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{
"id": "jvasp-88645",
"created_at": "2022-09-04T14:36:16.423631Z",
"updated_at": "2022-09-04T14:36:16.423652Z",
"structure_string": "Er4 V4 O12\n1.0\n5.221251 -0.000000 0.000000\n-0.000000 5.616129 0.000000\n0.000000 0.000000 7.570415\nEr V O\n4 4 12\ndirect\n0.521230 0.572736 0.250000 Er\n0.978770 0.072736 0.250000 Er\n0.478770 0.427264 0.750000 Er\n0.021230 0.927264 0.750000 Er\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.881483 0.544151 0.750000 O\n0.381483 0.955849 0.250000 O\n0.688420 0.305347 0.441100 O\n0.688420 0.305347 0.058901 O\n0.188420 0.194653 0.941100 O\n0.811580 0.805347 0.441100 O\n0.311580 0.694653 0.558901 O\n0.311580 0.694653 0.941100 O\n0.811580 0.805347 0.058901 O\n0.188420 0.194653 0.558901 O\n0.118517 0.455849 0.250000 O\n0.618517 0.044151 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:36:15.075341Z",
"structure_string": "Er4 Mn4 O12\n1.0\n5.229926 0.000000 0.000000\n-0.000000 5.644356 0.000000\n0.000000 0.000000 7.520106\nEr Mn O\n4 4 12\ndirect\n0.979401 0.077183 0.250000 Er\n0.520600 0.577183 0.250000 Er\n0.020599 0.922818 0.750000 Er\n0.479401 0.422818 0.750000 Er\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.884646 0.539036 0.750000 O\n0.384645 0.960965 0.250000 O\n0.693945 0.311329 0.442452 O\n0.693945 0.311329 0.057549 O\n0.193945 0.188672 0.942452 O\n0.806056 0.811329 0.442452 O\n0.306055 0.688672 0.557549 O\n0.306055 0.688672 0.942452 O\n0.806056 0.811329 0.057549 O\n0.193945 0.188672 0.557549 O\n0.115355 0.460965 0.250000 O\n0.615355 0.039036 0.750000 O\n",
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{
"id": "jvasp-109503",
"created_at": "2022-09-04T14:38:27.602416Z",
"updated_at": "2022-09-04T14:38:27.602436Z",
"structure_string": "Ba3 Na1\n1.0\n5.401072 -0.042741 -5.422711\n-0.951327 5.316802 -5.422711\n0.036061 0.042741 7.653501\nBa Na\n3 1\ndirect\n0.749999 0.250000 0.500000 Ba\n0.249999 0.750000 0.499999 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Na\n",
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"density": 3.2536811679405893,
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{
"id": "jvasp-9679",
"created_at": "2022-09-04T14:38:09.666516Z",
"updated_at": "2022-09-04T14:38:09.666537Z",
"structure_string": "Th2 Ti4 O12\n1.0\n4.942214 -0.006617 1.746992\n1.903739 6.477283 1.569834\n-0.000153 -0.004930 6.931362\nTh Ti O\n2 4 12\ndirect\n0.750000 0.187614 0.812385 Th\n0.250000 0.812385 0.187614 Th\n0.937848 0.352290 0.188888 Ti\n0.562152 0.811111 0.647709 Ti\n0.062152 0.647709 0.811111 Ti\n0.437848 0.188888 0.352290 Ti\n0.971020 0.729587 0.547828 O\n0.528980 0.452171 0.270412 O\n0.156229 0.904114 0.823068 O\n0.469322 0.881636 0.397712 O\n0.656229 0.823068 0.904114 O\n0.471020 0.547828 0.729587 O\n0.028981 0.270412 0.452171 O\n0.969322 0.397712 0.881637 O\n0.530679 0.118363 0.602287 O\n0.030679 0.602287 0.118363 O\n0.843771 0.095885 0.176931 O\n0.343771 0.176931 0.095885 O\n",
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{
"id": "jvasp-10636",
"created_at": "2022-09-04T14:37:28.371484Z",
"updated_at": "2022-09-04T14:37:28.371500Z",
"structure_string": "Sb4 O8\n1.0\n7.120145 -0.357803 -0.253004\n3.250207 5.629524 0.000000\n3.250208 1.876508 5.307566\nSb O\n4 8\ndirect\n0.291450 0.236184 0.236184 Sb\n0.633398 0.108557 0.629023 Sb\n0.633399 0.629022 0.108556 Sb\n0.633399 0.629022 0.629023 Sb\n0.446580 0.351134 0.351135 O\n0.446580 0.351134 0.851151 O\n0.446580 0.851150 0.351135 O\n0.778863 0.407046 0.407046 O\n0.437166 0.854277 0.854278 O\n0.794979 0.433824 0.885600 O\n0.794980 0.885599 0.433824 O\n0.794980 0.885599 0.885600 O\n",
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"formula_full": "Sb4 O8",
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"spacegroup": 160
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{
"id": "jvasp-87874",
"created_at": "2022-09-04T14:35:54.245133Z",
"updated_at": "2022-09-04T14:35:54.245143Z",
"structure_string": "Na1 Zr2 Ti1 F11\n1.0\n5.365721 0.010567 2.038666\n1.007227 5.270347 2.038666\n0.001259 0.001043 7.854119\nNa Zr Ti F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.503148 0.503148 0.766542 Zr\n0.496852 0.496853 0.233458 Zr\n0.000000 -0.000000 0.500000 Ti\n0.808615 0.216991 0.690446 F\n0.783009 0.191385 0.309554 F\n0.191385 0.783009 0.309554 F\n0.216992 0.808615 0.690446 F\n0.500000 0.500000 0.500000 F\n0.328505 0.671496 0.000000 F\n0.671495 0.328505 0.000000 F\n0.247652 0.247652 0.356407 F\n0.752348 0.752348 0.643593 F\n0.263686 0.263685 0.892056 F\n0.736315 0.736316 0.107945 F\n",
