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{
"id": "jvasp-42326",
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"updated_at": "2022-09-04T14:35:54.008908Z",
"structure_string": "Fe7 O3 F9\n1.0\n-5.305610 0.189111 0.728933\n2.319332 4.734790 -1.641483\n1.242411 0.125093 -8.909056\nFe O F\n7 3 9\ndirect\n0.216843 0.350058 0.067956 Fe\n0.030833 0.384018 0.631464 Fe\n0.487091 0.136137 0.822813 Fe\n0.327635 0.137597 0.433744 Fe\n0.466554 0.904295 0.159243 Fe\n0.947440 0.627362 0.332507 Fe\n0.800231 0.910274 0.595826 Fe\n0.234400 0.008660 0.242782 O\n0.718886 0.275578 0.462002 O\n0.211243 0.124851 0.616301 O\n0.805317 0.519703 0.715704 F\n0.191307 0.469086 0.280827 F\n0.223967 0.771652 0.961841 F\n0.368018 0.732000 0.559204 F\n0.291612 0.359478 0.858481 F\n0.618437 0.603410 0.138889 F\n0.733926 0.977490 0.790508 F\n0.785998 0.205474 0.033617 F\n0.756675 0.866125 0.366247 F\n",
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{
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"created_at": "2022-09-04T14:36:06.407163Z",
"updated_at": "2022-09-04T14:36:06.407198Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
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{
"id": "jvasp-98530",
"created_at": "2022-09-04T14:35:45.025281Z",
"updated_at": "2022-09-04T14:35:45.025307Z",
"structure_string": "Sr2 Sc2 B4 O11\n1.0\n5.114013 0.007506 0.055097\n1.594798 5.973182 1.327391\n-0.011479 0.034242 7.290310\nSr Sc B O\n2 2 4 11\ndirect\n0.774906 0.805763 0.836242 Sr\n0.225093 0.194236 0.163758 Sr\n0.813594 0.718208 0.352222 Sc\n0.186406 0.281792 0.647779 Sc\n0.277944 0.779573 0.608064 B\n0.647968 0.343096 0.898870 B\n0.352032 0.656904 0.101130 B\n0.722056 0.220427 0.391936 B\n0.910690 0.341899 0.867206 O\n0.175485 0.946857 0.706095 O\n0.889806 0.355758 0.420497 O\n0.489705 0.796203 0.151186 O\n0.089310 0.658100 0.132794 O\n0.538393 0.743540 0.555553 O\n0.461607 0.256460 0.444447 O\n0.824515 0.053143 0.293906 O\n0.110193 0.644242 0.579504 O\n0.500000 0.500000 0.000000 O\n0.510294 0.203797 0.848814 O\n",
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{
"id": "jvasp-85849",
"created_at": "2022-09-04T14:35:46.429406Z",
"updated_at": "2022-09-04T14:35:46.429429Z",
"structure_string": "Nd2 Fe17\n1.0\n6.270945 0.033573 0.787573\n0.698996 6.231956 0.787573\n0.037348 0.033573 6.320097\nNd Fe\n2 17\ndirect\n0.655248 0.655247 0.655246 Nd\n0.344754 0.344753 0.344753 Nd\n0.334888 0.334887 0.848439 Fe\n0.334888 0.848439 0.334887 Fe\n0.848440 0.334887 0.334887 Fe\n0.151562 0.665113 0.665112 Fe\n0.665114 0.665113 0.151561 Fe\n0.665114 0.151561 0.665112 Fe\n0.287093 -0.000000 0.712908 Fe\n0.090973 0.090973 0.090973 Fe\n0.712908 -0.000000 0.287092 Fe\n0.000000 0.287092 0.712908 Fe\n0.287093 0.712908 -0.000001 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.909029 0.909027 0.909026 Fe\n0.712908 0.287092 -0.000001 Fe\n0.000001 0.712908 0.287092 Fe\n",
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{
"id": "jvasp-85936",
"created_at": "2022-09-04T14:35:44.174645Z",
"updated_at": "2022-09-04T14:35:44.174673Z",
"structure_string": "Pr5 Ru2 O12\n1.0\n6.009313 0.000000 0.000000\n-3.004657 6.149177 -1.930552\n0.000000 -0.002042 7.718568\nPr Ru O\n5 2 12\ndirect\n0.306897 0.613795 0.643176 Pr\n0.693103 0.386206 0.356825 Pr\n0.690591 0.381184 0.832724 Pr\n0.309408 0.618817 0.167277 Pr\n0.000000 0.000000 0.500000 Pr\n0.764972 0.000000 0.000000 Ru\n0.235028 0.000000 0.000000 Ru\n0.587222 0.683331 0.922020 O\n0.500124 0.000248 0.169824 O\n0.594841 0.690873 0.422605 O\n0.000889 0.001781 0.184369 O\n0.903967 0.309128 0.577396 O\n0.405159 0.309128 0.577396 O\n0.499875 0.999753 0.830177 O\n0.412777 0.316669 0.077980 O\n0.999110 0.998220 0.815632 O\n0.096032 0.690873 0.422605 O\n0.096108 0.683331 0.922020 O\n0.903891 0.316669 0.077980 O\n",
