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{
"id": "jvasp-111801",
"created_at": "2022-09-04T14:38:40.726771Z",
"updated_at": "2022-09-04T14:38:40.726798Z",
"structure_string": "Mn1 Fe5 O8\n1.0\n4.979780 -0.036759 2.892308\n1.647461 4.699514 2.892308\n-0.052246 -0.036759 5.758552\nMn Fe O\n1 5 8\ndirect\n0.500000 0.499999 0.500000 Mn\n0.125389 0.125389 0.125389 Fe\n0.874611 0.874610 0.874612 Fe\n0.500000 -0.000000 0.500000 Fe\n-0.000000 0.499999 0.500000 Fe\n0.500000 0.499999 0.000000 Fe\n0.737986 0.737985 0.737987 O\n0.739126 0.283393 0.739127 O\n0.283393 0.739126 0.739127 O\n0.739126 0.739126 0.283394 O\n0.262014 0.262014 0.262014 O\n0.260874 0.716606 0.260874 O\n0.716607 0.260873 0.260874 O\n0.260873 0.260873 0.716607 O\n",
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{
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"structure_string": "Mn4 O6 F2\n1.0\n5.038263 0.029502 -1.780128\n-2.251881 4.340615 -2.154510\n-0.006452 -0.029502 5.343492\nMn O F\n4 6 2\ndirect\n0.469336 0.719336 0.750000 Mn\n0.530664 0.280665 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500001 0.000000 Mn\n0.189100 0.439100 0.750000 O\n0.693161 -0.000000 0.193161 O\n0.693161 0.500001 0.693161 O\n0.306839 0.500001 0.306839 O\n0.306839 0.000000 0.806839 O\n0.810901 0.560901 0.250000 O\n0.217867 0.967867 0.250000 F\n0.782134 0.032134 0.749999 F\n",
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"formula_full": "Mn4 O6 F2",
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{
"id": "jvasp-43075",
"created_at": "2022-09-04T14:38:11.768463Z",
"updated_at": "2022-09-04T14:38:11.768488Z",
"structure_string": "Ti2 Al2 O6\n1.0\n4.930960 -0.016919 -0.041819\n2.450026 4.261773 -0.006871\n2.417242 1.429719 4.603397\nTi Al O\n2 2 6\ndirect\n0.642855 0.642898 0.054875 Ti\n0.357145 0.357101 0.945126 Ti\n0.847733 0.849019 0.454948 Al\n0.152267 0.150980 0.545053 Al\n0.945614 0.229278 0.262041 O\n0.556491 0.947214 0.265339 O\n0.224260 0.561893 0.268430 O\n0.775741 0.438106 0.731570 O\n0.443509 0.052785 0.734662 O\n0.054386 0.770721 0.737959 O\n",
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"volume": 97.26255823137477,
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"formula_full": "Ti2 Al2 O6",
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"formula_anonymous": "ABC3",
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"spacegroup": 2
},
{
"id": "jvasp-9519",
"created_at": "2022-09-04T14:37:19.130169Z",
"updated_at": "2022-09-04T14:37:19.130197Z",
"structure_string": "Mg2 Si2 Ni2 O10\n1.0\n4.978610 -0.295159 0.155775\n-1.553098 5.162724 -0.038385\n-1.386975 -2.292177 6.116210\nMg Si Ni O\n2 2 2 10\ndirect\n0.869583 0.720546 0.246794 Mg\n0.136159 0.284098 0.739040 Mg\n0.196966 0.322670 0.236452 Si\n0.808776 0.681979 0.749395 Si\n0.502874 0.002325 0.492926 Ni\n0.502875 0.002330 0.992926 Ni\n0.490473 0.355341 0.142907 O\n0.202439 0.140389 0.401284 O\n0.515269 0.649310 0.842938 O\n0.803304 0.864261 0.584560 O\n0.802438 0.373114 0.615706 O\n0.092128 0.793900 0.970175 O\n0.203305 0.631538 0.370138 O\n0.913614 0.210743 0.015670 O\n0.374609 0.050729 0.740170 O\n0.631140 0.953925 0.245679 O\n",
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"volume": 155.61860138659472,
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{
"id": "jvasp-62200",
"created_at": "2022-09-04T14:35:47.031718Z",
"updated_at": "2022-09-04T14:35:47.031746Z",
"structure_string": "Fe10 Si2 B4\n1.0\n-2.752376 2.752376 5.135520\n2.752376 -2.752376 5.135520\n2.752376 2.752376 -5.135520\nFe Si B\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.304505 0.467448 0.500001 Fe\n0.967448 0.804505 0.500001 Fe\n0.467448 0.967448 0.162943 Fe\n0.804506 0.304505 0.837059 Fe\n0.195494 0.695495 0.162943 Fe\n0.532553 0.032552 0.837059 Fe\n0.032552 0.195495 0.500001 Fe\n0.695495 0.532552 0.500001 Fe\n0.250000 0.250000 0.000000 Si\n0.750000 0.750000 0.000000 Si\n0.380385 0.119615 0.500001 B\n0.619615 0.880385 0.500001 B\n0.119615 0.619616 0.739232 B\n0.880385 0.380385 0.260770 B\n",
