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{
"id": "mp-1203208",
"created_at": "2022-09-04T14:45:10.737751Z",
"structure_string": "Cs6 Hf4 Cu2 Te20\n1.0\n10.214243 0.000000 0.000000\n2.319684 11.026897 0.000000\n0.133352 0.066074 11.482067\nCs Hf Cu Te\n6 4 2 20\ndirect\n0.884574 0.891091 0.261480 Cs\n0.115426 0.108909 0.738520 Cs\n0.445477 0.764349 0.389999 Cs\n0.554523 0.235651 0.610001 Cs\n0.300534 0.624955 0.895996 Cs\n0.699466 0.375045 0.104004 Cs\n0.107564 0.377294 0.364264 Hf\n0.892436 0.622706 0.635736 Hf\n0.307841 0.159427 0.142926 Hf\n0.692159 0.840573 0.857074 Hf\n0.921218 0.378102 0.556045 Cu\n0.078782 0.621898 0.443955 Cu\n0.843516 0.559501 0.398902 Te\n0.156484 0.440499 0.601098 Te\n0.928317 0.207227 0.406370 Te\n0.071683 0.792773 0.593630 Te\n0.192911 0.588827 0.241809 Te\n0.807089 0.411173 0.758191 Te\n0.214537 0.117527 0.390790 Te\n0.785463 0.882473 0.609210 Te\n0.079982 0.363067 0.109752 Te\n0.920018 0.636933 0.890248 Te\n0.390327 0.357466 0.290214 Te\n0.609673 0.642534 0.709786 Te\n0.044362 0.122268 0.068083 Te\n0.955638 0.877732 0.931917 Te\n0.523812 0.090919 0.303496 Te\n0.476188 0.909081 0.696504 Te\n0.331754 0.912812 0.070469 Te\n0.668246 0.087188 0.929531 Te\n0.408854 0.245041 0.930749 Te\n0.591146 0.754959 0.069251 Te\n",
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{
"id": "mp-17071",
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"structure_string": "Rb8 Cr4 O16\n1.0\n6.205217 0.000000 0.000000\n0.000000 8.143358 0.000000\n0.000000 0.000000 10.977252\nRb Cr O\n8 4 16\ndirect\n0.250000 0.012009 0.301734 Rb\n0.750000 0.987991 0.698266 Rb\n0.250000 0.512009 0.198266 Rb\n0.750000 0.487991 0.801734 Rb\n0.250000 0.329838 0.585275 Rb\n0.750000 0.670162 0.414725 Rb\n0.250000 0.829838 0.914725 Rb\n0.750000 0.170162 0.085275 Rb\n0.250000 0.768720 0.578626 Cr\n0.750000 0.231280 0.421374 Cr\n0.250000 0.268720 0.921374 Cr\n0.750000 0.731280 0.078626 Cr\n0.529967 0.302863 0.351766 O\n0.029967 0.697137 0.648234 O\n0.970033 0.802863 0.148234 O\n0.470033 0.197137 0.851766 O\n0.470033 0.697137 0.648234 O\n0.970033 0.302863 0.351766 O\n0.029967 0.197137 0.851766 O\n0.529967 0.802863 0.148234 O\n0.250000 0.703578 0.433973 O\n0.750000 0.296422 0.566027 O\n0.250000 0.203578 0.066027 O\n0.750000 0.796422 0.933973 O\n0.750000 0.527218 0.082637 O\n0.250000 0.472782 0.917363 O\n0.750000 0.027218 0.417363 O\n0.250000 0.972782 0.582637 O\n",
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{
"id": "mp-1247355",
"created_at": "2022-09-04T14:45:03.976539Z",
"structure_string": "Ba28 C4 N24\n1.0\n12.314301 0.000000 0.000000\n0.000000 7.120689 0.000000\n0.000000 0.000000 13.922252\nBa C N\n28 4 24\ndirect\n0.049966 0.744891 0.992041 Ba\n0.450034 0.755109 0.492041 Ba\n0.549966 0.755109 0.007959 Ba\n0.950034 0.744891 0.507959 Ba\n0.950034 0.255109 0.007959 Ba\n0.549966 0.244891 0.507959 Ba\n0.450034 0.244891 0.992041 Ba\n0.049966 0.255109 0.492041 Ba\n0.206543 0.867404 0.621438 Ba\n0.293457 0.632596 0.121438 