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{
"id": "mp-753564",
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"structure_string": "Sn12 O8 F8\n1.0\n5.608706 0.000000 0.000000\n0.000000 6.773762 0.000000\n0.000000 0.000000 15.532710\nSn O F\n12 8 8\ndirect\n0.250000 0.158634 0.035917 Sn\n0.250000 0.664647 0.099249 Sn\n0.750000 0.010435 0.181576 Sn\n0.250000 0.510435 0.318424 Sn\n0.750000 0.164647 0.400751 Sn\n0.750000 0.658634 0.464083 Sn\n0.250000 0.341366 0.535917 Sn\n0.250000 0.835353 0.599249 Sn\n0.750000 0.489565 0.681576 Sn\n0.250000 0.989565 0.818424 Sn\n0.750000 0.335353 0.900751 Sn\n0.750000 0.841366 0.964083 Sn\n0.500755 0.908397 0.081649 O\n0.999245 0.908397 0.081649 O\n0.000755 0.408397 0.418351 O\n0.499245 0.408397 0.418351 O\n0.500755 0.591603 0.581649 O\n0.999245 0.591603 0.581649 O\n0.000755 0.091603 0.918351 O\n0.499245 0.091603 0.918351 O\n0.750000 0.353079 0.036132 F\n0.250000 0.236555 0.258145 F\n0.750000 0.736555 0.241855 F\n0.250000 0.853079 0.463868 F\n0.750000 0.146921 0.536132 F\n0.250000 0.263445 0.758145 F\n0.750000 0.763445 0.741855 F\n0.250000 0.646921 0.963868 F\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.922116 0.000000 0.000000\n0.000000 9.846642 0.000000\n0.000000 1.697626 10.100280\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.250029 0.869512 Li\n0.500000 0.761730 0.624384 Li\n0.500000 0.244205 0.388912 Li\n0.000000 0.252438 0.618488 Li\n0.000000 0.753556 0.380538 Li\n0.000000 0.255695 0.128843 Li\n0.500000 0.739284 0.126356 Li\n0.000000 0.752770 0.864714 Li\n0.000000 0.995034 0.499628 Li\n0.000000 0.997724 0.999876 Mn\n0.500000 0.997370 0.258193 Mn\n0.000000 0.501988 0.749651 Co\n0.000000 0.497377 0.250757 Co\n0.500000 0.502131 0.499693 Co\n0.500000 0.499023 0.999616 Co\n0.500000 0.008832 0.723943 Co\n0.500000 0.105298 0.063982 O\n0.500000 0.614555 0.813087 O\n0.500000 0.127397 0.571818 O\n0.000000 0.105679 0.830480 O\n0.000000 0.615456 0.560449 O\n0.000000 0.110925 0.301143 O\n0.500000 0.612797 0.309123 O\n0.000000 0.613422 0.061907 O\n0.500000 0.387939 0.689275 O\n0.500000 0.884659 0.416245 O\n0.500000 0.382079 0.188890 O\n0.000000 0.386291 0.438080 O\n0.000000 0.892834 0.185706 O\n0.000000 0.384062 0.939614 O\n0.500000 0.885710 0.954260 O\n0.000000 0.881713 0.692837 O\n",
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{
"id": "mp-975802",
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"structure_string": "Pr1 Sb3\n1.0\n4.847980 0.000000 0.000000\n0.000000 4.847980 0.000000\n0.000000 0.000000 4.847980\nPr Sb\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
"id": "mp-1105404",
"created_at": "2022-09-04T14:39:49.319856Z",
"structure_string": "Mn7 Cd1 O12\n1.0\n0.000095 0.000025 -6.463515\n-0.000018 -6.160078 2.154529\n-5.334801 3.080038 2.154572\nMn Cd O\n7 1 12\ndirect\n0.499989 0.000008 0.500019 Mn\n0.000006 0.499989 0.499991 Mn\n0.500007 0.500000 0.000013 Mn\n0.999997 0.000015 0.499996 Mn\n0.499989 0.499993 0.499992 Mn\n0.999981 0.499984 0.999993 Mn\n0.500000 0.999999 0.999996 Mn\n0.000002 0.000001 0.000000 Cd\n0.131936 0.824009 0.327096 O\n0.804881 0.672952 0.496913 O\n0.307930 0.503093 0.175986 O\n0.868068 0.175993 0.672904 O\n0.195123 0.327050 0.503088 O\n0.692075 0.496909 0.824014 O\n0.525279 0.837722 0.702706 O\n0.822589 0.297304 0.135020 O\n0.687603 0.865004 0.162329 O\n0.474726 0.162280 0.297294 O\n0.177416 0.702698 0.864980 O\n0.312401 0.134998 0.837671 O\n",
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"spacegroup": 148
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{
"id": "mp-864839",
"created_at": "2022-09-04T14:40:17.528163Z",
"structure_string": "Zn2 Pd1 Rh1\n1.0\n0.000000 3.041948 3.041948\n3.041948 0.000000 3.041948\n3.041948 3.041948 0.000000\nZn Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-821906",
"created_at": "2022-09-04T14:39:49.097085Z",
