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{
"id": "jvasp-42262",
"created_at": "2022-09-04T14:35:58.614131Z",
"updated_at": "2022-09-04T14:35:58.614164Z",
"structure_string": "Li4 V3 Fe1 O10\n1.0\n6.611105 0.000000 0.000000\n0.000000 6.611105 0.000000\n0.000000 -0.000000 4.535157\nLi V Fe O\n4 3 1 10\ndirect\n0.759481 0.759481 0.000000 Li\n0.759481 0.240519 0.000000 Li\n0.240519 0.240519 0.000000 Li\n0.240519 0.759481 0.000000 Li\n0.000000 0.500000 0.612789 V\n0.500000 0.000000 0.387212 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 Fe\n0.500000 0.287863 0.267332 O\n0.500000 0.712138 0.267332 O\n0.287863 0.500000 0.732669 O\n0.231067 0.000000 0.255986 O\n0.768933 0.000000 0.255986 O\n0.000000 0.231067 0.744015 O\n0.000000 0.500000 0.244544 O\n0.500000 0.000000 0.755456 O\n0.000000 0.768933 0.744015 O\n0.712138 0.500000 0.732669 O\n",
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{
"id": "jvasp-107810",
"created_at": "2022-09-04T14:36:34.991869Z",
"updated_at": "2022-09-04T14:36:34.991900Z",
"structure_string": "K2 Na1 Nd1 F6\n1.0\n5.485666 -0.000000 3.167151\n1.828555 5.171936 3.167151\n-0.000000 -0.000000 6.334302\nK Na Nd F\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.747742 0.252259 0.252258 F\n0.252259 0.252259 0.747740 F\n0.252260 0.747742 0.747740 F\n0.252260 0.747742 0.252258 F\n0.747742 0.252259 0.747740 F\n0.747742 0.747742 0.252258 F\n",
"nsites": 10,
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"density_atomic": 0.05564404983931246,
"volume": 179.71373451209533,
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"formula_full": "K2 Na1 Nd1 F6",
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{
"id": "jvasp-115439",
"created_at": "2022-09-04T14:38:43.848294Z",
"updated_at": "2022-09-04T14:38:43.848320Z",
"structure_string": "Rb1 As1 Se1\n1.0\n3.749305 0.000000 0.000000\n-0.000000 3.749305 -0.000000\n0.000000 0.000000 8.514054\nRb As Se\n1 1 1\ndirect\n0.000000 0.000000 0.639409 Rb\n0.000000 0.000000 0.264286 As\n0.000000 0.000000 0.004995 Se\n",
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"density_atomic": 0.025065900554227964,
"volume": 119.68450898102594,
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"formula_full": "Rb1 As1 Se1",
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},
{
"id": "jvasp-117436",
"created_at": "2022-09-04T14:38:27.447957Z",
"updated_at": "2022-09-04T14:38:27.447978Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n4.787645 -0.000019 -0.000246\n0.000048 9.619629 -0.000342\n0.000360 0.000241 6.975047\nLi Ni P O\n4 4 4 16\ndirect\n0.240329 0.173408 0.987663 Li\n0.740330 0.326592 0.487663 Li\n0.240329 0.673408 0.512338 Li\n0.740331 0.826592 0.012336 Li\n0.721076 0.372612 0.985787 Ni\n0.221076 0.627388 0.014213 Ni\n0.221074 0.127389 0.485788 Ni\n0.721074 0.872612 0.514212 Ni\n0.255216 0.906866 0.240157 P\n0.755217 0.593134 0.740156 P\n0.255216 0.406866 0.259844 P\n0.755215 0.093133 0.759844 P\n0.129465 0.324286 0.427884 O\n0.629466 0.175714 0.927883 O\n0.129574 0.867506 0.442562 O\n0.629574 0.632495 0.942561 O\n0.129572 0.367504 0.057439 O\n0.629573 0.132495 0.557438 O\n0.572027 0.874472 0.251596 O\n0.698167 0.435446 0.715117 O\n0.572028 0.374472 0.248403 O\n0.072026 0.125528 0.748404 O\n0.698167 0.935446 0.784883 O\n0.198167 0.564554 0.284884 O\n0.629467 0.675714 0.572116 O\n0.198165 0.064554 0.215116 O\n0.072027 0.625528 0.751598 O\n0.129466 0.824285 0.072117 O\n",
