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{
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{
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{
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},
{
"id": "mp-1226375",
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{
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"structure_string": "Cr6 Rh2\n1.0\n4.637730 0.000000 0.000000\n0.000000 4.637730 0.000000\n0.000000 0.000000 4.637730\nCr Rh\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.750000 0.000000 0.500000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750000 Cr\n0.500000 0.750000 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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{
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{
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{
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{
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{
"id": "mp-705409",
"created_at": "2022-09-04T14:41:06.575532Z",
"structure_string": "Cr9 P12 O48\n1.0\n7.751419 0.000000 0.000000\n0.056780 8.796212 0.000000\n0.106485 1.049058 13.120794\nCr P O\n9 12 48\ndirect\n0.524404 0.673750 0.834067 Cr\n0.858064 0.094376 0.497835 Cr\n0.492446 0.340894 0.171382 Cr\n0.637005 0.927738 0.163757 Cr\n0.024264 0.827699 0.162737 Cr\n0.998650 0.160520 0.828167 Cr\n0.471435 0.994481 0.499846 Cr\n0.999613 0.505888 0.503034 Cr\n0.139692 0.572888 0.835474 Cr\n0.784799 0.807618 0.389348 P\n0.210217 0.860499 0.944340 P\n0.193626 0.197735 0.613876 P\n0.823710 0.145076 0.051904 P\n0.298052 0.030185 0.280864 P\n0.710990 0.640130 0.053213 P\n0.804218 0.470380 0.718084 P\n0.701091 0.981933 0.723113 P\n0.673027 0.311103 0.386022 P\n0.297688 0.684927 0.609712 P\n0.192004 0.520749 0.281049 P\n0.323835 0.356786 0.948189 P\n0.863048 0.303894 0.439311 O\n0.855905 0.301932 0.744027 O\n0.938896 0.576715 0.763231 O\n0.295051 0.649216 0.734157 O\n0.636217 0.135142 0.418913 O\n0.632498 0.138688 0.105552 O\n0.434085 0.578592 0.570846 O\n0.139645 0.365216 0.589416 O\n0.354479 0.195822 0.255990 O\n0.809633 0.501425 0.601498 O\n0.641768 0.815781 0.737727 O\n0.556358 0.427166 0.427830 O\n0.792118 0.848016 0.267546 O\n0.123348 0.997609 0.233623 O\n0.883515 0.998222 0.763767 O\n0.137914 0.686885 0.255338 O\n0.059561 0.407247 0.243306 O\n0.860769 0.969315 0.085203 O\n0.889256 0.662658 0.098462 O\n0.583153 0.763701 0.099388 O\n0.864354 0.650941 0.408846 O\n0.312868 0.334644 0.064621 O\n0.702690 0.016614 0.598217 O\n0.913690 0.928990 0.430162 O\n0.116910 0.669088 0.566342 O\n0.082614 0.739413 0.898819 O\n0.292248 0.996745 0.397661 O\n0.206392 0.827429 0.060563 O\n0.388984 0.838331 0.897745 O\n0.132341 0.018048 0.917060 O\n0.061384 0.089764 0.567251 O\n0.356321 0.851609 0.595938 O\n0.566058 0.089484 0.762120 O\n0.684379 0.331014 0.269593 O\n0.134769 0.361899 0.894241 O\n0.372023 0.164630 0.569844 O\n0.815942 0.167993 0.935606 O\n0.626859 0.503971 0.763485 O\n0.940174 0.259219 0.093703 O\n0.705550 0.673976 0.936996 O\n0.179601 0.484736 0.398258 O\n0.443162 0.241236 0.907631 O\n0.187357 0.166900 0.730485 O\n0.360638 0.532096 0.914518 O\n0.606269 0.829791 0.433676 O\n0.375285 0.500475 0.237937 O\n0.437179 0.922497 0.238008 O\n0.631278 0.484879 0.083140 O\n",
"nsites": 69,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 2.983979368160573,
"density_atomic": 0.07712800050858319,
"volume": 894.6167351028545,
"volume_molar": 7.807982471073946,
"formula_full": "Cr9 P12 O48",
"formula_reduced": "Cr3(PO4)4",
"formula_anonymous": "A3B4C16",
"energy": -548.18847251,
"energy_per_atom": -7.94476047115942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -497.22147251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.998104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.762000Z",
"spacegroup": 1
}
]
}