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{
"id": "jvasp-9290",
"created_at": "2022-09-04T14:37:28.779308Z",
"updated_at": "2022-09-04T14:37:28.779318Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n6.045832 -0.000000 -3.174139\n-1.666463 5.811626 -3.174139\n0.395010 0.524197 8.097248\nCa Mn S\n2 4 8\ndirect\n0.375000 0.625001 0.750001 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.775113 0.793136 0.550226 S\n0.742910 0.224888 0.949774 S\n0.206865 0.224888 0.949775 S\n0.224887 0.206865 0.449774 S\n0.224887 0.742911 0.449775 S\n0.257090 0.775113 0.050226 S\n0.775113 0.257090 0.550226 S\n0.793135 0.775113 0.050226 S\n",
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{
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"structure_string": "Ca2 Ti2 F10\n1.0\n5.303656 0.016153 1.920978\n1.149965 5.177509 1.920978\n-0.003666 -0.002951 7.718675\nCa Ti F\n2 2 10\ndirect\n0.456772 0.543228 0.750001 Ca\n0.543229 0.456771 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.204798 0.255058 0.879569 F\n0.744943 0.795201 0.620432 F\n0.795203 0.744942 0.120432 F\n0.255058 0.204799 0.379569 F\n0.093184 0.906816 0.750001 F\n0.906817 0.093183 0.250000 F\n0.286342 0.684824 0.469672 F\n0.315176 0.713658 0.030329 F\n0.713659 0.315175 0.530329 F\n0.684824 0.286342 0.969672 F\n",
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{
"id": "jvasp-11602",
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"updated_at": "2022-09-04T14:37:12.697899Z",
"structure_string": "Al4 Fe2 O8\n1.0\n5.672464 0.021673 0.019385\n2.855002 4.901660 0.019385\n2.858316 1.650249 4.667611\nAl Fe O\n4 2 8\ndirect\n0.128930 0.128930 0.121070 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.499999 Al\n0.871071 0.871071 0.878928 Al\n0.000000 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n0.263000 0.263000 0.239531 O\n0.263000 0.263000 0.734469 O\n0.267950 0.734973 0.248538 O\n0.734972 0.267949 0.248538 O\n0.265028 0.732051 0.751460 O\n0.732051 0.265028 0.751460 O\n0.737001 0.737001 0.265529 O\n0.737001 0.737001 0.760467 O\n",
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{
"id": "jvasp-11285",
"created_at": "2022-09-04T14:37:32.481172Z",
"updated_at": "2022-09-04T14:37:32.481200Z",
"structure_string": "Mg2 V4 S8\n1.0\n6.408308 0.000000 -3.364444\n-1.766375 6.160060 -3.364444\n-0.295058 -0.391555 7.223223\nMg V S\n2 4 8\ndirect\n0.375000 0.624999 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n-0.000000 -0.000000 0.499999 V\n0.000000 0.500000 0.000000 V\n0.500000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.761013 0.782804 0.522025 S\n0.760781 0.238987 0.977975 S\n0.217195 0.238987 0.977975 S\n0.238988 0.217195 0.477975 S\n0.238988 0.760780 0.477976 S\n0.239220 0.761012 0.022025 S\n0.761012 0.239219 0.522025 S\n0.782805 0.761012 0.022026 S\n",
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"formula_full": "Mg2 V4 S8",
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{
"id": "jvasp-9971",
"created_at": "2022-09-04T14:37:27.339198Z",
"updated_at": "2022-09-04T14:37:27.339230Z",
"structure_string": "Mg2 Mo4 O8\n1.0\n5.980715 0.038039 0.004993\n2.957132 5.198538 0.016414\n2.975420 1.732194 4.992524\nMg Mo O\n2 4 8\ndirect\n0.859545 0.359560 0.921330 Mg\n0.104774 0.604772 0.185654 Mg\n0.477098 0.977104 0.516430 Mo\n0.530060 0.030045 0.909835 Mo\n0.029376 0.977101 0.516429 Mo\n0.477099 0.529369 0.516437 Mo\n0.234051 0.734073 0.797785 O\n0.719385 0.776537 0.227566 O\n0.276546 0.219384 0.227569 O\n0.771139 0.271146 0.716652 O\n0.771128 0.741066 0.716650 O\n0.241058 0.271113 0.716697 O\n0.276521 0.776495 0.227595 O\n0.732230 0.232237 0.303357 O\n",
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"spacegroup": 160
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{
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"created_at": "2022-09-04T14:37:28.594948Z",
"updated_at": "2022-09-04T14:37:28.594975Z",
"structure_string": "Mg2 Mo4 O8\n1.0\n6.357110 -0.287164 -0.203055\n2.929865 5.074674 -0.000000\n2.929865 1.691558 4.784447\nMg Mo O\n2 4 8\ndirect\n0.986584 0.004473 0.004471 Mg\n0.149550 0.616816 0.616817 Mg\n0.198765 0.267078 0.267078 Mo\n0.621969 0.081053 0.648488 Mo\n0.621970 0.648489 0.081051 Mo\n0.621969 0.648489 0.648488 Mo\n0.401969 0.371346 0.371345 O\n0.401969 0.371346 0.855338 O\n0.401969 0.855338 0.371345 O\n0.818279 0.393907 0.393906 O\n0.351264 0.882911 0.882912 O\n0.891244 0.401090 0.853833 O\n0.891245 0.853833 0.401089 O\n0.891244 0.853834 0.853833 O\n",
