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{
"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",
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"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",
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{
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"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",
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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",
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{
"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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"density": 4.012276777470868,
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"formula_full": "Y4 Mn2 S8",
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{
"id": "jvasp-48956",
"created_at": "2022-09-04T14:35:44.592873Z",
"updated_at": "2022-09-04T14:35:44.592900Z",
"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",
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"density": 4.012340658030526,
"density_atomic": 0.09620042163327489,
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"formula_full": "Li2 V4 O6 F2",
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{
"id": "jvasp-22700",
"created_at": "2022-09-04T14:38:13.160982Z",
"updated_at": "2022-09-04T14:38:13.161015Z",
"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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},
{
"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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"density": 4.012510236107099,
"density_atomic": 0.05050642563097404,
"volume": 178.195148192799,
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"formula_full": "Zn2 Ga2 S5",
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{
"id": "jvasp-103172",
"created_at": "2022-09-04T14:36:45.234775Z",
"updated_at": "2022-09-04T14:36:45.234789Z",
"structure_string": "K2 In1 Ga1 I6\n1.0\n7.301803 -0.000000 4.215698\n2.433935 6.884206 4.215698\n-0.000000 -0.000000 8.431396\nK In Ga I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.747087 0.252912 0.252913 I\n0.252912 0.252912 0.747088 I\n0.252911 0.747088 0.747089 I\n0.252911 0.747088 0.252913 I\n0.747087 0.252912 0.747089 I\n0.747087 0.747088 0.252913 I\n",
"nsites": 10,
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"density_atomic": 0.023594813201940772,
"volume": 423.8219609713824,
"volume_molar": 25.523155061488914,
"formula_full": "K2 In1 Ga1 I6",
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:37:59.564692Z",
"updated_at": "2022-09-04T14:37:59.564711Z",
"structure_string": "Ba6 N2\n1.0\n3.800257 -6.582238 0.000000\n3.800257 6.582238 0.000000\n-0.000000 -0.000000 7.047093\nBa N\n6 2\ndirect\n0.000000 0.723818 0.750000 Ba\n0.000000 0.276182 0.250000 Ba\n0.723819 0.723819 0.250000 Ba\n0.723818 0.000000 0.750000 Ba\n0.276182 0.276182 0.750000 Ba\n0.276182 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-117814",
"created_at": "2022-09-04T14:38:51.621539Z",
"updated_at": "2022-09-04T14:38:51.621568Z",
"structure_string": "Rb1 In1 Br3\n1.0\n5.667795 0.000000 -0.000000\n0.000000 5.667795 -0.000000\n0.000000 0.000000 5.667795\nRb In Br\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:17.091990Z",
"updated_at": "2022-09-04T14:38:17.092018Z",
"structure_string": "Sn4 P4 O12 F4\n1.0\n4.690486 0.054851 0.000000\n-0.944712 6.079343 0.000000\n0.000000 0.000000 12.554218\nSn P O F\n4 4 12 4\ndirect\n0.963468 0.731334 0.374299 Sn\n0.036533 0.268665 0.625701 Sn\n0.963468 0.231334 0.125701 Sn\n0.036533 0.768665 0.874299 Sn\n0.603647 0.163821 0.851854 P\n0.396354 0.336179 0.351853 P\n0.396354 0.836179 0.148147 P\n0.603647 0.663820 0.648147 P\n0.237562 0.477533 0.425149 O\n0.794823 0.802277 0.727658 O\n0.762439 0.522467 0.574851 O\n0.794823 0.302278 0.772343 O\n0.323680 0.046368 0.803914 O\n0.676321 0.453632 0.303914 O\n0.205178 0.197722 0.272343 O\n0.205178 0.697722 0.227658 O\n0.762439 0.022467 0.925149 O\n0.237562 0.977532 0.074851 O\n0.323680 0.546368 0.696087 O\n0.676321 0.953632 0.196086 O\n0.496278 0.156421 0.429724 F\n0.503723 0.843578 0.570277 F\n0.503723 0.343579 0.929724 F\n0.496278 0.656421 0.070276 F\n",
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