.213925\nSi H I\n4 12 4\ndirect\n0.558681 0.928522 0.290823 Si\n0.441319 0.428521 0.209177 Si\n0.441319 0.071479 0.709177 Si\n0.558681 0.571479 0.790823 Si\n0.778817 0.013691 0.227206 H\n0.221183 0.513691 0.272794 H\n0.221183 0.986310 0.772794 H\n0.778817 0.486310 0.727206 H\n0.411730 0.462391 0.871333 H\n0.588270 0.962391 0.628667 H\n0.588270 0.537609 0.128667 H\n0.411730 0.037609 0.371333 H\n0.333830 0.667523 0.696857 H\n0.666171 0.167523 0.803143 H\n0.666171 0.332477 0.303143 H\n0.333829 0.832477 0.196857 H\n0.863748 0.730207 0.443318 I\n0.136252 0.230206 0.056682 I\n0.136252 0.269794 0.556682 I\n0.863748 0.769794 0.943318 I\n",
"nsites": 20,
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"elements": [
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"volume": 385.67109989779414,
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"formula_full": "Si4 H12 I4",
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"formula_anonymous": "ABC3",
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"spacegroup": 14
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{
"id": "jvasp-118432",
"created_at": "2022-09-04T14:38:33.657953Z",
"updated_at": "2022-09-04T14:38:33.657975Z",
"structure_string": "Si1 H1 I2\n1.0\n4.255551 0.000000 0.000000\n0.000000 4.255551 0.000000\n-0.000000 0.000000 6.148665\nSi H I\n1 1 2\ndirect\n0.500000 0.500000 0.565395 Si\n0.000000 0.000000 0.976780 H\n0.000000 0.000000 0.492130 I\n0.500000 0.500000 0.975698 I\n",
"nsites": 4,
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"density_atomic": 0.035922583275257054,
"volume": 111.35056656003748,
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"formula_full": "Si1 H1 I2",
"formula_reduced": "SiHI2",
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},
{
"id": "jvasp-118430",
"created_at": "2022-09-04T14:38:50.949063Z",
"updated_at": "2022-09-04T14:38:50.949092Z",
"structure_string": "Si1 H1 I1\n1.0\n4.802118 -0.000000 0.000000\n-2.401059 4.158756 0.000000\n0.000000 -0.000000 3.528198\nSi H I\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Si\n0.000000 0.000000 0.000000 H\n0.333333 0.666667 0.000000 I\n",
"nsites": 3,
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},
{
"id": "jvasp-35250",
"created_at": "2022-09-04T14:38:02.354156Z",
"updated_at": "2022-09-04T14:38:02.354190Z",
"structure_string": "Na2 H6 Ir1\n1.0\n3.629818 3.629818 -0.000000\n0.000000 3.629818 3.629818\n3.629818 0.000000 3.629818\nNa H Ir\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.233159 0.766842 0.766842 H\n0.233159 0.233159 0.766842 H\n0.233159 0.766842 0.233159 H\n0.766842 0.233159 0.233159 H\n0.766842 0.766842 0.233159 H\n0.766842 0.233159 0.766842 H\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
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"volume": 95.64990554662869,
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"formula_full": "Na2 H6 Ir1",
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"spacegroup": 225
},
{
"id": "jvasp-97563",
"created_at": "2022-09-04T14:36:19.845849Z",
"updated_at": "2022-09-04T14:36:19.845870Z",
