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{
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{
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"structure_string": "Cu4 Te8 Cl4\n1.0\n5.162165 0.000000 0.000000\n0.000000 8.241941 0.000000\n0.000000 5.581207 11.085934\nCu Te Cl\n4 8 4\ndirect\n0.861004 0.830131 0.747909 Cu\n0.361004 0.169869 0.752091 Cu\n0.138996 0.169869 0.252091 Cu\n0.638996 0.830131 0.247909 Cu\n0.203077 0.585209 0.855023 Te\n0.703077 0.414791 0.644977 Te\n0.796923 0.414791 0.144977 Te\n0.296923 0.585209 0.355023 Te\n0.022512 0.270506 0.859250 Te\n0.522512 0.729494 0.640750 Te\n0.977488 0.729494 0.140750 Te\n0.477488 0.270506 0.359250 Te\n0.111879 0.084921 0.627403 Cl\n0.611879 0.915079 0.872597 Cl\n0.888121 0.915079 0.372597 Cl\n0.388121 0.084921 0.127403 Cl\n",
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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Nd6 Sn26 Ir8\n1.0\n9.823808 0.000000 0.000000\n0.000000 9.823808 0.000000\n0.000000 0.000000 9.823808\nNd Sn Ir\n6 26 8\ndirect\n0.500000 0.000000 0.750000 Nd\n0.000000 0.250000 0.500000 Nd\n0.750000 0.500000 0.000000 Nd\n0.500000 0.000000 0.250000 Nd\n0.000000 0.750000 0.500000 Nd\n0.250000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.652521 0.194335 0.500000 Sn\n0.805665 0.500000 0.652521 Sn\n0.500000 0.347479 0.805665 Sn\n0.347479 0.805665 0.500000 Sn\n0.194335 0.500000 0.347479 Sn\n0.500000 0.652521 0.194335 Sn\n0.652521 0.805665 0.500000 Sn\n0.805665 0.500000 0.347479 Sn\n0.347479 0.194335 0.500000 Sn\n0.194335 0.500000 0.652521 Sn\n0.500000 0.652521 0.805665 Sn\n0.500000 0.347479 0.194335 Sn\n0.152521 0.000000 0.694335 Sn\n0.305665 0.152521 0.000000 Sn\n0.000000 0.305665 0.847479 Sn\n0.847479 0.000000 0.305665 Sn\n0.694335 0.847479 0.000000 Sn\n0.000000 0.694335 0.152521 Sn\n0.152521 0.000000 0.305665 Sn\n0.305665 0.847479 0.000000 Sn\n0.847479 0.000000 0.694335 Sn\n0.694335 0.152521 0.000000 Sn\n0.000000 0.305665 0.152521 Sn\n0.000000 0.694335 0.847479 Sn\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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"updated_at": "2021-11-28T01:36:33.670000Z",
"spacegroup": 223
},
{
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"created_at": "2022-09-04T14:44:53.413520Z",
"structure_string": "Np4 Se8 O24\n1.0\n10.927974 0.000000 0.000000\n0.000000 7.075021 0.000000\n0.000000 5.008812 7.073269\nNp Se O\n4 8 24\ndirect\n0.596514 0.747601 0.494633 Np\n0.096514 0.252399 0.005367 Np\n0.903486 0.747601 0.994633 Np\n0.403486 0.252399 0.505367 Np\n0.422633 0.285268 0.930630 Se\n0.922633 0.714732 0.569370 Se\n0.286255 0.812499 0.425349 Se\n0.786255 0.187501 0.074651 Se\n0.213745 0.812499 0.925349 Se\n0.713745 0.187501 0.574651 Se\n0.077367 0.285268 0.430630 Se\n0.577367 0.714732 0.069370 Se\n0.398802 0.618460 0.450459 O\n0.015381 0.474394 0.712530 O\n0.592635 0.844355 0.187494 O\n0.779614 0.581144 0.618634 O\n0.279614 0.418856 0.881366 O\n0.901892 0.004992 0.085952 O\n0.515381 0.525606 0.787470 O\n0.246053 0.956818 0.192279 O\n0.746053 0.043182 0.307721 O\n0.101198 0.618460 0.950459 O\n0.401892 0.995008 0.414048 O\n0.907365 0.844355 0.687494 O\n0.092635 0.155645 0.312506 O\n0.598108 0.004992 0.585952 O\n0.898802 0.381540 0.049541 O\n0.253947 0.956818 0.692279 O\n0.753947 0.043182 0.807721 O\n0.484619 0.474394 0.212530 O\n0.098108 0.995008 0.914048 O\n0.720386 0.581144 0.118634 O\n0.220386 0.418856 0.381366 O\n0.407365 0.155645 0.812506 O\n0.984619 0.525606 0.287470 O\n0.601198 0.381540 0.549541 O\n",
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"elements": [
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"chemical_system": "Np-O-Se",
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"formula_full": "Np4 Se8 O24",
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"updated_at": "2021-11-28T01:36:45.681000Z",
"spacegroup": 14
},
{
"id": "mp-569442",
"created_at": "2022-09-04T14:44:44.433389Z",
"structure_string": "Rb2 Au2 Cl8\n1.0\n3.043174 6.429602 0.000000\n-3.043174 6.429602 0.000000\n0.000000 2.216940 10.093548\nRb Au Cl\n2 2 8\ndirect\n0.225931 0.774069 0.250000 Rb\n0.774069 0.225931 0.750000 Rb\n0.000000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.202559 0.664787 0.931428 Cl\n0.268947 0.195278 0.857868 Cl\n0.335213 0.797441 0.568572 Cl\n0.797441 0.335213 0.068572 Cl\n0.731053 0.804722 0.142132 Cl\n0.804722 0.731053 0.642132 Cl\n0.195278 0.268947 0.357868 Cl\n0.664787 0.202559 0.431428 Cl\n",
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],
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"density": 3.5670771590585133,
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"volume": 394.98874746720503,
"volume_molar": 19.82231529886335,
"formula_full": "Rb2 Au2 Cl8",
"formula_reduced": "RbAuCl4",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:36:39.888000Z",
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}
]
}