Ba\n0.706543 0.632596 0.378562 Ba\n0.793457 0.867404 0.878562 Ba\n0.793457 0.132596 0.378562 Ba\n0.706543 0.367404 0.878562 Ba\n0.293457 0.367404 0.621438 Ba\n0.206543 0.132596 0.121438 Ba\n0.303329 0.632588 0.852306 Ba\n0.196671 0.867412 0.352306 Ba\n0.803329 0.867412 0.147694 Ba\n0.696671 0.632588 0.647694 Ba\n0.696671 0.367412 0.147694 Ba\n0.803329 0.132588 0.647694 Ba\n0.196671 0.132588 0.852306 Ba\n0.303329 0.367412 0.352306 Ba\n0.000000 0.485864 0.750000 Ba\n0.500000 0.014136 0.250000 Ba\n0.000000 0.514136 0.250000 Ba\n0.500000 0.985864 0.750000 Ba\n0.000000 0.929848 0.750000 C\n0.500000 0.570152 0.250000 C\n0.000000 0.070152 0.250000 C\n0.500000 0.429848 0.750000 C\n0.097363 0.802587 0.786957 N\n0.402637 0.697413 0.286957 N\n0.597363 0.697413 0.213043 N\n0.902637 0.802587 0.713043 N\n0.902637 0.197413 0.213043 N\n0.597363 0.302587 0.713043 N\n0.402637 0.302587 0.786957 N\n0.097363 0.197413 0.286957 N\n0.153155 0.609240 0.493276 N\n0.346845 0.890760 0.993276 N\n0.653155 0.890760 0.506724 N\n0.846845 0.609240 0.006724 N\n0.846845 0.390760 0.506724 N\n0.653155 0.109240 0.006724 N\n0.346845 0.109240 0.493276 N\n0.153155 0.390760 0.993276 N\n0.469892 0.553792 0.664240 N\n0.030108 0.946208 0.164240 N\n0.969892 0.946208 0.335760 N\n0.530108 0.553792 0.835760 N\n0.530108 0.446208 0.335760 N\n0.969892 0.053792 0.835760 N\n0.030108 0.053792 0.664240 N\n0.469892 0.446208 0.164240 N\n",
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"volume": 1220.7908723784553,
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"formula_full": "Ba28 C4 N24",
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"updated_at": "2021-11-28T01:36:48.872000Z",
"spacegroup": 60
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{
"id": "mp-646579",
"created_at": "2022-09-04T14:45:09.499443Z",
"structure_string": "V4 Ni2 P4 O20\n1.0\n7.855144 0.000000 0.000000\n0.000000 7.738837 0.000000\n0.000000 4.574922 7.449327\nV Ni P O\n4 2 4 20\ndirect\n0.805344 0.753140 0.699121 V\n0.305344 0.246860 0.800879 V\n0.694656 0.753140 0.199121 V\n0.194656 0.246860 0.300879 V\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.354029 0.998045 0.221726 P\n0.645971 0.001955 0.778274 P\n0.854029 0.001955 0.278274 P\n0.145971 0.998045 0.721726 P\n0.931764 0.814941 0.268843 O\n0.068236 0.185059 0.731157 O\n0.568236 0.814941 0.768843 O\n0.023498 0.876054 0.680274 O\n0.808092 0.514364 0.772003 O\n0.191908 0.485636 0.227997 O\n0.274166 0.876408 0.406961 O\n0.976502 0.123946 0.319726 O\n0.225834 0.876408 0.906961 O\n0.219534 0.113236 0.060714 O\n0.725834 0.123592 0.593039 O\n0.780466 0.886764 0.939286 O\n0.431764 0.185059 0.231157 O\n0.476502 0.876054 0.180274 O\n0.308092 0.485636 0.727997 O\n0.691908 0.514364 0.272003 O\n0.523498 0.123946 0.819726 O\n0.280466 0.113236 0.560714 O\n0.774166 0.123592 0.093039 O\n0.719534 0.886764 0.439286 O\n",
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"formula_full": "V4 Ni2 P4 O20",
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{
