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{
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"results": [
{
"id": "jvasp-48580",
"created_at": "2022-09-04T14:35:59.529362Z",
"updated_at": "2022-09-04T14:35:59.529387Z",
"structure_string": "Li6 Mn2 F12\n1.0\n0.000000 5.035518 -0.006001\n5.128890 0.000000 0.000000\n0.000000 -4.744081 -7.673841\nLi Mn F\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.731397 0.464109 0.750960 Li\n0.500000 0.500000 -0.000000 Li\n0.268603 0.964109 0.749040 Li\n0.731397 0.035891 0.250960 Li\n0.268603 0.535891 0.249040 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.248606 0.333926 0.428851 F\n0.751394 0.833927 0.071149 F\n0.080454 0.815016 0.427879 F\n0.385650 0.595986 0.753546 F\n0.614350 0.404014 0.246454 F\n0.080454 0.684984 0.927879 F\n0.248606 0.166074 0.928851 F\n0.751394 0.666074 0.571148 F\n0.919546 0.315016 0.072121 F\n0.385650 0.904014 0.253546 F\n0.919546 0.184984 0.572121 F\n0.614350 0.095986 0.746454 F\n",
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{
"id": "jvasp-43511",
"created_at": "2022-09-04T14:37:17.428230Z",
"updated_at": "2022-09-04T14:37:17.428254Z",
"structure_string": "Mg4 Co4 O12\n1.0\n4.646299 4.245109 0.945757\n-4.646299 4.245109 -0.945757\n-0.623837 0.000000 4.900827\nMg Co O\n4 4 12\ndirect\n0.178624 0.606254 0.775133 Mg\n0.393748 0.821376 0.275133 Mg\n0.606254 0.178625 0.724867 Mg\n0.821376 0.393748 0.224867 Mg\n0.084222 0.084222 0.750000 Co\n0.736575 0.736576 0.750000 Co\n0.263425 0.263425 0.250000 Co\n0.915778 0.915778 0.250000 Co\n0.884787 0.663635 0.043953 O\n0.724700 0.471136 0.605271 O\n0.336365 0.115214 0.543953 O\n0.528865 0.275301 0.105270 O\n0.471135 0.724700 0.894730 O\n0.185100 0.980236 0.070695 O\n0.275300 0.528865 0.394730 O\n0.115213 0.336365 0.956048 O\n0.814900 0.019765 0.929306 O\n0.019765 0.814901 0.570695 O\n0.663635 0.884787 0.456048 O\n0.980236 0.185100 0.429306 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.394996961952445,
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"formula_full": "Mg4 Co4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 15
},
{
"id": "jvasp-112065",
"created_at": "2022-09-04T14:38:44.120785Z",
"updated_at": "2022-09-04T14:38:44.120814Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.034112 0.081353 -0.015545\n0.685990 4.746549 0.112427\n-0.076956 0.141706 6.756257\nZn H C O\n1 4 4 4\ndirect\n0.101517 0.626775 0.714418 Zn\n0.045747 0.106436 0.142364 H\n0.639186 0.092161 0.225813 H\n0.969363 0.626194 0.211500 H\n0.563556 0.608220 0.300904 H\n0.984819 0.125304 0.456524 C\n0.856540 0.201088 0.245722 C\n0.754769 0.516658 0.196668 C\n0.600952 0.575993 0.991013 C\n0.138093 0.868380 0.484459 O\n0.927981 0.297615 0.592883 O\n0.693396 0.762894 0.872595 O\n0.364318 0.442179 0.943437 O\n",
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"elements": [
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],
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"density": 2.337540766970893,
"density_atomic": 0.10083746101547028,
"volume": 128.9203423914607,
"volume_molar": 5.972126528529011,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
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"spacegroup": 1
