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"id": "jvasp-75858",
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"structure_string": "Sc2 Fe1 As1\n1.0\n-0.000000 3.154637 3.154637\n3.154637 -0.000000 3.154637\n3.154637 3.154637 -0.000000\nSc Fe As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.750001 0.750001 Sc\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 As\n",
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{
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"updated_at": "2022-09-04T14:36:33.354491Z",
"structure_string": "Sm4 S3 N2\n1.0\n3.809766 0.000000 0.955811\n1.865134 6.610987 0.636341\n-0.015885 0.030615 8.133891\nSm S N\n4 3 2\ndirect\n0.245116 0.862934 0.646832 Sm\n0.754883 0.137066 0.353168 Sm\n0.564304 0.729011 0.142379 Sm\n0.435695 0.270989 0.857621 Sm\n0.000000 0.000000 0.000000 S\n0.831573 0.557485 0.779366 S\n0.168425 0.442514 0.220634 S\n0.354077 0.932099 0.359744 N\n0.645922 0.067901 0.640256 N\n",
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{
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"created_at": "2022-09-04T14:36:10.545784Z",
"updated_at": "2022-09-04T14:36:10.545805Z",
"structure_string": "Be2 Tl1 Re1\n1.0\n-2.116028 2.116028 2.993226\n2.116028 -2.116028 2.993226\n2.116028 2.116028 -2.993226\nBe Tl Re\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.750001 0.250000 0.500000 Tl\n0.250000 0.750001 0.500000 Re\n",
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{
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"created_at": "2022-09-04T14:38:44.517664Z",
"updated_at": "2022-09-04T14:38:44.517691Z",
"structure_string": "Ho2 Fe8 Ge4\n1.0\n7.200081 -0.000000 0.000000\n0.000000 7.200081 0.000000\n-0.000000 -0.000000 3.769272\nHo Fe Ge\n2 8 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.582877 0.140615 -0.000000 Fe\n0.417123 0.859384 -0.000000 Fe\n0.640615 0.917123 0.500000 Fe\n0.082877 0.359385 0.500000 Fe\n0.359385 0.082877 0.500000 Fe\n0.917123 0.640615 0.500000 Fe\n0.140615 0.582877 -0.000000 Fe\n0.859384 0.417123 -0.000000 Fe\n0.281709 0.281709 -0.000000 Ge\n0.718290 0.718290 -0.000000 Ge\n0.781709 0.218291 0.500000 Ge\n0.218291 0.781709 0.500000 Ge\n",
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"formula_full": "Ho2 Fe8 Ge4",
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{
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"created_at": "2022-09-04T14:38:04.946179Z",
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"structure_string": "Li4 Ti2 Fe4 O10\n1.0\n4.383478 -2.562450 -0.112065\n1.397713 -0.795660 4.769844\n-1.518289 -7.629441 -0.027689\nLi Ti Fe O\n4 2 4 10\ndirect\n0.200145 0.000014 0.599677 Li\n0.002734 0.999989 0.994581 Li\n0.699816 0.500018 0.600322 Li\n0.897310 0.499994 0.205416 Li\n0.099411 0.500008 0.801159 Ti\n0.800572 0.000010 0.398838 Ti\n0.304034 0.499997 0.391946 Fe\n0.490923 0.499990 0.018148 Fe\n0.595978 0.000007 0.808061 Fe\n0.409082 0.999994 0.181848 Fe\n0.949993 0.749997 0.600003 O\n0.046890 0.237965 0.397482 O\n0.344370 0.737962 0.802521 O\n0.449997 0.249996 0.599998 O\n0.125149 0.761168 0.208199 O\n0.233334 0.261175 0.991801 O\n0.853106 0.262025 0.802517 O\n0.666672 0.238821 0.208195 O\n0.555625 0.762027 0.397480 O\n0.774860 0.738825 0.991804 O\n",
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"formula_full": "Li4 Ti2 Fe4 O10",
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{
"id": "jvasp-12970",
"created_at": "2022-09-04T14:36:42.917928Z",
"updated_at": "2022-09-04T14:36:42.917937Z",
