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{
"id": "jvasp-94969",
"created_at": "2022-09-04T14:35:49.572129Z",
"updated_at": "2022-09-04T14:35:49.572137Z",
"structure_string": "Dy1 Mn2 O4\n1.0\n-1.788859 -3.098396 -0.000000\n1.788859 -3.098396 -0.000000\n0.000000 -2.065598 8.155598\nDy Mn O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.213219 0.213219 0.360342 Mn\n0.786782 0.786782 0.639658 Mn\n0.292125 0.292125 0.123627 O\n0.707877 0.707877 0.876373 O\n0.129229 0.129229 0.612316 O\n0.870773 0.870773 0.387684 O\n",
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{
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"structure_string": "Ca1 Be2 Pb1\n1.0\n4.348901 0.000000 0.000000\n0.000000 4.348901 0.000000\n0.000000 -0.000000 4.102876\nCa Be Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Pb\n",
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{
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"updated_at": "2022-09-04T14:35:49.570645Z",
"structure_string": "Tl8 Pb2 I12\n1.0\n4.593668 0.000000 0.000000\n0.000000 9.938296 0.000000\n0.000000 0.000000 19.209729\nTl Pb I\n8 2 12\ndirect\n0.500000 0.893653 0.580136 Tl\n0.500000 0.106347 0.419864 Tl\n0.500000 0.707252 0.795529 Tl\n0.500000 0.292749 0.204471 Tl\n0.500000 0.207251 0.704471 Tl\n0.500000 0.792749 0.295529 Tl\n0.500000 0.606347 0.080136 Tl\n0.500000 0.393653 0.919865 Tl\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.306101 0.054633 I\n0.000000 0.591154 0.213850 I\n0.000000 0.806101 0.445367 I\n0.500000 0.058993 0.883497 I\n0.500000 0.941008 0.116503 I\n0.500000 0.558993 0.616503 I\n0.500000 0.441007 0.383497 I\n0.000000 0.908847 0.713850 I\n0.000000 0.091153 0.286150 I\n0.000000 0.408847 0.786151 I\n0.000000 0.193899 0.554633 I\n0.000000 0.693900 0.945367 I\n",
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"density_atomic": 0.025085912962060804,
"volume": 876.9862206439188,
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"formula_full": "Tl8 Pb2 I12",
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"spacegroup": 55
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{
"id": "jvasp-105671",
"created_at": "2022-09-04T14:35:49.567933Z",
"updated_at": "2022-09-04T14:35:49.567955Z",
"structure_string": "Rb2 Ag1 Sb1 Br6\n1.0\n6.824367 -0.000000 3.940050\n2.274789 6.434074 3.940050\n0.000000 -0.000000 7.880100\nRb Ag Sb Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.748883 0.251117 0.251118 Br\n0.251118 0.251117 0.748882 Br\n0.251118 0.748882 0.748882 Br\n0.251118 0.748882 0.251118 Br\n0.748883 0.251117 0.748882 Br\n0.748883 0.748882 0.251118 Br\n",
"nsites": 10,
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"density": 4.22323836359327,
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"formula_full": "Rb2 Ag1 Sb1 Br6",
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{
"id": "jvasp-49776",
"created_at": "2022-09-04T14:35:49.566560Z",
"updated_at": "2022-09-04T14:35:49.566573Z",
"structure_string": "Na6 Cu2 O4\n1.0\n-5.298335 0.000125 -0.003956\n-0.000172 -5.943557 -0.002165\n2.645408 2.969214 5.251532\nNa Cu O\n6 2 4\ndirect\n0.764659 0.512354 0.524684 Na\n0.502801 0.250449 0.000925 Na\n0.502739 0.750448 0.000926 Na\n0.764725 0.012347 0.524682 Na\n0.240892 0.488501 0.477143 Na\n0.240965 0.988501 0.477174 Na\n0.002776 0.000425 0.000925 Cu\n0.002781 0.500444 0.000917 Cu\n0.875661 0.626848 0.253727 O\n0.382712 0.126839 0.253731 O\n0.622854 0.874037 0.748116 O\n0.129906 0.374043 0.748116 O\n",
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"formula_anonymous": "AB2C3",
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"spacegroup": 72
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{
"id": "jvasp-88921",
"created_at": "2022-09-04T14:35:49.565352Z",
"updated_at": "2022-09-04T14:35:49.565375Z",
