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{
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{
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{
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{
"id": "mp-1520837",
"created_at": "2022-09-04T14:40:54.326290Z",
"structure_string": "Ba1 Y1 Nb1 Sn1 O6\n1.0\n-0.000000 -4.249123 -4.249123\n4.249123 0.000000 -4.249123\n4.249123 -4.249123 -0.000000\nBa Y Nb Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Sn\n0.763189 0.236811 0.236811 O\n0.236811 0.763189 0.763189 O\n0.763189 0.236811 0.763189 O\n0.236811 0.763189 0.236811 O\n0.763189 0.763189 0.236811 O\n0.236811 0.236811 0.763189 O\n",
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{
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{
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"structure_string": "Mg4 Ir8\n1.0\n2.606239 -4.514138 0.000000\n2.606239 4.514138 0.000000\n0.000000 0.000000 8.453040\nMg Ir\n4 8\ndirect\n0.333333 0.666667 0.069374 Mg\n0.666667 0.333333 0.569374 Mg\n0.666667 0.333333 0.930626 Mg\n0.333333 0.666667 0.430626 Mg\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.828138 0.656276 0.250000 Ir\n0.171862 0.828138 0.750000 Ir\n0.656276 0.828138 0.750000 Ir\n0.343724 0.171862 0.250000 Ir\n0.828138 0.171862 0.250000 Ir\n0.171862 0.343724 0.750000 Ir\n",
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{
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{
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{
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{
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"elements": [
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{
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"structure_string": "Zn24 Au40\n1.0\n-2.821993 5.623652 16.975133\n2.821993 -5.623652 16.975133\n2.821993 5.623652 -16.975133\nZn Au\n24 40\ndirect\n0.328968 0.400209 0.353906 Zn\n0.671032 0.599791 0.646094 Zn\n0.046303 0.975062 0.646094 Zn\n0.453697 0.099791 0.928759 Zn\n0.953697 0.024938 0.353906 Zn\n0.546303 0.900209 0.071241 Zn\n0.171032 0.524938 0.071241 Zn\n0.828968 0.475062 0.928759 Zn\n0.422651 0.351529 0.646920 Zn\n0.577349 0.648471 0.353080 Zn\n0.704609 0.775731 0.353080 Zn\n0.795391 0.148471 0.071122 Zn\n0.295391 0.224269 0.646920 Zn\n0.204609 0.851529 0.928878 Zn\n0.077349 0.724269 0.928878 Zn\n0.922651 0.275731 0.071122 Zn\n0.624607 0.124607 0.500000 Zn\n0.375393 0.875393 0.500000 Zn\n0.875393 0.375393 0.500000 Zn\n0.124607 0.624607 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.383077 0.125296 0.258441 Au\n0.616923 0.874704 0.741559 Au\n0.866855 0.124636 0.741559 Au\n0.633145 0.374704 0.257781 Au\n0.133145 0.875364 0.258441 Au\n0.366855 0.625296 0.742219 Au\n0.116923 0.375364 0.742219 Au\n0.883077 0.624636 0.257781 Au\n0.164769 0.350764 0.392935 Au\n0.835231 0.649236 0.607065 Au\n0.957829 0.771834 0.607065 Au\n0.542171 0.149236 0.814005 Au\n0.042171 0.228166 0.392935 Au\n0.457829 0.850764 0.185995 Au\n0.335231 0.728166 0.185995 Au\n0.664769 0.271834 0.814005 Au\n0.415168 0.598496 0.388238 Au\n0.584832 0.401504 0.611762 Au\n0.210258 0.026930 0.611762 Au\n0.289742 0.901504 0.816672 Au\n0.789742 0.973070 0.388238 Au\n0.710258 0.098496 0.183328 Au\n0.084832 0.473070 0.183328 Au\n0.915168 0.526930 0.816672 Au\n0.256968 0.038590 0.295558 Au\n0.743032 0.961410 0.704442 Au\n0.756968 0.461410 0.218378 Au\n0.243032 0.538590 0.781622 Au\n0.124829 0.124829 0.000000 Au\n0.875171 0.875171 0.000000 Au\n0.375171 0.375171 0.000000 Au\n0.624829 0.624829 0.000000 Au\n0.507768 0.250000 0.257768 Au\n0.492232 0.750000 0.742232 Au\n0.992232 0.250000 0.742232 Au\n0.007768 0.750000 0.257768 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.250000 0.250000 0.000000 Au\n0.750000 0.750000 0.000000 Au\n",
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"formula_full": "Zn24 Au40",
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"spacegroup": 72
},
{
"id": "mp-769173",
"created_at": "2022-09-04T14:40:54.379422Z",
"structure_string": "Pr2 O2 F2\n1.0\n6.807493 -2.007012 0.000000\n6.807493 2.007012 0.000000\n6.215778 0.000000 3.425516\nPr O F\n2 2 2\ndirect\n0.241467 0.241467 0.241467 Pr\n0.758533 0.758533 0.758533 Pr\n0.122255 0.122255 0.122255 O\n0.877745 0.877745 0.877745 O\n0.370614 0.370614 0.370614 F\n0.629386 0.629386 0.629386 F\n",
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"elements": [
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"O",
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],
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"density": 6.241158723918949,
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"formula_full": "Pr2 O2 F2",
"formula_reduced": "PrOF",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:57.615000Z",
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}
]
}