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{
"id": "jvasp-50078",
"created_at": "2022-09-04T14:36:45.799458Z",
"updated_at": "2022-09-04T14:36:45.799477Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n4.897172 -0.071606 -0.000000\n1.803202 4.553666 -0.000000\n0.000000 0.000000 6.190348\nLi Cu P O\n2 2 2 8\ndirect\n0.327105 0.327106 0.750000 Li\n0.672894 0.672894 0.250000 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.349257 0.349257 0.250000 P\n0.650742 0.650743 0.750000 P\n0.242236 0.242237 0.044014 O\n0.242236 0.242237 0.455986 O\n0.245181 0.691658 0.250000 O\n0.308342 0.754819 0.750000 O\n0.691657 0.245181 0.250000 O\n0.754818 0.308342 0.750000 O\n0.757763 0.757763 0.955987 O\n0.757763 0.757763 0.544014 O\n",
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"elements": [
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{
"id": "jvasp-39425",
"created_at": "2022-09-04T14:37:45.566702Z",
"updated_at": "2022-09-04T14:37:45.566725Z",
"structure_string": "K1 Si1 O3\n1.0\n3.673898 -0.000000 -0.000000\n0.000000 3.673898 -0.000000\n0.000000 0.000000 3.673898\nK Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "K1 Si1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-107729",
"created_at": "2022-09-04T14:37:01.693938Z",
"updated_at": "2022-09-04T14:37:01.693959Z",
"structure_string": "V4 C3\n1.0\n2.884540 -0.005231 9.054141\n1.403070 2.520316 9.054141\n-0.008917 -0.005231 9.502524\nV C\n4 3\ndirect\n0.877243 0.877246 0.877244 V\n0.122755 0.122756 0.122756 V\n0.374740 0.374741 0.374740 V\n0.625258 0.625261 0.625259 V\n0.254427 0.254428 0.254427 C\n0.499999 0.500001 0.500000 C\n0.745571 0.745574 0.745572 C\n",
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"formula_anonymous": "A3B4",
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"spacegroup": 166
},
{
"id": "jvasp-120581",
"created_at": "2022-09-04T14:38:52.652339Z",
"updated_at": "2022-09-04T14:38:52.652369Z",
"structure_string": "Li8 Cr2 F12\n1.0\n4.897278 0.000000 0.000000\n-0.000000 4.420968 2.078937\n-0.000000 -0.022660 10.067816\nLi Cr F\n8 2 12\ndirect\n0.548612 0.109527 0.359661 Li\n0.948103 0.772908 0.711784 Li\n0.048612 0.890473 0.140340 Li\n0.551898 0.772908 0.211784 Li\n0.448102 0.227092 0.788216 Li\n0.951388 0.109527 0.859661 Li\n0.051898 0.227092 0.288216 Li\n0.451388 0.890473 0.640340 Li\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.254295 0.197120 0.478899 F\n0.754295 0.802881 0.021101 F\n0.729238 0.103676 0.697512 F\n0.786605 0.463236 0.339622 F\n0.213395 0.536764 0.660379 F\n0.770763 0.103676 0.197512 F\n0.245705 0.197120 0.978899 F\n0.745705 0.802881 0.521102 F\n0.713395 0.463236 0.839622 F\n0.286605 0.536764 0.160379 F\n0.270763 0.896325 0.302489 F\n0.229237 0.896325 0.802489 F\n",
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],
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"formula_full": "Li8 Cr2 F12",
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{
"id": "jvasp-118408",
"created_at": "2022-09-04T14:38:51.298500Z",
"updated_at": "2022-09-04T14:38:51.298524Z",
"structure_string": "H1 F2\n1.0\n3.108256 -0.007535 0.362172\n0.905685 -3.556394 -0.155065\n-1.247964 0.093054 -2.832292\nH F\n1 2\ndirect\n0.823919 0.112697 0.152877 H\n0.607223 0.902410 0.849196 F\n0.029708 0.313095 0.441324 F\n",