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"formula_full": "Li4 Ni4 P4 O16",
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{
"id": "jvasp-8382",
"created_at": "2022-09-04T14:37:06.488808Z",
"updated_at": "2022-09-04T14:37:06.488835Z",
"structure_string": "Y1 Cr1 F5\n1.0\n3.936377 -0.000000 1.447567\n1.636167 5.261440 1.626654\n0.122144 0.017622 5.743741\nY Cr F\n1 1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cr\n0.500001 0.819089 0.180910 F\n0.500000 0.180910 0.819090 F\n0.766414 0.233586 0.233587 F\n0.233587 0.766413 0.766413 F\n0.000000 0.500000 0.500000 F\n",
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"elements": [
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"density_atomic": 0.059343506801765054,
"volume": 117.95730278264915,
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"formula_full": "Y1 Cr1 F5",
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},
{
"id": "jvasp-106448",
"created_at": "2022-09-04T14:38:45.792149Z",
"updated_at": "2022-09-04T14:38:45.792169Z",
"structure_string": "Rb2 Ce1 Ag1 Cl6\n1.0\n6.620291 -0.000000 3.822227\n2.206764 6.241670 3.822227\n-0.000000 -0.000000 7.644454\nRb Ce Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.751757 0.248243 0.248243 Cl\n0.248243 0.248243 0.751757 Cl\n0.248243 0.751757 0.751757 Cl\n0.248243 0.751757 0.248244 Cl\n0.751757 0.248243 0.751757 Cl\n0.751756 0.751757 0.248244 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.031657429263424575,
"volume": 315.8816187122782,
"volume_molar": 19.022835713819894,
"formula_full": "Rb2 Ce1 Ag1 Cl6",
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},
{
"id": "jvasp-97999",
"created_at": "2022-09-04T14:35:58.710572Z",
"updated_at": "2022-09-04T14:35:58.710589Z",
"structure_string": "Li2 V2 Si4 O12\n1.0\n5.130725 0.002956 1.367391\n1.528511 6.287573 0.768923\n0.000478 0.035224 6.516132\nLi V Si O\n2 2 4 12\ndirect\n0.749998 0.263330 0.736662 Li\n0.249999 0.736662 0.263330 Li\n0.750005 0.910091 0.089913 V\n0.250003 0.089913 0.910091 V\n0.770003 0.794483 0.609625 Si\n0.229991 0.205516 0.390376 Si\n0.270002 0.609625 0.794482 Si\n0.729991 0.390378 0.205517 Si\n0.063219 0.648876 0.637480 O\n0.563219 0.637480 0.648875 O\n0.936754 0.351105 0.362540 O\n0.171952 0.107681 0.632410 O\n0.845743 0.207662 0.027866 O\n0.154259 0.792338 0.972136 O\n0.328073 0.367588 0.892311 O\n0.828075 0.892312 0.367588 O\n0.671953 0.632411 0.107682 O\n0.345746 0.027866 0.207659 O\n0.436755 0.362540 0.351106 O\n0.654258 0.972135 0.792339 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.09518811051058626,
"volume": 210.11027420042882,
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"formula_full": "Li2 V2 Si4 O12",
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},
{
"id": "jvasp-118799",
"created_at": "2022-09-04T14:38:50.202520Z",
"updated_at": "2022-09-04T14:38:50.202547Z",
"structure_string": "Na2 Se2\n1.0\n4.162598 -0.000000 0.000000\n0.000000 4.162598 0.000000\n0.000000 0.000000 5.885715\nNa Se\n2 2\ndirect\n0.000000 0.000000 0.250427 Na\n0.500001 0.500001 0.749574 Na\n0.000000 0.000000 0.750519 Se\n0.500001 0.500001 0.249481 Se\n",
"nsites": 4,
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"volume": 101.98309107882793,
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},
{
"id": "jvasp-46819",
"created_at": "2022-09-04T14:38:05.761484Z",
"updated_at": "2022-09-04T14:38:05.761514Z",
