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{
"id": "jvasp-96845",
"created_at": "2022-09-04T14:36:34.259914Z",
"updated_at": "2022-09-04T14:36:34.259939Z",
"structure_string": "Sr5 Mn5 O13\n1.0\n3.843947 0.000000 -0.000000\n-0.000000 8.622327 -0.000000\n-0.000000 0.000000 8.622327\nSr Mn O\n5 5 13\ndirect\n0.500000 0.283018 0.112701 Sr\n0.500000 0.887299 0.283018 Sr\n0.500000 0.112701 0.716982 Sr\n0.500000 0.716982 0.887299 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.196849 0.399240 Mn\n0.000000 0.803151 0.600760 Mn\n0.000000 0.600760 0.196849 Mn\n0.000000 0.399240 0.803151 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.923279 0.789935 O\n0.500000 0.584528 0.165430 O\n0.500000 0.415473 0.834571 O\n0.500000 0.165430 0.415473 O\n0.000000 0.210066 0.923279 O\n0.000000 0.789935 0.076721 O\n0.000000 0.598878 0.710346 O\n0.000000 0.076721 0.210066 O\n0.500000 0.834571 0.584528 O\n0.500000 0.000000 0.000000 O\n0.000000 0.710346 0.401123 O\n0.000000 0.289654 0.598878 O\n0.000000 0.401123 0.289654 O\n",
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{
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"structure_string": "Ti1 Be2 Pt1\n1.0\n3.691939 0.000000 0.000000\n0.000000 3.691939 0.000000\n0.000000 -0.000000 3.646426\nTi Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.500001 Ti\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500001 Pt\n",
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},
{
"id": "jvasp-11349",
"created_at": "2022-09-04T14:37:17.068724Z",
"updated_at": "2022-09-04T14:37:17.068743Z",
"structure_string": "Ti4 Zn2 O10\n1.0\n3.329196 0.000000 0.000000\n0.000000 4.817294 0.000000\n0.000000 0.000000 12.396709\nTi Zn O\n4 2 10\ndirect\n0.000000 0.547015 0.357042 Ti\n0.500001 0.452984 0.142958 Ti\n0.500001 0.452984 0.857042 Ti\n0.000000 0.547015 0.642958 Ti\n0.500001 0.045624 0.500000 Zn\n0.000000 0.954375 0.000000 Zn\n0.500001 0.610517 0.000000 O\n0.000000 0.389483 0.500000 O\n0.500001 0.399717 0.315841 O\n0.000000 0.600283 0.184159 O\n0.500001 0.399717 0.684159 O\n0.000000 0.600283 0.815841 O\n0.000000 0.899851 0.604757 O\n0.500001 0.100148 0.895243 O\n0.500001 0.100148 0.104757 O\n0.000000 0.899851 0.395243 O\n",
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{
"id": "jvasp-14064",
"created_at": "2022-09-04T14:37:39.561395Z",
"updated_at": "2022-09-04T14:37:39.561430Z",
"structure_string": "Y2 Ni8 B2\n1.0\n2.486240 -4.306294 0.000000\n2.486240 4.306294 -0.000000\n0.000000 0.000000 6.963903\nY Ni B\n2 8 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.500000 0.708538 Ni\n0.500000 0.000000 0.708538 Ni\n0.000000 0.500000 0.708538 Ni\n0.500000 0.500000 0.291462 Ni\n0.500000 0.000000 0.291462 Ni\n0.000000 0.500000 0.291462 Ni\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
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},
{
"id": "jvasp-117088",
"created_at": "2022-09-04T14:38:46.531452Z",