"structure_string": "Li12 H24 Ir4\n1.0\n8.490002 -0.000000 0.000000\n-0.000000 4.751497 0.000000\n0.000000 0.000000 8.469586\nLi H Ir\n12 24 4\ndirect\n0.541478 0.250000 0.869924 Li\n0.771424 0.750000 0.758371 Li\n0.271424 0.750000 0.741630 Li\n0.228576 0.250000 0.241629 Li\n0.602642 0.750000 0.478232 Li\n0.102642 0.750000 0.021768 Li\n0.728576 0.250000 0.258371 Li\n0.897358 0.250000 0.978233 Li\n0.958521 0.750000 0.369923 Li\n0.458522 0.750000 0.130077 Li\n0.041478 0.250000 0.630077 Li\n0.397358 0.250000 0.521768 Li\n0.387414 0.750000 0.559347 H\n0.105140 0.495566 0.820801 H\n0.612586 0.250000 0.440654 H\n0.112586 0.250000 0.059347 H\n0.887414 0.750000 0.940654 H\n0.225879 0.250000 0.896994 H\n0.334526 0.250000 0.733940 H\n0.165473 0.750000 0.233940 H\n0.665473 0.750000 0.266060 H\n0.725879 0.250000 0.603007 H\n0.605140 0.004434 0.679200 H\n0.834526 0.250000 0.766061 H\n0.894859 0.995566 0.179199 H\n0.346030 0.498634 0.971173 H\n0.894859 0.504434 0.179199 H\n0.394860 0.995566 0.320801 H\n0.105140 0.004434 0.820801 H\n0.605140 0.495566 0.679200 H\n0.274121 0.750000 0.396994 H\n0.846030 0.001366 0.528828 H\n0.653969 -0.001366 0.028827 H\n0.153970 0.501367 0.471173 H\n0.653969 0.501367 0.028827 H\n0.153970 -0.001366 0.471173 H\n0.346030 0.001366 0.971173 Ir\n0.846030 0.498634 0.528828 Ir\n0.394860 0.504434 0.320801 Ir\n0.774121 0.750000 0.103007 Ir\n",
"nsites": 40,
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"elements": [
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"Ir"
],
"chemical_system": "H-Ir-Li",
"density": 4.259185270107273,
"density_atomic": 0.11707375746239498,
"volume": 341.6649543587795,
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"formula_full": "Li12 H24 Ir4",
"formula_reduced": "Li3H6Ir",
"formula_anonymous": "AB3C6",
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"spacegroup": 1
},
{
"id": "jvasp-95247",
"created_at": "2022-09-04T14:35:56.268489Z",
"updated_at": "2022-09-04T14:35:56.268520Z",
"structure_string": "Li12 H24 Ir4\n1.0\n8.492110 -0.000000 0.000000\n-0.000000 4.752113 0.000000\n0.000000 0.000000 8.472122\nLi H Ir\n12 24 4\ndirect\n0.540714 0.250000 0.869265 Li\n0.770557 0.750000 0.758831 Li\n0.270557 0.750000 0.741168 Li\n0.229443 0.250000 0.241168 Li\n0.602915 0.750000 0.478542 Li\n0.102915 0.750000 0.021458 Li\n0.729443 0.250000 0.258832 Li\n0.897085 0.250000 0.978542 Li\n0.959286 0.750000 0.369265 Li\n0.459286 0.750000 0.130735 Li\n0.040714 0.250000 0.630735 Li\n0.397085 0.250000 0.521458 Li\n0.387476 0.750000 0.559471 H\n0.104712 0.495644 0.820787 H\n0.612524 0.250000 0.440529 H\n0.112524 0.250000 0.059471 H\n0.887476 0.750000 0.940529 H\n0.225673 0.250000 0.896886 H\n0.334239 0.250000 0.733681 H\n0.165761 0.750000 0.233681 H\n0.665761 0.750000 0.266318 H\n0.725673 0.250000 0.603113 H\n0.604712 0.004356 0.679212 H\n0.834239 0.250000 0.766318 H\n0.895288 0.995643 0.179212 H\n0.345901 0.498625 0.971226 H\n0.895288 0.504356 0.179212 H\n0.395288 0.995643 0.320788 H\n0.104712 0.004356 0.820787 H\n0.604712 0.495644 0.679212 H\n0.274327 0.750000 0.396886 H\n0.845901 0.001375 0.528774 H\n0.654099 -0.001375 0.028774 H\n0.154099 0.501375 0.471226 H\n0.654099 0.501375 0.028774 H\n0.154099 -0.001375 0.471226 H\n0.345901 0.001375 0.971226 Ir\n0.845901 0.498625 0.528774 Ir\n0.395288 0.504356 0.320788 Ir\n0.774327 0.750000 0.103113 Ir\n",
"nsites": 40,
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"elements": [
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"H",
"Ir"
],
"chemical_system": "H-Ir-Li",
"density": 4.256301604144274,
"density_atomic": 0.11699449309887358,
"volume": 341.896434101351,
"volume_molar": 5.147371128751,
"formula_full": "Li12 H24 Ir4",
"formula_reduced": "Li3H6Ir",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.60426311,
"spacegroup": 1
}
]
}