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{
"id": "mp-752685",
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{
"id": "mp-1755",
"created_at": "2022-09-04T14:42:39.438910Z",
"structure_string": "Zn4 Au12\n1.0\n2.899827 -8.361552 0.000000\n2.899827 8.361552 0.000000\n0.000000 0.000000 5.711258\nZn Au\n4 12\ndirect\n0.636169 0.363831 0.000000 Zn\n0.363831 0.636169 0.000000 Zn\n0.136169 0.863831 0.500000 Zn\n0.863831 0.136169 0.500000 Zn\n0.682679 0.682679 0.181478 Au\n0.182679 0.182679 0.318522 Au\n0.817321 0.817321 0.681478 Au\n0.380802 0.619198 0.500000 Au\n0.997890 0.497890 0.750000 Au\n0.880802 0.119198 0.000000 Au\n0.002110 0.502110 0.250000 Au\n0.317321 0.317321 0.818522 Au\n0.619198 0.380802 0.500000 Au\n0.119198 0.880802 0.000000 Au\n0.502110 0.002110 0.250000 Au\n0.497890 0.997890 0.750000 Au\n",
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{
"id": "mp-556737",
"created_at": "2022-09-04T14:42:39.445317Z",
"structure_string": "Pr12 Ti4 S14 O12\n1.0\n3.932725 0.000000 0.000000\n0.000000 12.140152 0.000000\n0.000000 2.242754 16.529855\nPr Ti S O\n12 4 14 12\ndirect\n0.750000 0.406347 0.119206 Pr\n0.250000 0.935823 0.891570 Pr\n0.250000 0.593653 0.880794 Pr\n0.250000 0.281146 0.876524 Pr\n0.750000 0.023995 0.375850 Pr\n0.250000 0.525945 0.290921 Pr\n0.250000 0.322068 0.527195 Pr\n0.750000 0.718854 0.123476 Pr\n0.750000 0.677932 0.472805 Pr\n0.750000 0.064177 0.108430 Pr\n0.750000 0.474055 0.709079 Pr\n0.250000 0.976005 0.624150 Pr\n0.250000 0.221865 0.235538 Ti\n0.750000 0.203332 0.687283 Ti\n0.250000 0.796668 0.312717 Ti\n0.750000 0.778135 0.764462 Ti\n0.250000 0.202736 0.374273 S\n0.750000 0.447514 0.420068 S\n0.750000 0.115842 0.537085 S\n0.250000 0.003115 0.244810 S\n0.250000 0.552486 0.579932 S\n0.750000 0.098870 0.932467 S\n0.250000 0.578706 0.058737 S\n0.250000 0.901130 0.067533 S\n0.750000 0.766371 0.929020 S\n0.750000 0.797264 0.625727 S\n0.750000 0.996885 0.755190 S\n0.250000 0.884158 0.462915 S\n0.750000 0.421294 0.941263 S\n0.250000 0.233629 0.070980 S\n0.250000 0.180590 0.671254 O\n0.750000 0.628135 0.789172 O\n0.250000 0.794278 0.782868 O\n0.250000 0.451720 0.786131 O\n0.750000 0.332881 0.614291 O\n0.750000 0.548280 0.213869 O\n0.250000 0.667119 0.385709 O\n0.750000 0.272932 0.777047 O\n0.250000 0.727068 0.222953 O\n0.250000 0.371865 0.210828 O\n0.750000 0.819410 0.328746 O\n0.750000 0.205722 0.217132 O\n",
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"formula_full": "Pr12 Ti4 S14 O12",
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},
{
"id": "mp-1048504",
"created_at": "2022-09-04T14:42:40.369494Z",
"structure_string": "Ba2 Al1 Fe3 O7\n1.0\n3.681977 0.000000 0.000000\n0.106116 4.491827 0.000000\n0.477972 0.561831 11.050004\nBa Al Fe O\n2 1 3 7\ndirect\n0.485307 0.478583 0.183167 Ba\n0.514441 0.521859 0.816595 Ba\n0.506001 0.501221 0.501248 Al\n0.959305 0.960104 0.365199 Fe\n0.044531 0.040518 0.632452 Fe\n0.999610 0.000344 0.000345 Fe\n0.000262 0.499734 0.001474 O\n0.460838 0.818877 0.392792 O\n0.540246 0.182880 0.607147 O\n0.896026 0.374984 0.395146 O\n0.096310 0.621932 0.600165 O\n0.000699 0.973879 0.181140 O\n0.996423 0.025086 0.823132 O\n",
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"volume": 182.75384706208274,
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"formula_full": "Ba2 Al1 Fe3 O7",
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{
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"created_at": "2022-09-04T14:42:40.374501Z",