"updated_at": "2022-09-04T14:38:46.531474Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n6.045864 0.000039 0.000117\n-0.000181 6.761349 -3.412003\n-0.000034 0.043316 8.490025\nLi Mn P O\n4 4 4 16\ndirect\n0.766607 0.259315 0.518604 Li\n0.266597 0.259369 0.518609 Li\n0.266597 0.740636 0.481398 Li\n0.766607 0.740683 0.481393 Li\n0.016605 0.315102 0.199959 Mn\n0.016581 0.684899 0.800043 Mn\n0.516610 0.115143 0.799979 Mn\n0.516591 0.884858 0.200023 Mn\n0.016649 0.917691 0.253545 P\n0.516651 0.335820 0.253502 P\n0.516641 0.664180 0.746500 P\n0.016657 0.082310 0.746456 P\n0.016604 0.150807 0.346868 O\n0.516600 0.196035 0.346844 O\n0.228781 0.847192 0.312675 O\n0.728802 0.465428 0.312633 O\n0.728780 0.534565 0.687360 O\n0.228801 0.152806 0.687330 O\n0.804464 0.847140 0.312570 O\n0.516774 0.211137 0.054962 O\n0.304447 0.534624 0.687465 O\n0.804484 0.152861 0.687425 O\n0.016796 0.843880 0.055006 O\n0.516789 0.788866 0.945041 O\n0.016600 0.849194 0.653134 O\n0.016784 0.156124 0.944995 O\n0.304469 0.465384 0.312547 O\n0.516600 0.803966 0.653157 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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"spacegroup": 66
},
{
"id": "jvasp-48458",
"created_at": "2022-09-04T14:36:21.253831Z",
"updated_at": "2022-09-04T14:36:21.253861Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 5.804903 -0.010893\n4.791449 0.000000 0.000000\n0.000000 -0.283571 -8.041623\nMn O F\n6 2 10\ndirect\n0.410142 0.471711 0.668240 Mn\n0.745848 0.517985 0.015828 Mn\n0.064633 0.518021 0.327104 Mn\n0.935367 0.018021 0.672896 Mn\n0.589857 0.971711 0.331759 Mn\n0.254152 0.017984 0.984171 Mn\n0.220496 0.193607 0.771777 O\n0.779504 0.693607 0.228222 O\n0.281925 0.812302 0.214473 F\n0.445917 0.702331 0.898158 F\n0.126885 0.695834 0.562128 F\n0.375412 0.292230 0.423942 F\n0.554083 0.202331 0.101841 F\n0.718075 0.312302 0.785526 F\n0.873115 0.195834 0.437871 F\n0.944728 0.795981 0.900905 F\n0.055272 0.295981 0.099094 F\n0.624587 0.792230 0.576057 F\n",
"nsites": 18,
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"elements": [
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"chemical_system": "F-Mn-O",
"density": 4.0949425473867676,
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"volume": 223.68367171007435,
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"formula_full": "Mn6 O2 F10",
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"spacegroup": 4
},
{
"id": "jvasp-16820",
"created_at": "2022-09-04T14:38:29.942446Z",
"updated_at": "2022-09-04T14:38:29.942475Z",
"structure_string": "Tb1 B2 Rh2 C1\n1.0\n3.594866 0.000000 -1.236577\n-0.425363 3.569611 -1.236577\n-0.008990 -0.010125 5.817487\nTb B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.355836 0.355834 0.711671 B\n0.644166 0.644164 0.288329 B\n0.750001 0.249999 0.500000 Rh\n0.250001 0.749999 0.500000 Rh\n0.500001 0.500000 -0.000000 C\n",
"nsites": 6,
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],
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"volume": 74.56156522981253,
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},
{
"id": "jvasp-30791",
"created_at": "2022-09-04T14:38:40.415401Z",
"updated_at": "2022-09-04T14:38:40.415430Z",