"structure_string": "Na4 P2 Ru2 C2 O14\n1.0\n0.000000 5.146624 0.027932\n6.513640 0.000000 0.000000\n0.000000 -0.234163 -9.015051\nNa P Ru C O\n4 2 2 2 14\ndirect\n0.758910 0.989593 0.239895 Na\n0.758910 0.510407 0.239895 Na\n0.241090 0.489593 0.760105 Na\n0.241090 0.010407 0.760105 Na\n0.290520 0.750000 0.417612 P\n0.709480 0.250000 0.582388 P\n0.211373 0.250000 0.343610 Ru\n0.788627 0.750000 0.656390 Ru\n0.289161 0.250000 0.071503 C\n0.710839 0.750000 0.928497 C\n0.522916 0.750000 0.823475 O\n0.797989 0.061271 0.676223 O\n0.797989 0.438729 0.676223 O\n0.160378 0.750000 0.569875 O\n0.407866 0.250000 0.559248 O\n0.592134 0.750000 0.440752 O\n0.058061 0.250000 0.130892 O\n0.202011 0.561271 0.323777 O\n0.202011 0.938729 0.323777 O\n0.477084 0.250000 0.176525 O\n0.941939 0.750000 0.869108 O\n0.670862 0.750000 0.063673 O\n0.839622 0.250000 0.430125 O\n0.329138 0.250000 0.936327 O\n",
"nsites": 24,
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{
"id": "jvasp-47902",
"created_at": "2022-09-04T14:37:12.481711Z",
"updated_at": "2022-09-04T14:37:12.481735Z",
"structure_string": "Li2 Mn2 F6\n1.0\n5.335064 -0.000000 -0.000000\n-2.667531 1.540100 4.824942\n2.667531 -4.620300 -0.000000\nLi Mn F\n2 2 6\ndirect\n0.250000 0.750000 0.250000 Li\n0.749999 0.250000 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.092530 0.250000 0.407470 F\n0.592529 0.750000 0.250000 F\n0.250000 0.750000 0.907470 F\n0.749999 0.250000 0.092530 F\n0.407470 0.250000 0.750000 F\n0.907470 0.750000 0.592530 F\n",
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},
{
"id": "jvasp-119690",
"created_at": "2022-09-04T14:38:52.216749Z",
"updated_at": "2022-09-04T14:38:52.216778Z",
"structure_string": "Li8 Cr4 O8\n1.0\n3.481875 0.123466 -0.697767\n1.414856 9.776639 1.572172\n-0.003302 0.015627 5.787218\nLi Cr O\n8 4 8\ndirect\n0.807113 0.740342 0.894422 Li\n0.307127 0.990336 0.644448 Li\n0.807137 0.240341 0.394422 Li\n0.307145 0.490338 0.144446 Li\n0.192856 0.759663 0.605552 Li\n0.692868 0.009660 0.355576 Li\n0.192877 0.259665 0.105554 Li\n0.692890 0.509660 0.855580 Li\n0.500021 0.250002 0.749995 Cr\n-0.000024 0.000001 0.000002 Cr\n0.500008 0.750000 0.249990 Cr\n0.000000 0.499998 0.500012 Cr\n0.732507 0.666012 0.597517 O\n0.232521 0.916009 0.347527 O\n0.732524 0.166013 0.097522 O\n0.232540 0.416014 0.847527 O\n0.267462 0.833988 0.902476 O\n0.767483 0.083987 0.652480 O\n0.267483 0.333992 0.402472 O\n0.767492 0.583991 0.152481 O\n",
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],
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"formula_full": "Li8 Cr4 O8",
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},
{
"id": "jvasp-117280",
"created_at": "2022-09-04T14:38:49.542541Z",
"updated_at": "2022-09-04T14:38:49.542566Z",
"structure_string": "Li8 Cr4 O8\n1.0\n5.468772 0.166204 0.000019\n1.464047 6.344712 0.000015\n-0.000020 -0.000009 5.684857\nLi Cr O\n8 4 8\ndirect\n0.634730 0.326527 0.499998 Li\n0.634731 0.826526 0.750000 Li\n0.634730 0.326527 -0.000003 Li\n0.634731 0.826526 0.250000 Li\n0.365271 0.673472 0.499997 Li\n0.365270 0.173473 0.750000 Li\n0.365271 0.673472 -0.000003 Li\n0.365270 0.173473 0.250000 Li\n0.000000 -0.000000 -0.000029 Cr\n0.000000 0.500000 0.750031 Cr\n0.000000 -0.000000 0.499971 Cr\n0.000000 0.500000 0.250030 Cr\n0.263506 0.400447 0.500023 O\n0.263508 0.900447 0.749978 O\n0.263506 0.400448 0.000023 O\n0.263508 0.900447 0.249978 O\n0.736495 0.599551 0.500023 O\n0.736492 0.099552 0.749979 O\n0.736495 0.599551 0.000023 O\n0.736492 0.099552 0.249979 O\n",
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}
]
}