"nsites": 15,
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{
"id": "jvasp-42991",
"created_at": "2022-09-04T14:38:10.146805Z",
"updated_at": "2022-09-04T14:38:10.146833Z",
"structure_string": "Li4 Mn4 Cu2 O12\n1.0\n5.069466 -0.054229 -0.000000\n-2.594473 4.355585 0.000000\n0.000000 0.000000 10.119260\nLi Mn Cu O\n4 4 2 12\ndirect\n0.177006 0.677006 0.750000 Li\n0.322996 0.822996 0.250000 Li\n0.677006 0.177005 0.750000 Li\n0.822996 0.322995 0.250000 Li\n0.163544 0.836458 0.500000 Mn\n0.336457 0.663544 0.000000 Mn\n0.663544 0.336456 0.000000 Mn\n0.836458 0.163543 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.506229 0.131558 0.392711 O\n0.840101 0.840100 0.405131 O\n0.368444 0.993772 0.892711 O\n0.659902 0.659901 0.905131 O\n0.340100 0.340100 0.094869 O\n0.006229 0.631558 0.107289 O\n0.493773 0.868443 0.607289 O\n0.131558 0.506229 0.392711 O\n0.993773 0.368442 0.892711 O\n0.868443 0.493772 0.607289 O\n0.159901 0.159901 0.594869 O\n0.631558 0.006228 0.107289 O\n",
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"formula_full": "Li4 Mn4 Cu2 O12",
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{
"id": "jvasp-21258",
"created_at": "2022-09-04T14:38:10.358401Z",
"updated_at": "2022-09-04T14:38:10.358429Z",
"structure_string": "Li4 Sb4 O12\n1.0\n4.902322 0.000000 0.000000\n0.000000 5.246696 0.000000\n0.000000 0.000000 8.632335\nLi Sb O\n4 4 12\ndirect\n0.000000 0.750001 0.691571 Li\n0.500000 0.750001 0.808430 Li\n0.000000 0.250000 0.308429 Li\n0.500000 0.250000 0.191571 Li\n0.000000 0.750001 0.094757 Sb\n0.500000 0.250000 0.594757 Sb\n0.000000 0.250000 0.905244 Sb\n0.500000 0.750001 0.405244 Sb\n0.289742 0.424198 0.419020 O\n0.210258 0.424198 0.080981 O\n0.750000 0.086230 0.750000 O\n0.789742 0.075802 0.080981 O\n0.250000 0.913771 0.250000 O\n0.789742 0.575803 0.919020 O\n0.250000 0.413770 0.750000 O\n0.289742 0.924198 0.580981 O\n0.710258 0.075802 0.419020 O\n0.710258 0.575803 0.580981 O\n0.750000 0.586230 0.250000 O\n0.210258 0.924198 0.919020 O\n",
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{
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"structure_string": "Lu6 Fe1 Sb2\n1.0\n3.984916 -6.902078 -0.000000\n3.984916 6.902078 -0.000000\n-0.000000 0.000000 4.036737\nLu Fe Sb\n6 1 2\ndirect\n0.232836 0.232836 0.000000 Lu\n0.767165 0.000000 0.000000 Lu\n0.000000 0.767165 0.000000 Lu\n0.000000 0.389000 0.500000 Lu\n0.389000 0.000000 0.500000 Lu\n0.611001 0.611001 0.500000 Lu\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666668 0.000000 Sb\n0.666668 0.333333 0.000000 Sb\n",
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{
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"structure_string": "Li3 Co1 N6 O12\n1.0\n6.219498 -0.240887 -0.187916\n1.772131 5.966552 -0.187916\n1.772131 1.269658 5.832925\nLi Co N O\n3 1 6 12\ndirect\n0.266852 0.266852 0.266852 Li\n0.500000 0.500000 0.500000 Li\n0.733149 0.733148 0.733148 Li\n0.000000 0.000000 0.000000 Co\n0.206229 0.206229 0.833210 N\n0.206229 0.833209 0.206229 N\n0.166790 0.793771 0.793771 N\n0.833210 0.206229 0.206229 N\n0.793771 0.166790 0.793771 N\n0.793771 0.793770 0.166790 N\n0.935275 0.296520 0.296519 O\n0.703480 0.064725 0.703480 O\n0.703481 0.703480 0.064724 O\n0.378176 0.750632 0.750632 O\n0.621824 0.249367 0.249367 O\n0.249367 0.249367 0.621824 O\n0.296520 0.935275 0.296519 O\n0.064725 0.703480 0.703480 O\n0.249368 0.621824 0.249367 O\n0.750633 0.750632 0.378176 O\n0.296520 0.296520 0.935275 O\n0.750633 0.378176 0.750632 O\n",
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{
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"structure_string": "Ba4 Fe1 Ni1\n1.0\n0.000000 4.806787 4.806787\n4.806787 0.000000 4.806787\n4.806787 4.806787 -0.000000\nBa Fe Ni\n4 1 1\ndirect\n0.124930 0.625024 0.625024 Ba\n0.625024 0.625024 0.625024 Ba\n0.625024 0.124930 0.625024 Ba\n0.625024 0.625024 0.124930 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ni\n",
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]
}