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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3452",
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"results": [
{
"id": "jvasp-90114",
"created_at": "2022-09-04T14:35:42.747144Z",
"updated_at": "2022-09-04T14:35:42.747170Z",
"structure_string": "Zn2 Ga2 S5\n1.0\n-3.193072 1.843521 -0.000000\n0.000000 3.687041 -0.000000\n-1.064358 1.843521 -15.135933\nZn Ga S\n2 2 5\ndirect\n0.866289 0.866289 0.401130 Zn\n0.133711 0.133710 0.598869 Zn\n0.724023 0.724022 0.827932 Ga\n0.275977 0.275977 0.172068 Ga\n0.500000 0.500000 0.500000 S\n0.772735 0.772734 0.681795 S\n0.227265 0.227265 0.318205 S\n0.631898 0.631898 0.104304 S\n0.368102 0.368101 0.895695 S\n",
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{
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"structure_string": "Rb2 O1\n1.0\n4.774105 -0.000000 0.000000\n-2.387053 1.378166 3.919433\n2.387053 -4.134496 0.000000\nRb O\n2 1\ndirect\n0.249942 0.749824 0.249941 Rb\n0.750059 0.250175 0.750059 Rb\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Li2 V4 O6 F2\n1.0\n5.928670 0.053396 0.049155\n3.007439 5.110220 0.009338\n2.934236 1.734491 4.848143\nLi V O F\n2 4 6 2\ndirect\n0.503155 0.003152 0.991788 Li\n0.866765 0.366749 0.384503 Li\n0.130153 0.630108 0.611722 V\n0.993648 0.025235 0.987397 V\n0.499339 -0.000712 0.519140 V\n0.525209 0.493698 0.987390 V\n0.737840 0.748054 0.757087 O\n0.744220 0.244329 0.778476 O\n0.734775 0.234723 0.250617 O\n0.248081 0.237778 0.757034 O\n0.257254 0.757322 0.754209 O\n0.248305 0.748287 0.225075 O\n0.742987 0.768275 0.247789 F\n0.268277 0.243009 0.247760 F\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.09620042163327489,
"volume": 145.52950769144573,
"volume_molar": 6.2599941432242066,
"formula_full": "Li2 V4 O6 F2",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 8
},
{
"id": "jvasp-112616",
"created_at": "2022-09-04T14:38:42.556145Z",
"updated_at": "2022-09-04T14:38:42.556172Z",
"structure_string": "Y4 Mn2 S8\n1.0\n6.451781 0.002372 0.000000\n-5.343949 3.614926 0.000000\n-0.000000 -0.000000 12.805370\nY Mn S\n4 2 8\ndirect\n0.382049 0.617952 0.785143 Y\n0.617951 0.382049 0.285143 Y\n0.138822 0.861180 0.582074 Y\n0.861179 0.138820 0.082074 Y\n0.126309 0.873692 0.946342 Mn\n0.873691 0.126308 0.446342 Mn\n0.792217 0.207782 0.635013 S\n0.207783 0.792218 0.135013 S\n0.488453 0.511547 0.995093 S\n0.511547 0.488453 0.495093 S\n0.759256 0.240743 0.894901 S\n0.240744 0.759257 0.394901 S\n0.039941 0.960060 0.769432 S\n0.960059 0.039940 0.269432 S\n",
"nsites": 14,
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],
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"density": 4.012276777470868,
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"volume": 298.8182611737366,
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"formula_full": "Y4 Mn2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 36
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{
"id": "jvasp-29747",
"created_at": "2022-09-04T14:37:06.226145Z",
"updated_at": "2022-09-04T14:37:06.226169Z",
"structure_string": "Ga2 Fe2 S5\n1.0\n3.615790 0.013274 14.715666\n1.792619 3.140164 14.715666\n0.022764 0.013274 15.153357\nGa Fe S\n2 2 5\ndirect\n0.725208 0.725204 0.725210 Ga\n0.274793 0.274792 0.274794 Ga\n0.136636 0.136635 0.136637 Fe\n0.863365 0.863361 0.863367 Fe\n0.631618 0.631615 0.631620 S\n0.225222 0.225221 0.225222 S\n0.368383 0.368381 0.368384 S\n0.774779 0.774775 0.774781 S\n0.500000 0.499998 0.500002 S\n",
"nsites": 9,
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"elements": [
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"volume": 170.28966901737823,
"volume_molar": 11.394537297738474,
"formula_full": "Ga2 Fe2 S5",
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},
{
"id": "jvasp-5809",
"created_at": "2022-09-04T14:37:58.229287Z",
"updated_at": "2022-09-04T14:37:58.229311Z",
"structure_string": "Mg2 P2 Se6\n1.0\n5.840011 -0.007249 5.011887\n2.298963 5.368481 5.011884\n-0.011002 -0.007243 7.695754\nMg P Se\n2 2 6\ndirect\n0.167995 0.167995 0.167995 Mg\n0.832005 0.832005 0.832004 Mg\n0.444447 0.444448 0.444447 P\n0.555552 0.555553 0.555552 P\n0.410285 0.748842 0.084450 Se\n0.084450 0.410285 0.748842 Se\n0.748842 0.084450 0.410285 Se\n0.589715 0.251158 0.915550 Se\n0.915550 0.589715 0.251158 Se\n0.251157 0.915550 0.589714 Se\n",
"nsites": 10,
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"density_atomic": 0.04135129333068698,
"volume": 241.8304046751291,
"volume_molar": 14.563367370013895,
"formula_full": "Mg2 P2 Se6",