"structure_string": "Mg6 B2 N6\n1.0\n1.773060 -3.071029 -0.000000\n1.773060 3.071029 0.000000\n0.000000 0.000000 16.130781\nMg B N\n6 2 6\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.666667 0.333333 0.122796 Mg\n0.333333 0.666667 0.622796 Mg\n0.333333 0.666667 0.877204 Mg\n0.666667 0.333333 0.377204 Mg\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n0.000000 0.000000 0.083326 N\n0.000000 0.000000 0.583326 N\n0.000000 0.000000 0.916674 N\n0.000000 0.000000 0.416674 N\n",
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"volume": 175.66803385152858,
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"formula_full": "Mg6 B2 N6",
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{
"id": "jvasp-74638",
"created_at": "2022-09-04T14:36:12.016639Z",
"updated_at": "2022-09-04T14:36:12.016665Z",
"structure_string": "Li1 Be2 Mo1\n1.0\n-1.870905 1.870905 3.086525\n1.870905 -1.870905 3.086525\n1.870905 1.870905 -3.086525\nLi Be Mo\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Mo\n",
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{
"id": "jvasp-42266",
"created_at": "2022-09-04T14:38:16.427530Z",
"updated_at": "2022-09-04T14:38:16.427565Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 6.412025 0.000065\n2.998142 0.000000 0.000000\n0.000000 -3.205970 -9.634645\nMn O F\n6 8 4\ndirect\n0.991598 0.000000 0.983167 Mn\n0.833311 0.500000 0.666666 Mn\n0.493883 0.500000 0.987733 Mn\n0.675095 0.000000 0.350168 Mn\n0.333309 0.000000 0.666668 Mn\n0.172806 0.500000 0.345605 Mn\n0.972328 0.000000 0.335962 O\n0.269768 0.500000 0.539586 O\n0.396861 0.500000 0.793750 O\n0.734056 0.500000 0.468105 O\n0.694361 0.000000 0.997368 O\n0.303040 0.000000 0.997377 O\n0.932619 0.500000 0.865226 O\n0.363657 0.000000 0.335971 O\n0.630118 0.000000 0.666656 F\n0.036492 0.000000 0.666656 F\n0.600503 0.500000 0.200965 F\n0.066206 0.500000 0.132372 F\n",
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{
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"created_at": "2022-09-04T14:38:17.827000Z",
"updated_at": "2022-09-04T14:38:17.827009Z",
"structure_string": "Li4 Mn3 Fe2 Cu3 O16\n1.0\n-5.648288 -0.003003 0.001179\n2.821350 5.091525 0.094542\n-0.001772 -0.379694 -9.227918\nLi Mn Fe Cu O\n4 3 2 3 16\ndirect\n0.661686 0.323339 0.101479 Li\n0.991856 0.983686 0.001883 Li\n0.008787 0.017566 0.512594 Li\n0.344864 0.689718 0.600046 Li\n0.825636 0.651250 0.785461 Mn\n0.663144 0.832006 0.286393 Mn\n0.168880 0.832003 0.286392 Mn\n0.667868 0.335718 0.516561 Fe\n0.323617 0.647206 0.010098 Fe\n0.170992 0.341958 0.288379 Cu\n0.833007 0.171076 0.791366 Cu\n0.338093 0.171077 0.791365 Cu\n0.159713 0.319389 0.923638 O\n0.638285 0.784538 0.909080 O\n0.346576 0.693126 0.393000 O\n0.039903 0.530731 0.156809 O\n0.490865 0.530739 0.156808 O\n0.840364 0.680701 0.395263 O\n0.542900 0.511208 0.641799 O\n0.532549 0.065085 0.642509 O\n0.337558 0.161299 0.404057 O\n0.992882 0.985749 0.190962 O\n0.992800 0.985580 0.703949 O\n0.673053 0.346082 0.888299 O\n0.476074 0.952135 0.159033 O\n0.823745 0.161300 0.404054 O\n0.968326 0.511200 0.641805 O\n0.146273 0.784535 0.909082 O\n",
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{
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"created_at": "2022-09-04T14:37:09.369137Z",
"updated_at": "2022-09-04T14:37:09.369157Z",
"structure_string": "Li3 Mn1 P2 H1 O8\n1.0\n5.033736 0.081895 0.022702\n-2.045691 4.633044 -0.021189\n0.002356 -0.058423 6.191428\nLi Mn P H O\n3 1 2 1 8\ndirect\n0.619723 0.223749 0.755876 Li\n0.000001 0.000000 0.500000 Li\n0.380278 0.776250 0.244124 Li\n0.000000 0.000000 0.000000 Mn\n0.638823 0.361965 0.248278 P\n0.361178 0.638034 0.751722 P\n0.000000 0.500000 0.500000 H\n0.754498 0.253429 0.050944 O\n0.781210 0.295781 0.458227 O\n0.309365 0.193651 0.265933 O\n0.275647 0.309024 0.757979 O\n0.724355 0.690975 0.242021 O\n0.690636 0.806347 0.734067 O\n0.218791 0.704218 0.541773 O\n0.245503 0.746570 0.949056 O\n",
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