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},
{
"id": "jvasp-51725",
"created_at": "2022-09-04T14:37:28.035400Z",
"updated_at": "2022-09-04T14:37:28.035431Z",
"structure_string": "Zn2 H4 S2 O10\n1.0\n3.028988 3.870270 -1.596220\n-3.028988 3.870270 1.596220\n0.068843 0.000000 7.578463\nZn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.423663 0.154180 0.794690 H\n0.154179 0.423664 0.705309 H\n0.576336 0.845821 0.205309 H\n0.845820 0.576337 0.294691 H\n0.841608 0.841608 0.750000 S\n0.158392 0.158392 0.250000 S\n0.381212 0.161878 0.161394 O\n0.161878 0.381212 0.338606 O\n0.618787 0.838123 0.838606 O\n0.838122 0.618788 0.661394 O\n0.117931 0.781151 0.905101 O\n0.882069 0.218850 0.094899 O\n0.781150 0.117932 0.594899 O\n0.363335 0.363335 0.750000 O\n0.218849 0.882069 0.405101 O\n0.636665 0.636665 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:37:42.202265Z",
"updated_at": "2022-09-04T14:37:42.202286Z",
"structure_string": "V6 B4\n1.0\n5.730548 -0.000000 -0.000000\n0.000000 5.730548 0.000000\n-0.000000 0.000000 3.020410\nV B\n6 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.320492 0.820493 0.500000 V\n0.820493 0.679508 0.500000 V\n0.179508 0.320492 0.500000 V\n0.679508 0.179508 0.500000 V\n0.109497 0.609497 0.000000 B\n0.609497 0.890503 0.000000 B\n0.390503 0.109497 0.000000 B\n0.890503 0.390503 0.000000 B\n",
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{
"id": "jvasp-58595",
"created_at": "2022-09-04T14:37:29.474571Z",
"updated_at": "2022-09-04T14:37:29.474597Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n5.790305 -0.073922 0.031583\n2.831135 5.051512 0.031583\n2.899600 1.674085 4.735027\nMg Ni O\n2 4 8\ndirect\n0.124999 0.625000 0.625000 Mg\n0.625000 0.125001 0.625000 Mg\n0.997689 0.997689 0.002310 Ni\n0.252311 0.252312 0.247689 Ni\n0.625000 0.625000 0.124999 Ni\n0.625000 0.625001 0.625000 Ni\n0.389357 0.389358 0.373532 O\n0.405912 0.854459 0.369814 O\n0.389357 0.389358 0.847753 O\n0.854459 0.405913 0.369814 O\n0.395541 0.844088 0.880185 O\n0.844088 0.395542 0.880185 O\n0.860643 0.860643 0.402246 O\n0.860643 0.860644 0.876467 O\n",
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},
{
"id": "jvasp-111631",
"created_at": "2022-09-04T14:38:27.790313Z",
"updated_at": "2022-09-04T14:38:27.790323Z",
"structure_string": "Mn4 V4 O12\n1.0\n5.082146 0.008492 0.000057\n-0.008762 5.269083 -0.000128\n0.000162 0.000024 7.408169\nMn V O\n4 4 12\ndirect\n0.487912 0.054180 0.249998 Mn\n0.512090 0.945819 0.750001 Mn\n0.012071 0.554175 0.250000 Mn\n0.987929 0.445823 0.750001 Mn\n0.500001 0.500000 0.000000 V\n-0.000000 -0.000000 0.500000 V\n0.500000 0.499999 0.500000 V\n0.000000 0.000000 0.000000 V\n0.816031 0.693533 0.560055 O\n0.683979 0.193538 0.939942 O\n0.816026 0.693532 0.939946 O\n0.683977 0.193537 0.560059 O\n0.183969 0.306465 0.439945 O\n0.619728 0.452344 0.250001 O\n0.380272 0.547655 0.749998 O\n0.119744 0.047639 0.750001 O\n0.316025 0.806461 0.439941 O\n0.880258 0.952359 0.249999 O\n0.316022 0.806461 0.060058 O\n0.183975 0.306468 0.060054 O\n",
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}
]
}