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{
"id": "jvasp-39906",
"created_at": "2022-09-04T14:37:49.248621Z",
"updated_at": "2022-09-04T14:37:49.248641Z",
"structure_string": "Y3 Al7 Cu2\n1.0\n5.510122 0.000000 -0.000000\n2.755061 -4.771906 0.000000\n0.000000 3.181270 -8.491217\nY Al Cu\n3 7 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.858294 0.283412 0.425117 Y\n0.141705 0.716591 0.574885 Y\n0.418323 0.163353 0.235500 Al\n0.418323 0.653826 0.235500 Al\n0.927851 0.653826 0.235500 Al\n0.500000 1.000000 0.500000 Al\n0.072149 0.346176 0.764499 Al\n0.581676 0.346176 0.764499 Al\n0.581677 0.836648 0.764499 Al\n0.664587 0.670826 0.006239 Cu\n0.335414 0.329173 0.993761 Cu\n",
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{
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"structure_string": "Li2 V4 Fe2 O12\n1.0\n6.683365 -0.281291 -0.125774\n-0.965006 6.619310 0.125774\n-1.520766 1.372082 5.127955\nLi V Fe O\n2 4 2 12\ndirect\n0.260289 0.260290 0.250000 Li\n0.739709 0.739710 0.750001 Li\n0.196333 0.614501 0.783426 V\n0.385498 0.803666 0.283426 V\n0.614501 0.196333 0.716575 V\n0.803665 0.385498 0.216575 V\n0.084967 0.084967 0.750001 Fe\n0.915032 0.915033 0.250000 Fe\n0.811965 0.013506 0.854194 O\n0.585246 0.293032 0.366988 O\n0.640161 0.894124 0.275078 O\n0.706967 0.414753 0.866988 O\n0.293031 0.585247 0.133013 O\n0.105875 0.359838 0.775079 O\n0.414752 0.706968 0.633013 O\n0.188033 0.986493 0.145807 O\n0.894123 0.640162 0.224922 O\n0.013506 0.811966 0.645808 O\n0.359838 0.105875 0.724923 O\n0.986493 0.188034 0.354193 O\n",
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{
"id": "jvasp-37401",
"created_at": "2022-09-04T14:38:01.003441Z",
"updated_at": "2022-09-04T14:38:01.003473Z",
"structure_string": "Sm6 Al2\n1.0\n3.470796 -6.011595 -0.000000\n3.470796 6.011595 0.000000\n0.000000 0.000000 5.349997\nSm Al\n6 2\ndirect\n0.823640 0.176361 0.750000 Sm\n0.352720 0.176360 0.750000 Sm\n0.823641 0.647281 0.750000 Sm\n0.176361 0.823640 0.250000 Sm\n0.647281 0.823641 0.250000 Sm\n0.176360 0.352720 0.250000 Sm\n0.666667 0.333334 0.250000 Al\n0.333334 0.666667 0.750000 Al\n",
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"density": 7.11148930153102,
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"volume": 223.25558752181473,
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{
"id": "jvasp-19296",
"created_at": "2022-09-04T14:36:48.552041Z",
"updated_at": "2022-09-04T14:36:48.552060Z",
"structure_string": "Mg6 Co4 O14\n1.0\n5.176403 -0.000000 0.000000\n0.000000 4.768656 -1.286268\n0.000000 -0.110294 9.073790\nMg Co O\n6 4 14\ndirect\n0.674114 0.773091 -0.000000 Mg\n0.174114 0.226910 -0.000000 Mg\n0.829698 0.560524 0.614370 Mg\n0.329698 0.439478 0.385630 Mg\n0.829698 0.946153 0.385630 Mg\n0.329698 0.053849 0.614370 Mg\n0.749557 0.352149 0.202819 Co\n0.249558 0.647853 0.797181 Co\n0.249558 0.850671 0.202819 Co\n0.749557 0.149331 0.797181 Co\n0.299508 0.614164 -0.000000 O\n0.799508 0.385837 -0.000000 O\n0.439452 0.139040 0.149776 O\n0.939451 0.860962 0.850224 O\n0.048288 0.574250 0.265794 O\n0.548288 0.425751 0.734206 O\n0.206194 0.068961 0.406462 O\n0.048288 0.308457 0.734206 O\n0.706193 0.337502 0.406462 O\n0.206194 0.662499 0.593538 O\n0.939451 0.010738 0.149776 O\n0.706193 0.931040 0.593538 O\n0.548288 0.691545 0.265794 O\n0.439452 0.989264 0.850224 O\n",