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{
"id": "jvasp-10035",
"created_at": "2022-09-04T14:37:10.608990Z",
"updated_at": "2022-09-04T14:37:10.609016Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n6.725559 -0.445791 -0.079236\n2.976713 6.047399 -0.079236\n3.169394 1.829851 5.175599\nCa Sn O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Ca\n0.625000 0.125000 0.625000 Ca\n0.004883 0.004884 0.995116 Sn\n0.245116 0.245116 0.254884 Sn\n0.625000 0.625001 0.124999 Sn\n0.625000 0.625000 0.624999 Sn\n0.394568 0.394568 0.363732 O\n0.437536 0.808724 0.376869 O\n0.394567 0.394568 0.847134 O\n0.808724 0.437537 0.376869 O\n0.441276 0.812464 0.873129 O\n0.812463 0.441277 0.873129 O\n0.855432 0.855433 0.402865 O\n0.855432 0.855433 0.886266 O\n",
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{
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"created_at": "2022-09-04T14:37:32.525832Z",
"updated_at": "2022-09-04T14:37:32.525853Z",
"structure_string": "Mg2 Mo4 O8\n1.0\n5.875983 -0.810780 -0.019680\n2.235835 5.494140 -0.019680\n2.687870 1.551843 4.389274\nMg Mo O\n2 4 8\ndirect\n0.125001 0.625000 0.624999 Mg\n0.625000 0.125000 0.624999 Mg\n0.100919 0.100919 -0.100919 Mo\n0.149081 0.149081 0.350918 Mo\n0.625000 0.625000 0.125000 Mo\n0.625000 0.625000 0.625000 Mo\n0.346951 0.346950 0.416065 O\n0.412646 0.854021 0.366666 O\n0.346951 0.346950 0.890035 O\n0.854021 0.412646 0.366666 O\n0.395980 0.837354 0.883333 O\n0.837355 0.395979 0.883333 O\n0.903050 0.903050 0.359965 O\n0.903050 0.903049 0.833934 O\n",
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{
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"structure_string": "Sr5 Al9\n1.0\n5.707670 0.001721 10.977701\n2.684672 5.036868 10.977701\n0.002866 0.001721 12.372850\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216635 0.216635 0.216635 Sr\n0.783365 0.783365 0.783365 Sr\n0.316633 0.316633 0.316633 Sr\n0.683367 0.683367 0.683366 Sr\n0.000000 0.000000 0.000000 Al\n0.124675 0.124675 0.124675 Al\n0.875326 0.875325 0.875325 Al\n0.237379 0.723251 0.237379 Al\n0.237379 0.237379 0.723250 Al\n0.723251 0.237379 0.237379 Al\n0.276750 0.762621 0.762621 Al\n0.762622 0.276749 0.762621 Al\n0.762621 0.762621 0.276749 Al\n",
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"structure_string": "Sr6 Ga2 N6\n1.0\n3.790506 -6.565349 0.000000\n3.790506 6.565349 -0.000000\n-0.000000 -0.000000 5.418132\nSr Ga N\n6 2 6\ndirect\n0.284492 0.357452 0.250000 Sr\n0.357451 0.072961 0.750000 Sr\n0.927040 0.284492 0.750000 Sr\n0.072961 0.715509 0.250000 Sr\n0.642550 0.927040 0.250000 Sr\n0.715509 0.642550 0.750000 Sr\n0.333334 0.666668 0.750000 Ga\n0.666668 0.333334 0.250000 Ga\n0.400142 0.092992 0.250000 N\n0.092992 0.692851 0.750000 N\n0.307150 0.400142 0.750000 N\n0.692851 0.599859 0.250000 N\n0.907009 0.307151 0.250000 N\n0.599859 0.907009 0.750000 N\n",
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"updated_at": "2022-09-04T14:37:28.589843Z",
"structure_string": "Y2 V4 O8\n1.0\n5.138421 0.107136 -2.545816\n-1.382551 4.931096 -2.582641\n-0.046990 -0.015051 6.365147\nY V O\n2 4 8\ndirect\n0.875000 0.125001 0.750001 Y\n0.125000 0.875001 0.250000 Y\n0.500000 0.000000 -0.000000 V\n0.500000 0.500001 0.000000 V\n0.000000 0.500000 0.500001 V\n0.500000 0.500001 0.500000 V\n0.727670 0.518427 0.851511 O\n0.123841 0.833085 0.851511 O\n0.272331 0.481575 0.148490 O\n0.876159 0.166916 0.148489 O\n0.518435 0.123842 0.351509 O\n0.833074 0.727668 0.351509 O\n0.166927 0.272333 0.648492 O\n0.481565 0.876160 0.648492 O\n",
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{
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"created_at": "2022-09-04T14:37:12.070274Z",
"updated_at": "2022-09-04T14:37:12.070300Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n6.995636 -0.034419 -0.011898\n3.468010 6.075607 -0.011898\n3.478166 2.008121 5.679823\nCa Bi O\n2 4 8\ndirect\n0.125000 0.625000 0.624999 Ca\n0.625001 0.125000 0.624999 Ca\n-0.001447 -0.001447 0.001447 Bi\n0.251448 0.251448 0.248552 Bi\n0.625000 0.625000 0.125000 Bi\n0.625001 0.625000 0.624999 Bi\n0.383290 0.383290 0.383425 O\n0.380685 0.850067 0.384625 O\n0.383291 0.383290 0.849996 O\n0.850067 0.380685 0.384625 O\n0.399934 0.869316 0.865374 O\n0.869317 0.399934 0.865374 O\n0.866711 0.866711 0.400003 O\n0.866711 0.866711 0.866574 O\n",
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]
}