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{
"id": "oqmd-20596",
"created_at": "2022-09-04T15:00:35.802571Z",
"updated_at": "2022-09-04T15:00:35.802585Z",
"structure_string": "Li4 Be4 H12\n1.0\n4.543715 0.012573 0.050891\n-1.094329 6.181967 -0.003963\n-1.664714 -1.004200 5.545066\nBe H Li\n4 12 4\ndirect\n0.767940 0.878778 0.151279 Be\n0.618536 0.487094 0.174613 Be\n0.431625 0.743027 0.754067 Be\n0.282041 0.351480 0.777587 Be\n0.050987 0.995314 0.130700 H\n0.846282 0.667344 0.154230 H\n0.346694 0.525874 0.225042 H\n0.792412 0.382322 0.344876 H\n0.702458 0.966491 0.360333 H\n0.347441 0.264073 0.568369 H\n0.257724 0.847816 0.583738 H\n0.703531 0.704147 0.703764 H\n0.203601 0.562856 0.774232 H\n0.999088 0.234780 0.798139 H\n0.562942 0.335256 0.955017 H\n0.487076 0.894820 0.973660 H\n0.102442 0.278398 0.270190 Li\n0.301137 0.808883 0.288631 Li\n0.748770 0.420897 0.639881 Li\n0.947540 0.951510 0.658760 Li\n",
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{
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"structure_string": "K2 Br4\n1.0\n5.252075 3.032287 8.576602\n-5.252075 3.032287 8.576602\n0.000000 -6.064574 8.576602\nBr K\n4 2\ndirect\n0.625000 0.625000 0.125000 Br\n0.625000 0.125000 0.625000 Br\n0.125000 0.625000 0.625000 Br\n0.625000 0.625000 0.625000 Br\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 K\n",
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{
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"created_at": "2022-09-04T15:40:46.344968Z",
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"structure_string": "Ca4 Mn2\n1.0\n4.616565 2.665375 7.538820\n-4.616565 2.665375 7.538820\n0.000000 -5.330751 7.538820\nCa Mn\n4 2\ndirect\n0.375000 0.375000 0.375000 Ca\n0.875001 0.375000 0.375000 Ca\n0.375000 0.875001 0.375000 Ca\n0.375000 0.375000 0.875001 Ca\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n",
"nsites": 6,
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"elements": [
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"volume": 556.585583702417,
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{
"id": "oqmd-1602877",
"created_at": "2022-09-04T16:00:01.189118Z",
"updated_at": "2022-09-04T16:00:01.189152Z",
"structure_string": "K5 Be1\n1.0\n7.926614 0.000000 0.000000\n-3.963307 6.864649 0.000000\n0.000000 0.000000 7.713575\nBe K\n1 5\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.500000 K\n",
"nsites": 6,
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"elements": [
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"density": 0.8090744312097777,
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"volume": 419.7220183027819,
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"formula_full": "K5 Be1",
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{
"id": "oqmd-1237690",
"created_at": "2022-09-04T15:40:43.598553Z",
"updated_at": "2022-09-04T15:40:43.598562Z",
"structure_string": "Si4 Cl2\n1.0\n4.050453 2.338530 6.614362\n-4.050453 2.338530 6.614362\n0.000000 -4.677060 6.614362\nCl Si\n2 4\ndirect\n0.250000 0.250000 0.250000 Cl\n0.500001 0.500001 0.500001 Cl\n0.375001 0.375001 0.375001 Si\n0.874998 0.375001 0.375001 Si\n0.375001 0.874998 0.375001 Si\n0.375001 0.375001 0.874998 Si\n",
"nsites": 6,
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{
"id": "oqmd-1237736",
"created_at": "2022-09-04T15:40:43.228880Z",
"updated_at": "2022-09-04T15:40:43.228905Z",
"structure_string": "Be4 P2\n1.0\n3.287510 1.898045 5.368481\n-3.287510 1.898045 5.368481\n0.000000 -3.796089 5.368481\nBe P\n4 2\ndirect\n0.625000 0.625000 0.125000 Be\n0.625000 0.125000 0.625000 Be\n0.125000 0.625000 0.625000 Be\n0.625000 0.625000 0.625000 Be\n0.500000 0.500000 0.500000 P\n0.750001 0.750001 0.750001 P\n",
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"elements": [
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"volume": 200.9908013792389,
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{
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"created_at": "2022-09-04T15:40:29.815893Z",
"updated_at": "2022-09-04T15:40:29.815918Z",
"structure_string": "Tm2 Mg4\n1.0\n5.402684 3.119241 8.822545\n-5.402684 3.119241 8.822545\n0.000000 -6.238482 8.822545\nMg Tm\n4 2\ndirect\n0.625000 0.625000 0.125000 Mg\n0.625000 0.125000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.499999 0.499999 0.499999 Tm\n0.750000 0.750000 0.750000 Tm\n",
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{
"id": "oqmd-1236739",
"created_at": "2022-09-04T15:40:28.487204Z",
"updated_at": "2022-09-04T15:40:28.487245Z",
"structure_string": "H4 Cl2\n1.0\n3.004643 1.734731 4.906561\n-3.004643 1.734731 4.906561\n0.000000 -3.469463 4.906561\nCl H\n2 4\ndirect\n0.000000 0.000000 0.000000 Cl\n0.250000 0.250000 0.250000 Cl\n0.125000 0.125000 0.125000 H\n0.625001 0.125000 0.125000 H\n0.125000 0.625001 0.125000 H\n0.125000 0.125000 0.625001 H\n",
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{
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"created_at": "2022-09-04T15:40:46.149119Z",
"updated_at": "2022-09-04T15:40:46.149131Z",
"structure_string": "K4 Ru2\n1.0\n5.062011 2.922553 8.266229\n-5.062011 2.922553 8.266229\n0.000000 -5.845107 8.266229\nK Ru\n4 2\ndirect\n0.625000 0.625000 0.125000 K\n0.625000 0.125000 0.625000 K\n0.125000 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"created_at": "2022-09-04T15:45:57.622054Z",
"updated_at": "2022-09-04T15:45:57.622070Z",
"structure_string": "K4 S2\n1.0\n0.000000 6.087759 6.087759\n6.087759 0.000000 6.087759\n6.087759 6.087759 0.000000\nK S\n4 2\ndirect\n0.125000 0.125000 0.125000 K\n0.625000 0.125000 0.125000 K\n0.125000 0.625000 0.125000 K\n0.125000 0.125000 0.625000 K\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n",
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{
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"structure_string": "Y2 Si4\n1.0\n4.715954 2.722758 7.701121\n-4.715954 2.722758 7.701121\n0.000000 -5.445515 7.701121\nSi Y\n4 2\ndirect\n0.624999 0.624999 0.125000 Si\n0.624999 0.125000 0.624999 Si\n0.125000 0.624999 0.624999 Si\n0.624999 0.624999 0.624999 Si\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Y\n",
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{
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"created_at": "2022-09-04T15:40:45.941006Z",
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"structure_string": "Mg4 Mo2\n1.0\n4.709112 2.718807 7.689948\n-4.709112 2.718807 7.689948\n0.000000 -5.437615 7.689948\nMg Mo\n4 2\ndirect\n0.625000 0.625000 0.124999 Mg\n0.625000 0.124999 0.625000 Mg\n0.124999 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.500000 0.500000 0.500000 Mo\n0.750000 0.750000 0.750000 Mo\n",
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