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"volume": 223.24747109226666,
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{
"id": "jvasp-85745",
"created_at": "2022-09-04T14:36:18.518463Z",
"updated_at": "2022-09-04T14:36:18.518480Z",
"structure_string": "Np4 In2 Pt4\n1.0\n3.698937 0.000054 0.000014\n0.000106 7.768447 0.000469\n0.000033 0.000286 7.768802\nNp In Pt\n4 2 4\ndirect\n0.500006 0.831157 0.331168 Np\n0.500002 0.668837 0.831148 Np\n0.499999 0.331164 0.168832 Np\n0.499995 0.168829 0.668853 Np\n0.000000 -0.000004 0.000016 In\n0.000000 0.499985 0.499991 In\n0.000001 0.133193 0.366827 Pt\n-0.000003 0.633192 0.133168 Pt\n0.000003 0.366825 0.866810 Pt\n-0.000001 0.866825 0.633185 Pt\n",
"nsites": 10,
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"density": 14.564325646792662,
"density_atomic": 0.04479554311796778,
"volume": 223.2364941678525,
"volume_molar": 13.44361590647727,
"formula_full": "Np4 In2 Pt4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
"id": "jvasp-66533",
"created_at": "2022-09-04T14:35:56.667782Z",
"updated_at": "2022-09-04T14:35:56.667802Z",
"structure_string": "Ba4 Tc1 Sn1\n1.0\n-0.000000 4.814776 4.814776\n4.814776 -0.000000 4.814776\n4.814776 4.814776 0.000000\nBa Tc Sn\n4 1 1\ndirect\n0.124152 0.625284 0.625284 Ba\n0.625284 0.625284 0.625284 Ba\n0.625284 0.124152 0.625284 Ba\n0.625284 0.625284 0.124152 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Sn\n",
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"elements": [
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"volume": 223.23292860116217,
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-122529",
"created_at": "2022-09-04T14:38:53.511252Z",
"updated_at": "2022-09-04T14:38:53.511268Z",
"structure_string": "Cr4 O12\n1.0\n4.981675 -0.000000 0.000000\n0.000000 5.638322 0.000000\n0.000000 -0.000000 7.947155\nCr O\n4 12\ndirect\n0.941696 0.234974 0.250000 Cr\n0.441696 0.265026 0.750000 Cr\n0.558303 0.734974 0.250000 Cr\n0.058303 0.765026 0.750000 Cr\n0.126481 0.196832 0.088978 O\n0.126481 0.196832 0.411022 O\n0.817400 0.528760 0.250000 O\n0.317401 -0.028760 0.750000 O\n0.626481 0.303168 0.588978 O\n0.626481 0.303168 0.911023 O\n0.373519 0.696831 0.088978 O\n0.373519 0.696831 0.411022 O\n0.682598 0.028760 0.250000 O\n0.182599 0.471240 0.750000 O\n0.873518 0.803168 0.911023 O\n0.873518 0.803168 0.588978 O\n",
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"density_atomic": 0.07167753039366015,
"volume": 223.2219764286856,
"volume_molar": 8.401713517368417,
"formula_full": "Cr4 O12",
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"spacegroup": 62
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{
"id": "jvasp-12561",
"created_at": "2022-09-04T14:38:13.606875Z",
"updated_at": "2022-09-04T14:38:13.606893Z",
"structure_string": "Ba4 H8\n1.0\n4.146494 -0.000000 0.000000\n-0.000000 6.817103 0.000000\n0.000000 0.000000 7.896650\nBa H\n4 8\ndirect\n0.250000 0.759753 0.385685 Ba\n0.749999 0.240246 0.614315 Ba\n0.250000 0.259754 0.114315 Ba\n0.749999 0.740246 0.885685 Ba\n0.250000 0.529833 0.679684 H\n0.749999 0.470167 0.320316 H\n0.250000 0.029833 0.820316 H\n0.749999 0.970166 0.179684 H\n0.749999 0.355033 0.929398 H\n0.250000 0.644966 0.070602 H\n0.749999 0.855033 0.570602 H\n0.250000 0.144967 0.429398 H\n",