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],
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"density": 6.396969762224226,
"density_atomic": 0.06662099586759178,
"volume": 285.19537651106583,
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"formula_full": "Pr5 Ru2 O12",
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"formula_anonymous": "A2B5C12",
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{
"id": "jvasp-86937",
"created_at": "2022-09-04T14:35:42.998814Z",
"updated_at": "2022-09-04T14:35:42.998840Z",
"structure_string": "Ce2 Fe17\n1.0\n6.225033 0.052178 0.834874\n0.737245 6.181441 0.834874\n0.058278 0.052178 6.280497\nCe Fe\n2 17\ndirect\n0.344263 0.344263 0.344263 Ce\n0.655736 0.655737 0.655736 Ce\n0.846686 0.336637 0.336637 Fe\n0.153313 0.663363 0.663363 Fe\n0.663362 0.663363 0.153313 Fe\n0.663363 0.153313 0.663363 Fe\n0.294746 1.000000 0.705253 Fe\n-0.000000 0.705253 0.294746 Fe\n0.705253 0.294747 1.000000 Fe\n0.336637 0.336637 0.846687 Fe\n0.294746 0.705253 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909180 0.909181 0.909180 Fe\n0.090819 0.090819 0.090819 Fe\n0.336636 0.846687 0.336637 Fe\n1.000000 0.294747 0.705253 Fe\n0.705253 0.000000 0.294746 Fe\n",
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"volume": 240.8926031738011,
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"formula_full": "Ce2 Fe17",
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"spacegroup": 166
},
{
"id": "jvasp-86873",
"created_at": "2022-09-04T14:35:42.289239Z",
"updated_at": "2022-09-04T14:35:42.289267Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110198 0.000000 -1.443859\n-0.554901 7.181727 -1.963942\n-0.025288 0.065302 9.675594\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401298 0.039033 0.802597 Sr\n0.334007 0.528694 0.668015 Sr\n0.973338 0.736366 0.946675 Sr\n0.200429 0.803589 0.400858 Sr\n0.799571 0.196411 0.599142 Sr\n0.026662 0.263635 0.053325 Sr\n0.665993 0.471306 0.331985 Sr\n0.598702 0.960967 0.197402 Sr\n0.186447 0.204810 0.372894 Mn\n0.813553 0.795191 0.627106 Mn\n0.500000 0.500000 0.000000 Fe\n0.724214 0.831356 0.448428 N\n0.275786 0.168644 0.551571 N\n0.822988 0.571204 0.645974 N\n0.105886 0.012929 0.211772 N\n0.894114 0.987072 0.788228 N\n0.177013 0.428797 0.354025 N\n0.476255 0.711345 0.952510 N\n0.523745 0.288655 0.047490 N\n",
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],
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{
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"created_at": "2022-09-04T14:35:41.649814Z",
"updated_at": "2022-09-04T14:35:41.649841Z",
"structure_string": "Ce2 Fe17\n1.0\n6.294712 0.062487 0.855164\n0.755163 6.249562 0.855164\n0.069792 0.062487 6.352152\nCe Fe\n2 17\ndirect\n0.341352 0.341352 0.341351 Ce\n0.658647 0.658648 0.658647 Ce\n0.841650 0.341138 0.341137 Fe\n0.158349 0.658862 0.658861 Fe\n0.658861 0.658862 0.158349 Fe\n0.658861 0.158350 0.658861 Fe\n0.295954 0.000000 0.704046 Fe\n-0.000000 0.704046 0.295953 Fe\n0.704046 0.295954 -0.000001 Fe\n0.341137 0.341138 0.841650 Fe\n0.295954 0.704046 -0.000001 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.905329 0.905330 0.905328 Fe\n0.094670 0.094670 0.094670 Fe\n0.341137 0.841650 0.341137 Fe\n-0.000000 0.295954 0.704046 Fe\n0.704046 0.000000 0.295953 Fe\n",
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{
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"created_at": "2022-09-04T14:35:43.852060Z",
"updated_at": "2022-09-04T14:35:43.852094Z",