"structure_string": "Fe1 Se1\n1.0\n3.044002 0.000000 0.000000\n0.000000 3.044002 0.000000\n0.000000 0.000000 3.044002\nFe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Se\n",
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{
"id": "mp-758562",
"created_at": "2022-09-04T14:42:39.362503Z",
"structure_string": "Li6 Fe6 Si6 O24\n1.0\n5.082552 -6.967374 0.000000\n5.082552 6.967374 0.000000\n-4.468615 0.000000 7.376186\nLi Fe Si O\n6 6 6 24\ndirect\n0.893123 0.126558 0.724371 Li\n0.433597 0.210946 0.607321 Li\n0.607321 0.433597 0.210946 Li\n0.724371 0.893123 0.126558 Li\n0.210946 0.607321 0.433597 Li\n0.126558 0.724371 0.893123 Li\n0.458353 0.054510 0.234288 Fe\n0.768436 0.534311 0.945155 Fe\n0.945155 0.768436 0.534311 Fe\n0.054510 0.234288 0.458353 Fe\n0.234288 0.458353 0.054510 Fe\n0.534311 0.945155 0.768436 Fe\n0.873166 0.280585 0.096891 Si\n0.795752 0.387596 0.567662 Si\n0.280585 0.096891 0.873166 Si\n0.387596 0.567662 0.795752 Si\n0.567662 0.795752 0.387596 Si\n0.096891 0.873166 0.280585 Si\n0.986722 0.307969 0.976052 O\n0.729573 0.064221 0.007816 O\n0.908986 0.264873 0.579558 O\n0.760403 0.404013 0.087400 O\n0.936226 0.599912 0.635426 O\n0.635308 0.300858 0.359537 O\n0.404013 0.087400 0.760403 O\n0.696246 0.377635 0.702343 O\n0.306369 0.020538 0.351977 O\n0.064221 0.007816 0.729573 O\n0.351977 0.306369 0.020538 O\n0.702343 0.696246 0.377635 O\n0.976052 0.986722 0.307969 O\n0.599912 0.635426 0.936226 O\n0.300858 0.359537 0.635308 O\n0.359537 0.635308 0.300858 O\n0.635426 0.936226 0.599912 O\n0.264873 0.579558 0.908986 O\n0.377635 0.702343 0.696246 O\n0.020538 0.351977 0.306369 O\n0.579558 0.908986 0.264873 O\n0.307969 0.976052 0.986722 O\n0.087400 0.760403 0.404013 O\n0.007816 0.729573 0.064221 O\n",
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{
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{
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"structure_string": "K2 Ce2 W4 O16\n1.0\n5.482038 5.203678 0.000000\n-5.482038 5.203678 0.000000\n0.000000 4.472591 6.197023\nK Ce W O\n2 2 4 16\ndirect\n0.689176 0.689176 0.472396 K\n0.310824 0.310824 0.527604 K\n0.700977 0.299023 0.000000 Ce\n0.299023 0.700977 0.000000 Ce\n0.205238 0.205238 0.057091 W\n0.794762 0.794762 0.942909 W\n0.839047 0.160953 0.500000 W\n0.160953 0.839047 0.500000 W\n0.346116 0.094831 0.259314 O\n0.653884 0.905169 0.740686 O\n0.905169 0.653884 0.740686 O\n0.094831 0.346116 0.259314 O\n0.691882 0.214912 0.354665 O\n0.308118 0.785088 0.645335 O\n0.785088 0.308118 0.645335 O\n0.214912 0.691882 0.354665 O\n0.706210 0.960057 0.062934 O\n0.293790 0.039943 0.937066 O\n0.039943 0.293790 0.937066 O\n0.960057 0.706210 0.062934 O\n0.983052 0.983052 0.345450 O\n0.016948 0.016948 0.654550 O\n0.572628 0.572628 0.110871 O\n0.427372 0.427372 0.889129 O\n",
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{
"id": "mp-1228476",
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"structure_string": "Ba6 In4 W2 O18\n1.0\n-2.987347 4.229294 8.975320\n2.987347 -4.229294 8.975320\n2.987347 4.229294 -8.975320\nBa In W O\n6 4 2 18\ndirect\n0.580194 0.838917 0.741277 Ba\n0.265725 0.500000 0.765725 Ba\n0.902359 0.161083 0.741277 Ba\n0.097641 0.838917 0.258723 Ba\n0.734275 0.500000 0.234275 Ba\n0.419806 0.161083 0.258723 Ba\n0.330689 0.330689 0.000000 In\n0.000000 0.000000 0.000000 In\n0.669311 0.669311 0.000000 In\n0.500000 0.000000 0.500000 In\n0.167506 0.667506 