"structure_string": "La3 Pb1 C1\n1.0\n5.229141 0.000000 -0.000000\n0.000000 5.229141 0.000000\n0.000000 0.000000 5.229141\nLa Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
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{
"id": "jvasp-88067",
"created_at": "2022-09-04T14:35:49.564368Z",
"updated_at": "2022-09-04T14:35:49.564404Z",
"structure_string": "Ti4 S4 O20\n1.0\n5.276293 -0.000000 0.000000\n-0.000000 6.609215 0.000000\n0.000000 0.000000 11.168039\nTi S O\n4 4 20\ndirect\n0.250000 0.841737 0.056716 Ti\n0.750000 0.341737 0.443284 Ti\n0.250000 0.658262 0.556716 Ti\n0.750000 0.158262 0.943284 Ti\n0.250000 0.476804 0.844367 S\n0.750000 0.523194 0.155633 S\n0.750000 0.976805 0.655633 S\n0.250000 0.023196 0.344367 S\n0.750000 0.480279 0.285520 O\n0.750000 0.173896 0.592572 O\n0.519296 0.864568 0.626126 O\n0.500000 0.000000 0.000000 O\n0.980703 0.864568 0.626126 O\n0.480704 0.364569 0.873874 O\n0.000000 0.000000 0.000000 O\n0.019296 0.135431 0.373874 O\n0.750000 0.019720 0.785520 O\n0.480704 0.135431 0.373874 O\n0.750000 0.326104 0.092572 O\n0.980703 0.635431 0.126126 O\n0.000000 0.500000 0.500000 O\n0.019296 0.364569 0.873874 O\n0.250000 0.826104 0.407428 O\n0.250000 0.980279 0.214480 O\n0.500000 0.500000 0.500000 O\n0.250000 0.673895 0.907428 O\n0.519296 0.635431 0.126126 O\n0.250000 0.519720 0.714480 O\n",
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"volume": 389.4535852671029,
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"formula_full": "Ti4 S4 O20",
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{
"id": "jvasp-70062",
"created_at": "2022-09-04T14:35:49.563683Z",
"updated_at": "2022-09-04T14:35:49.563698Z",
"structure_string": "Be2 Zn1 Re1\n1.0\n-1.816852 1.816852 3.472724\n1.816852 -1.816852 3.472724\n1.816852 1.816852 -3.472724\nBe Zn Re\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n0.749999 0.250000 0.500000 Zn\n0.250000 0.749999 0.500000 Re\n",
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},
{
"id": "jvasp-98801",
"created_at": "2022-09-04T14:35:49.560925Z",
"updated_at": "2022-09-04T14:35:49.560951Z",
"structure_string": "V4 Cd2 P4 O20\n1.0\n6.629686 0.040839 -1.477299\n-3.406443 5.687754 -1.477299\n-0.001115 -0.001982 8.783906\nV Cd P O\n4 2 4 20\ndirect\n0.088395 0.363835 0.737122 V\n0.613836 0.838393 0.237122 V\n0.626714 0.351272 0.262879 V\n0.601273 0.376713 0.762879 V\n0.998826 0.998824 -0.000000 Cd\n0.248825 0.748824 0.500000 Cd\n0.785900 0.786214 0.583764 P\n0.036214 0.535898 0.083764 P\n0.202451 0.202135 0.416236 P\n0.452136 0.952450 0.916236 P\n0.278945 0.751691 0.193411 O\n0.965152 0.986484 0.297830 O\n0.637687 0.917531 0.029067 O\n0.575814 0.571732 0.164488 O\n0.917322 0.438654 0.202170 O\n0.382951 0.097197 0.034467 O\n0.598485 0.812730 0.465533 O\n0.407246 0.411325 0.835513 O\n0.335533 0.308280 0.306589 O\n0.688656 0.667321 0.702170 O\n0.062731 0.348484 0.965534 O\n0.821734 0.325813 0.664488 O\n0.558281 0.085533 0.806589 O\n0.167532 0.387686 0.529068 O\n0.001692 0.028944 0.693412 O\n0.858620 0.638464 0.470933 O\n0.888466 0.608619 0.970933 O\n0.347198 0.132951 0.534467 O\n0.661326 0.157245 0.335512 O\n0.236486 0.715151 0.797831 O\n",
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{
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"structure_string": "Ca3 Si1 Br2\n1.0\n4.363838 0.064290 10.666128\n2.149699 3.798158 10.666128\n0.108418 0.064290 11.523784\nCa Si Br\n3 1 2\ndirect\n0.124154 0.124154 0.124154 Ca\n0.000000 0.000000 0.000000 Ca\n0.875847 0.875846 0.875845 Ca\n0.500000 0.500000 0.499999 Si\n0.714702 0.714702 0.714701 Br\n0.285298 0.285298 0.285298 Br\n",
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{
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{
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}