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"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-16052",
"created_at": "2022-09-04T14:35:56.724515Z",
"updated_at": "2022-09-04T14:35:56.724541Z",
"structure_string": "Ca2 Cu2 P2\n1.0\n2.025521 -3.508305 0.000000\n2.025521 3.508305 -0.000000\n0.000000 0.000000 7.839244\nCa Cu P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n",
"nsites": 6,
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],
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"density_atomic": 0.05385338170475763,
"volume": 111.4136161939471,
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"formula_full": "Ca2 Cu2 P2",
"formula_reduced": "CaCuP",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-71844",
"created_at": "2022-09-04T14:36:02.671558Z",
"updated_at": "2022-09-04T14:36:02.671574Z",
"structure_string": "Be1 V1 P2\n1.0\n-1.689944 1.689944 4.416632\n1.689944 -1.689944 4.416632\n1.689944 1.689944 -4.416632\nBe V P\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 P\n0.250000 0.749999 0.499999 P\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.012003160985667,
"density_atomic": 0.07928009431955939,
"volume": 50.45402675578238,
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"formula_full": "Be1 V1 P2",
"formula_reduced": "BeVP2",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-101169",
"created_at": "2022-09-04T14:36:39.380669Z",
"updated_at": "2022-09-04T14:36:39.380686Z",
"structure_string": "Li2 Mg1 Zr1 O4\n1.0\n3.886947 -0.002479 -3.726791\n-0.709024 3.821734 -3.726791\n0.002063 0.002479 5.384917\nLi Mg Zr O\n2 1 1 4\ndirect\n0.500001 0.499999 0.000000 Li\n0.750000 0.250000 0.500001 Li\n0.250001 0.749999 0.500000 Mg\n0.000000 0.000000 0.000000 Zr\n0.767419 0.767417 0.000000 O\n0.012981 0.512980 0.500000 O\n0.487020 0.987018 0.500001 O\n0.232583 0.232582 0.000000 O\n",
"nsites": 8,
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"Mg",
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"O"
],
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"density": 4.011789626428991,
"density_atomic": 0.0999316962667109,
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"formula_full": "Li2 Mg1 Zr1 O4",
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{
"id": "jvasp-115406",
"created_at": "2022-09-04T14:38:44.415559Z",
"updated_at": "2022-09-04T14:38:44.415586Z",
"structure_string": "As1 N1 F2\n1.0\n3.225501 -0.000000 -0.000000\n0.000000 3.225501 0.000000\n0.000000 0.000000 5.050063\nAs N F\n1 1 2\ndirect\n0.500000 0.500000 0.741019 As\n0.000000 0.000000 0.739214 N\n0.000000 0.000000 0.439121 F\n0.500000 0.500000 0.090645 F\n",
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"elements": [
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"density_atomic": 0.07613227954049741,
"volume": 52.54013178302721,
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"formula_full": "As1 N1 F2",
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},
{
"id": "jvasp-45805",
"created_at": "2022-09-04T14:38:05.128865Z",
"updated_at": "2022-09-04T14:38:05.128890Z",
"structure_string": "Li8 Cr1 Fe3 O12\n1.0\n4.839255 -0.004218 -0.000412\n0.015366 4.840807 -0.000113\n0.000810 0.000096 8.253330\nLi Cr Fe O\n8 1 3 12\ndirect\n0.000000 0.499996 0.234002 Li\n0.999988 0.500002 0.923059 Li\n0.000002 -0.000005 0.251553 Li\n0.000001 0.000001 0.562484 Li\n0.499994 0.500000 0.068500 Li\n0.499996 0.500005 0.754019 Li\n0.499999 0.000000 0.418526 Li\n0.500005 0.000006 0.731867 Li\n0.000003 0.000001 0.898529 Cr\n0.499999 0.500001 0.401745 Fe\n0.500000 -0.000002 0.086660 Fe\n0.000001 0.500001 0.583453 Fe\n0.174797 0.713781 0.418515 O\n0.861141 0.252682 0.741877 O\n0.825205 0.286216 0.418514 O\n0.822386 0.214985 0.068655 O\n0.672078 0.782418 0.920096 O\n0.673777 0.715580 0.567620 O\n0.647987 0.750948 0.244262 O\n0.352015 0.249050 0.244262 O\n0.326227 0.284424 0.567618 O\n0.327924 0.217582 0.920098 O\n0.177618 0.785015 0.068653 O\n0.138860 0.747320 0.741877 O\n",
"nsites": 24,
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"density": 4.011322224188508,
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"formula_full": "Li8 Cr1 Fe3 O12",
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{
"id": "jvasp-37242",
"created_at": "2022-09-04T14:37:56.835576Z",
"updated_at": "2022-09-04T14:37:56.835601Z",
"structure_string": "Sm1 Mg2 Sc1\n1.0\n-0.000000 3.695983 3.695983\n3.695983 0.000000 3.695983\n3.695983 3.695983 0.000000\nSm Mg Sc\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Mg\n0.250000 0.250000 0.250000 Sc\n",
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}
]
}