0.500000 W\n0.832494 0.332494 0.500000 W\n0.597940 0.329692 0.268247 O\n0.241473 0.000000 0.241473 O\n0.938555 0.670308 0.268247 O\n0.909191 0.639341 0.730150 O\n0.586990 0.336273 0.749283 O\n0.244605 0.981292 0.736687 O\n0.755395 0.492083 0.736687 O\n0.413010 0.162293 0.749283 O\n0.090809 0.820959 0.730150 O\n0.061445 0.329692 0.731753 O\n0.758527 0.000000 0.758527 O\n0.402060 0.670308 0.731753 O\n0.755395 0.018708 0.263313 O\n0.413010 0.663727 0.250717 O\n0.090809 0.360659 0.269850 O\n0.909191 0.179041 0.269850 O\n0.586990 0.837707 0.250717 O\n0.244605 0.507917 0.263313 O\n",
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},
{
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"created_at": "2022-09-04T14:42:39.427266Z",
"structure_string": "Ho2 Ga1 Os1\n1.0\n0.000000 3.465258 3.465258\n3.465258 0.000000 3.465258\n3.465258 3.465258 0.000000\nHo Ga Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Os\n",
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"elements": [
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],
"chemical_system": "Ga-Ho-Os",
"density": 11.768664688036587,
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"formula_full": "Ho2 Ga1 Os1",
"formula_reduced": "Ho2GaOs",
"formula_anonymous": "ABC2",
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},
{
"id": "mp-1196714",
"created_at": "2022-09-04T14:42:39.725797Z",
"structure_string": "Rb4 Th8 F36\n1.0\n7.262810 0.000000 0.000000\n0.000000 8.979101 0.000000\n0.000000 0.000000 12.020103\nRb Th F\n4 8 36\ndirect\n0.639056 0.966178 0.250000 Rb\n0.860944 0.466178 0.250000 Rb\n0.360944 0.033822 0.750000 Rb\n0.139056 0.533822 0.750000 Rb\n0.151568 0.825146 0.448602 Th\n0.348432 0.325146 0.051398 Th\n0.848432 0.174854 0.948602 Th\n0.651568 0.674854 0.551398 Th\n0.848432 0.174854 0.551398 Th\n0.651568 0.674854 0.948602 Th\n0.151568 0.825146 0.051398 Th\n0.348432 0.325146 0.448602 Th\n0.426466 0.493901 0.595695 F\n0.073534 0.993901 0.904305 F\n0.573534 0.506099 0.095695 F\n0.926466 0.006099 0.404305 F\n0.573534 0.506099 0.404305 F\n0.926466 0.006099 0.095695 F\n0.426466 0.493901 0.904305 F\n0.073534 0.993901 0.595695 F\n0.466976 0.786478 0.093122 F\n0.033024 0.286478 0.406878 F\n0.533024 0.213522 0.593122 F\n0.966976 0.713522 0.906878 F\n0.533024 0.213522 0.906878 F\n0.966976 0.713522 0.593122 F\n0.466976 0.786478 0.406878 F\n0.033024 0.286478 0.093122 F\n0.352499 0.779238 0.603366 F\n0.147501 0.279238 0.896634 F\n0.647501 0.220762 0.103366 F\n0.852499 0.720762 0.396634 F\n0.647501 0.220762 0.396634 F\n0.852499 0.720762 0.103366 F\n0.352499 0.779238 0.896634 F\n0.147501 0.279238 0.603366 F\n0.195517 0.563172 0.420626 F\n0.304483 0.063172 0.079374 F\n0.804483 0.436828 0.920626 F\n0.695517 0.936828 0.579374 F\n0.804483 0.436828 0.579374 F\n0.695517 0.936828 0.920626 F\n0.195517 0.563172 0.079374 F\n0.304483 0.063172 0.420626 F\n0.160908 0.822306 0.250000 F\n0.339092 0.322306 0.250000 F\n0.839092 0.177694 0.750000 F\n0.660908 0.677694 0.750000 F\n",
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],
"chemical_system": "F-Rb-Th",
"density": 6.105414530658327,
"density_atomic": 0.06123440590445897,
"volume": 783.8730414873631,
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"formula_full": "Rb4 Th8 F36",
"formula_reduced": "RbTh2F9",
"formula_anonymous": "AB2C9",
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"updated_at": "2021-11-28T01:35:50.594000Z",
"spacegroup": 62
}
]
}