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{
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"created_at": "2022-09-04T14:38:43.223994Z",
"updated_at": "2022-09-04T14:38:43.224021Z",
"structure_string": "Ho1 H9 C5 N2 O8\n1.0\n6.399039 0.092026 1.782611\n2.449456 5.912389 1.782611\n0.125725 0.085315 6.516054\nHo H C N O\n1 9 5 2 8\ndirect\n0.095247 0.904753 -0.000000 Ho\n0.890629 0.553032 0.399258 H\n0.446968 0.109371 0.600741 H\n0.596414 0.655019 0.526198 H\n0.344981 0.403586 0.473801 H\n0.644847 0.378448 0.822436 H\n0.621552 0.355153 0.177563 H\n0.656207 0.712279 0.109362 H\n0.287721 0.343792 0.890637 H\n0.008282 0.991719 0.500000 H\n0.164177 0.835824 0.500000 C\n0.159867 0.364592 0.043877 C\n0.635408 0.840133 0.956122 C\n0.620241 0.200143 0.297676 C\n0.799857 0.379759 0.702323 C\n0.761540 0.543251 0.529216 N\n0.456749 0.238460 0.470783 N\n0.994496 0.234431 0.733752 O\n0.765569 0.005504 0.266248 O\n0.244476 0.745062 0.331014 O\n0.254939 0.755524 0.668985 O\n0.459925 0.891043 0.877814 O\n0.108957 0.540075 0.122185 O\n0.075463 0.216916 0.130160 O\n0.783084 0.924537 0.869839 O\n",
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{
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"created_at": "2022-09-04T14:38:33.463783Z",
"updated_at": "2022-09-04T14:38:33.463805Z",
"structure_string": "Be2 C4\n1.0\n3.368954 0.000000 0.000000\n-0.000000 3.368954 0.000000\n0.000000 0.000000 5.141500\nBe C\n2 4\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.868689 0.868689 0.000000 C\n0.631309 0.368689 0.500000 C\n0.131310 0.131310 0.000000 C\n0.368689 0.631309 0.500000 C\n",
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{
"id": "jvasp-43542",
"created_at": "2022-09-04T14:35:43.753130Z",
"updated_at": "2022-09-04T14:35:43.753166Z",
"structure_string": "Li3 Y1 Ni2 O6\n1.0\n2.594826 4.572690 0.069474\n-2.594826 4.572690 -0.069474\n-1.647363 0.000000 4.873991\nLi Y Ni O\n3 1 2 6\ndirect\n0.195126 0.195125 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.804875 0.804874 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.334034 0.334034 0.000000 Ni\n0.665966 0.665966 -0.000000 Ni\n0.302106 0.697894 0.766753 O\n0.069473 0.563326 0.230608 O\n0.436674 0.930527 0.230608 O\n0.930528 0.436673 0.769392 O\n0.563326 0.069472 0.769392 O\n0.697894 0.302106 0.233246 O\n",
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{
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"structure_string": "Li2 V3 Fe1 O8\n1.0\n5.863935 0.101697 0.071910\n3.020038 5.027468 0.071910\n3.020038 1.743620 4.715972\nLi V Fe O\n2 3 1 8\ndirect\n0.126411 0.126411 0.126411 Li\n0.495080 0.495080 0.495080 Li\n-0.002893 0.504069 0.504068 V\n0.504069 -0.002892 0.504068 V\n0.504069 0.504069 -0.002893 V\n0.878061 0.878061 0.878060 Fe\n0.261360 0.261360 0.261359 O\n0.246894 0.246893 0.718686 O\n0.246893 0.718687 0.246893 O\n0.718687 0.246894 0.246893 O\n0.269239 0.750833 0.750832 O\n0.750834 0.269240 0.750832 O\n0.750833 0.750834 0.269239 O\n0.750470 0.750470 0.750469 O\n",
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{
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"structure_string": "Cr4 N8\n1.0\n4.355789 -0.000000 0.000000\n-0.000000 4.809664 0.000000\n0.000000 0.000000 5.569198\nCr N\n4 8\ndirect\n0.000000 0.250000 0.913921 Cr\n0.500000 0.749999 0.586079 Cr\n0.000000 0.749999 0.086079 Cr\n0.500000 0.250000 0.413921 Cr\n0.723613 0.076437 0.635420 N\n0.776387 0.576436 0.864581 N\n0.223613 0.923562 0.864581 N\n0.276387 0.423563 0.635420 N\n0.276387 0.923562 0.364581 N\n0.223613 0.423563 0.135420 N\n0.776387 0.076437 0.135420 N\n0.723613 0.576436 0.364581 N\n",
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}
]
}