"structure_string": "Ho6 Re1 O12\n1.0\n4.880189 2.817580 3.096967\n-4.880190 2.817579 3.096967\n0.000000 -5.635158 3.096967\nHo Re O\n6 1 12\ndirect\n0.389040 0.856301 0.685233 Ho\n0.314768 0.610961 0.143700 Ho\n0.143700 0.314768 0.610961 Ho\n0.856301 0.685233 0.389040 Ho\n0.685233 0.389040 0.856301 Ho\n0.610961 0.143700 0.314768 Ho\n0.000000 0.000000 0.000000 Re\n0.822761 0.410496 0.567860 O\n0.432142 0.177240 0.589505 O\n0.926056 0.702058 0.035576 O\n0.589505 0.432141 0.177240 O\n0.410496 0.567859 0.822761 O\n0.177240 0.589505 0.432141 O\n0.567860 0.822761 0.410496 O\n0.702058 0.035576 0.926056 O\n0.297943 0.964426 0.073945 O\n0.035576 0.926056 0.702058 O\n0.073945 0.297943 0.964426 O\n0.964426 0.073945 0.297943 O\n",
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{
"id": "jvasp-112948",
"created_at": "2022-09-04T14:38:45.515261Z",
"updated_at": "2022-09-04T14:38:45.515291Z",
"structure_string": "Y2 Ga2 Fe15\n1.0\n6.282469 0.011647 0.849421\n0.743852 6.238288 0.849421\n0.013093 0.011647 6.339618\nY Ga Fe\n2 2 15\ndirect\n0.653318 0.653319 0.653318 Y\n0.346682 0.346682 0.346682 Y\n0.897603 0.897605 0.897604 Ga\n0.102396 0.102396 0.102396 Ga\n0.658876 0.658877 0.159742 Fe\n0.840258 0.341125 0.341124 Fe\n0.341123 0.840259 0.341124 Fe\n0.341123 0.341125 0.840258 Fe\n0.697218 0.302783 -0.000000 Fe\n-0.000000 0.697218 0.302782 Fe\n-0.000001 0.302783 0.697218 Fe\n0.658876 0.159743 0.658876 Fe\n0.697218 0.000001 0.302782 Fe\n0.302782 0.697218 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.302782 0.000001 0.697218 Fe\n0.159741 0.658877 0.658876 Fe\n",
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],
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"volume": 248.28239561032203,
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"spacegroup": 166
},
{
"id": "jvasp-20779",
"created_at": "2022-09-04T14:38:35.543097Z",
"updated_at": "2022-09-04T14:38:35.543126Z",
"structure_string": "Zr2 Be17\n1.0\n5.634899 0.005390 0.696113\n0.616066 5.601122 0.696113\n0.006009 0.005390 5.677730\nZr Be\n2 17\ndirect\n0.837471 0.837470 0.837469 Zr\n0.162530 0.162530 0.162530 Zr\n0.842381 0.842379 0.340282 Be\n0.842380 0.340283 0.842379 Be\n0.340283 0.842379 0.842379 Be\n0.659718 0.157620 0.157620 Be\n0.157621 0.157620 0.659717 Be\n0.157621 0.659717 0.157620 Be\n0.786225 0.500000 0.213774 Be\n0.403727 0.403726 0.403726 Be\n0.213776 0.500000 0.786224 Be\n0.500001 0.786225 0.213774 Be\n0.786225 0.213775 0.499999 Be\n0.500000 0.000000 0.500000 Be\n0.000001 0.500000 0.500000 Be\n0.500000 0.500000 -0.000001 Be\n0.596274 0.596273 0.596273 Be\n0.213776 0.786225 0.499999 Be\n0.500000 0.213775 0.786224 Be\n",
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{
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"created_at": "2022-09-04T14:38:41.935612Z",
"updated_at": "2022-09-04T14:38:41.935639Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n4.057300 0.235281 0.158963\n1.441686 4.134755 0.902341\n0.308391 0.207759 10.236466\nZn H C O\n1 8 6 4\ndirect\n0.812364 0.031039 0.223845 Zn\n0.468331 0.620007 0.528730 H\n-0.001392 0.745477 0.518969 H\n0.516257 0.035910 0.641526 H\n0.504948 0.433326 0.780247 H\n0.528036 0.845794 0.885763 H\n0.066898 0.014725 0.908935 H\n0.047459 0.176837 0.643423 H\n0.036583 0.577356 0.785660 H\n0.394958 0.118149 0.032300 C\n0.305316 0.074601 0.899222 C\n0.277922 0.357810 0.778502 C\n0.299086 0.412345 0.393417 C\n0.251205 0.533169 0.522929 C\n0.272874 0.254866 0.646363 C\n0.603367 0.269490 0.035332 O\n0.059996 0.536534 0.301663 O\n0.595955 0.172070 0.386113 O\n0.307531 0.966804 0.143239 O\n",
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}
]
}