"structure_string": "Mo12 O28\n1.0\n5.728480 0.000000 0.000000\n0.000000 11.443855 0.000000\n0.000000 0.000000 7.582662\nMo O\n12 28\ndirect\n0.249964 0.011681 0.249998 Mo\n0.750036 0.988319 0.750002 Mo\n0.250036 0.011681 0.749998 Mo\n0.249964 0.488319 0.249998 Mo\n0.250033 0.750000 0.750004 Mo\n0.750033 0.250000 0.749996 Mo\n0.749964 0.511681 0.250002 Mo\n0.249967 0.750000 0.250004 Mo\n0.250036 0.488319 0.749998 Mo\n0.750036 0.511681 0.750002 Mo\n0.749964 0.988319 0.250002 Mo\n0.749967 0.250000 0.249996 Mo\n0.750069 0.250000 0.499993 O\n0.003743 0.627699 0.750034 O\n0.249931 0.750000 0.500006 O\n0.749931 0.250000 0.999993 O\n0.250069 0.750000 0.000007 O\n0.249969 0.492899 0.499997 O\n0.750031 0.507101 0.500003 O\n0.749969 0.992898 0.000003 O\n0.249969 0.007101 0.499997 O\n0.749969 0.507101 0.000003 O\n0.503743 0.372301 0.749965 O\n0.250031 0.492899 -0.000003 O\n0.996257 0.127699 0.249966 O\n0.496329 0.627701 0.749972 O\n0.996257 0.372301 0.249966 O\n0.496257 0.627699 0.250034 O\n0.003743 0.872301 0.750034 O\n0.503743 0.127699 0.749965 O\n0.250031 0.007101 -0.000003 O\n0.996329 0.372299 0.750028 O\n0.503671 0.127701 0.250028 O\n0.003671 0.872298 0.249972 O\n0.503671 0.372299 0.250028 O\n0.003671 0.627701 0.249972 O\n0.496329 0.872298 0.749972 O\n0.996329 0.127701 0.750028 O\n0.496257 0.872301 0.250034 O\n0.750031 0.992898 0.500003 O\n",
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"spacegroup": 65
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{
"id": "jvasp-10156",
"created_at": "2022-09-04T14:37:09.797110Z",
"updated_at": "2022-09-04T14:37:09.797121Z",
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{
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"created_at": "2022-09-04T14:35:48.205123Z",
"updated_at": "2022-09-04T14:35:48.205152Z",
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{
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"structure_string": "Sb2 F8\n1.0\n4.432894 -0.233559 -2.635593\n-0.771175 4.814053 -1.698002\n-0.669478 0.487595 6.067112\nSb F\n2 8\ndirect\n-0.001754 0.498972 -0.001308 Sb\n0.498228 -0.001286 -0.001144 Sb\n0.007305 0.266852 0.230044 F\n0.535450 0.277576 0.767442 F\n0.123662 0.592624 0.763860 F\n-0.017533 0.138699 0.754558 F\n0.326007 0.858623 0.233703 F\n0.460491 0.402500 0.229527 F\n0.881086 0.726710 0.242699 F\n0.671704 0.731362 0.768089 F\n",
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{
"id": "jvasp-12985",
"created_at": "2022-09-04T14:36:57.941294Z",
"updated_at": "2022-09-04T14:36:57.941317Z",
"structure_string": "Al4 Fe6 Si6\n1.0\n4.628344 -0.001163 -0.000435\n-1.172537 6.233632 -0.005873\n-2.165146 -1.979078 6.894743\nAl Fe Si\n4 6 6\ndirect\n0.414374 0.675499 0.053410 Al\n0.950099 0.357749 0.728839 Al\n0.049900 0.642251 0.271162 Al\n0.585624 0.324501 0.946590 Al\n0.634508 0.972918 0.767174 Fe\n0.365490 0.027082 0.232827 Fe\n0.863685 0.681846 0.943835 Fe\n0.136313 0.318154 0.056166 Fe\n0.958887 0.707425 0.582662 Fe\n0.041111 0.292575 0.417339 Fe\n0.542235 0.411629 0.347508 Si\n0.274551 0.040052 0.531087 Si\n0.457763 0.588371 0.652492 Si\n0.822919 0.024854 0.114270 Si\n0.177079 0.975146 0.885731 Si\n0.725447 0.959948 0.468914 Si\n",
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]
}