"structure_string": "Sr7 Pr1 Fe4 Mo4 O24\n1.0\n5.618647 0.000000 0.000000\n-2.806680 -4.940254 0.000000\n0.012807 2.972184 -18.558422\nSr Pr Fe Mo O\n7 1 4 4 24\ndirect\n0.063524 0.744748 0.191633 Sr\n0.813808 0.749123 0.436796 Sr\n0.565933 0.751299 0.691035 Sr\n0.309323 0.756988 0.929933 Sr\n0.432349 0.250274 0.311859 Sr\n0.693618 0.248593 0.066501 Sr\n0.187577 0.250220 0.561355 Sr\n0.939851 0.254713 0.809693 Pr\n0.754789 0.001105 0.250543 Fe\n0.496219 0.999505 0.500455 Fe\n0.249799 0.995689 0.752153 Fe\n0.625655 0.507757 0.870729 Fe\n0.002386 0.007075 0.996330 Mo\n0.376463 0.501136 0.125550 Mo\n0.123990 0.497461 0.376231 Mo\n0.875453 0.499371 0.625120 Mo\n0.186652 0.261523 0.058792 O\n0.927635 0.246098 0.313901 O\n0.693201 0.244941 0.563982 O\n0.445331 0.249641 0.812319 O\n0.607404 0.285182 0.177214 O\n0.365921 0.288466 0.428497 O\n0.109276 0.301060 0.676542 O\n0.872077 0.296145 0.919347 O\n0.671809 0.809138 0.046935 O\n0.397818 0.773651 0.306730 O\n0.157616 0.788741 0.552461 O\n0.906352 0.825494 0.801614 O\n0.556764 0.749505 0.187264 O\n0.320714 0.746464 0.439586 O\n0.053381 0.740061 0.690748 O\n0.813030 0.758987 0.934220 O\n0.088359 0.197968 0.200196 O\n0.853698 0.215489 0.447676 O\n0.603926 0.206451 0.702336 O\n0.339806 0.202818 0.949631 O\n0.133873 0.712990 0.072325 O\n0.882660 0.704022 0.323970 O\n0.647791 0.701920 0.575339 O\n0.354170 0.678187 0.822458 O\n",
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"formula_full": "Sr7 Pr1 Fe4 Mo4 O24",
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{
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"structure_string": "Fe8 O2 F14\n1.0\n4.816864 0.000000 0.000000\n0.030260 5.831245 0.000000\n0.056533 1.425519 10.724853\nFe O F\n8 2 14\ndirect\n0.475983 0.853044 0.375022 Fe\n0.512797 0.378004 0.866947 Fe\n0.524017 0.146956 0.624978 Fe\n0.487203 0.621996 0.133053 Fe\n0.004753 0.127493 0.124531 Fe\n0.011491 0.387216 0.370721 Fe\n0.988509 0.612784 0.629279 Fe\n0.995247 0.872507 0.875469 Fe\n0.308812 0.615840 0.308428 O\n0.691188 0.384160 0.691572 O\n0.195095 0.338793 0.549259 F\n0.206821 0.103898 0.303279 F\n0.196040 0.601187 0.798264 F\n0.203301 0.855290 0.048757 F\n0.303752 0.350233 0.046353 F\n0.299597 0.084501 0.787676 F\n0.310500 0.857032 0.546841 F\n0.696248 0.649767 0.953647 F\n0.689500 0.142968 0.453159 F\n0.700403 0.915499 0.212324 F\n0.793179 0.896102 0.696721 F\n0.796699 0.144710 0.951243 F\n0.803960 0.398813 0.201736 F\n0.804905 0.661207 0.450741 F\n",
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{
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{
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{
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{
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"formula_full": "Sm2 Ni4",
"formula_reduced": "SmNi2",
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"updated_at": "2021-11-28T01:34:42.111000Z",
"spacegroup": 227
},
{
"id": "mp-763950",
"created_at": "2022-09-04T14:39:49.122225Z",
"structure_string": "V6 O10 F2\n1.0\n3.238449 4.470851 0.000000\n-3.238449 4.470851 0.000000\n0.000000 3.151220 6.692934\nV O F\n6 10 2\ndirect\n0.826363 0.826363 0.645559 V\n0.500000 0.500000 0.500000 V\n0.811288 0.811288 0.175362 V\n0.500000 0.500000 0.000000 V\n0.173637 0.173637 0.354441 V\n0.188712 0.188712 0.824638 V\n0.800366 0.199634 0.500000 O\n0.135741 0.534493 0.163517 O\n0.396506 0.396506 0.808031 O\n0.737577 0.737577 0.457592 O\n0.262423 0.262423 0.542408 O\n0.603494 0.603494 0.191969 O\n0.864259 0.465507 0.836483 O\n0.199634 0.800366 0.500000 O\n0.534493 0.135741 0.163517 O\n0.465507 0.864259 0.836483 O\n0.061815 0.061815 0.130186 F\n0.938185 0.938185 0.869814 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.315144558715884,
"density_atomic": 0.09287497473386343,
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"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
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"is_magnetic": true,
"total_magnetization": 8.0,
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"updated_at": "2021-11-28T01:34:42.609000Z",
"spacegroup": 12
}
]
}