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{
"id": "jvasp-42281",
"created_at": "2022-09-04T14:36:18.108216Z",
"updated_at": "2022-09-04T14:36:18.108242Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.779292 0.005727 -0.006047\n-0.044245 5.797120 0.016588\n-0.030181 -0.307532 8.055370\nMn O F\n6 2 10\ndirect\n0.490596 0.514980 0.002547 Mn\n0.512250 0.163697 0.674696 Mn\n0.460547 0.827052 0.325357 Mn\n0.018409 0.676319 0.646632 Mn\n0.018234 0.352885 0.334468 Mn\n0.005945 0.976523 0.015581 Mn\n0.198211 0.637033 0.429185 O\n0.305039 0.784929 0.107119 O\n0.807679 0.367712 0.570525 F\n0.702902 0.206276 0.915048 F\n0.717007 0.530154 0.222724 F\n0.678751 0.861033 0.550661 F\n0.190063 0.971943 0.770369 F\n0.303649 0.468065 0.769487 F\n0.205627 0.280021 0.100009 F\n0.786062 0.038798 0.246266 F\n0.296189 0.139738 0.439770 F\n0.802849 0.702848 0.879558 F\n",
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"formula_full": "Mn6 O2 F10",
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{
"id": "jvasp-34376",
"created_at": "2022-09-04T14:37:15.573960Z",
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"structure_string": "Ba3 Ta2 Cd1 O9\n1.0\n2.965069 -5.135650 -0.000000\n2.965069 5.135650 -0.000000\n0.000000 -0.000000 7.328281\nBa Ta Cd O\n3 2 1 9\ndirect\n0.666667 0.333333 0.337568 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.662432 Ba\n0.333333 0.666667 0.167278 Ta\n0.666667 0.333333 0.832722 Ta\n0.000000 0.000000 0.500000 Cd\n0.353343 0.176672 0.686461 O\n0.823329 0.646658 0.686461 O\n0.176672 0.353343 0.313539 O\n0.000000 0.500000 0.000000 O\n0.176672 0.823328 0.313539 O\n0.646658 0.823329 0.313539 O\n0.823328 0.176672 0.686461 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"updated_at": "2022-09-04T14:36:40.092337Z",
"structure_string": "Na1 Zr2 Ag1 F11\n1.0\n5.824866 0.149107 -0.457275\n-1.620790 4.984558 1.911735\n-1.886912 -0.485281 7.616113\nNa Zr Ag F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.496584 0.505988 0.229202 Zr\n0.503417 0.494013 0.770797 Zr\n0.000000 0.000000 0.500000 Ag\n0.313960 0.794073 0.112616 F\n0.301425 0.369000 -0.015267 F\n0.698576 0.631001 0.015266 F\n0.840436 0.748202 0.722665 F\n0.831514 0.749022 0.312492 F\n0.168487 0.250979 0.687508 F\n0.686042 0.205928 0.887383 F\n0.159565 0.251799 0.277334 F\n0.640950 0.188170 0.340356 F\n0.359051 0.811831 0.659643 F\n0.500001 0.500001 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:36:02.521618Z",
"updated_at": "2022-09-04T14:36:02.521643Z",
"structure_string": "Ba4 Zr1 Nb1\n1.0\n-0.000000 4.814358 4.814358\n4.814358 -0.000000 4.814358\n4.814358 4.814358 0.000000\nBa Zr Nb\n4 1 1\ndirect\n0.125836 0.624721 0.624721 Ba\n0.624721 0.624721 0.624721 Ba\n0.624721 0.125836 0.624721 Ba\n0.624721 0.624721 0.125836 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Nb\n",
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"volume": 223.1747930221888,
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]
}