"id": "mp-1210917",
"created_at": "2022-09-04T14:45:06.116033Z",
"structure_string": "Lu4 Sn4 F28\n1.0\n5.524280 0.000000 0.000000\n0.000000 8.853212 0.000000\n0.000000 5.470513 10.610156\nLu Sn F\n4 4 28\ndirect\n0.259661 0.817210 0.263135 Lu\n0.740339 0.182790 0.736865 Lu\n0.759661 0.182790 0.236865 Lu\n0.240339 0.817210 0.763135 Lu\n0.757179 0.726891 0.041821 Sn\n0.242821 0.273109 0.958179 Sn\n0.257179 0.273109 0.458179 Sn\n0.742821 0.726891 0.541821 Sn\n0.949218 0.711163 0.410519 F\n0.050782 0.288837 0.589481 F\n0.449218 0.288837 0.089481 F\n0.550782 0.711163 0.910519 F\n0.465325 0.731652 0.139844 F\n0.534675 0.268348 0.860156 F\n0.965325 0.268348 0.360156 F\n0.034675 0.731652 0.639844 F\n0.958511 0.744502 0.175503 F\n0.041489 0.255498 0.824497 F\n0.458511 0.255498 0.324497 F\n0.541489 0.744502 0.675503 F\n0.770984 0.475150 0.140640 F\n0.229016 0.524850 0.859360 F\n0.270984 0.524850 0.359360 F\n0.729016 0.475150 0.640640 F\n0.937810 0.277593 0.049097 F\n0.062190 0.722407 0.950903 F\n0.437810 0.722407 0.450903 F\n0.562190 0.277593 0.549097 F\n0.737314 0.979560 0.443485 F\n0.262686 0.020440 0.556515 F\n0.237314 0.020440 0.056515 F\n0.762686 0.979560 0.943485 F\n0.584718 0.969927 0.232747 F\n0.415282 0.030073 0.767253 F\n0.084718 0.030073 0.267253 F\n0.915282 0.969927 0.732747 F\n",
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"formula_full": "Lu4 Sn4 F28",
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{
"id": "mp-1206660",
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"structure_string": "Rb3 La1 Br6\n1.0\n0.000000 6.208362 6.208362\n6.208362 0.000000 6.208362\n6.208362 6.208362 0.000000\nRb La Br\n3 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 La\n0.764344 0.235656 0.235656 Br\n0.235656 0.764344 0.764344 Br\n0.235656 0.764344 0.235656 Br\n0.764344 0.235656 0.764344 Br\n0.235656 0.235656 0.764344 Br\n0.764344 0.764344 0.235656 Br\n",
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"formula_full": "Rb3 La1 Br6",
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{
"id": "mp-1196491",
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"structure_string": "Sb4 H4 S4 F40\n1.0\n5.739995 0.000000 0.000000\n0.000000 10.649466 0.000000\n-1.846723 0.000000 12.838981\nSb H S F\n4 4 4 40\ndirect\n0.123451 0.744618 0.966980 Sb\n0.876549 0.244618 0.533020 Sb\n0.876549 0.255382 0.033020 Sb\n0.123451 0.755382 0.466980 Sb\n0.258971 0.108510 0.880649 H\n0.741029 0.608510 0.619351 H\n0.741029 0.891490 0.119351 H\n0.258971 0.391490 0.380649 H\n0.454351 0.473230 0.793099 S\n0.545649 0.973230 0.706901 S\n0.545649 0.526770 0.206901 S\n0.454351 0.026770 0.293099 S\n0.224432 0.672311 0.103014 F\n0.775568 0.172311 0.396986 F\n0.775568 0.327689 0.896986 F\n0.224432 0.827689 0.603014 F\n0.033350 0.815380 0.832408 F\n0.966650 0.315380 0.667592 F\n0.966650 0.184620 0.167592 F\n0.033350 0.684620 0.332408 F\n0.348144 0.874732 0.999602 F\n0.651856 0.374732 0.500398 F\n0.651856 0.125268 0.000398 F\n0.348144 0.625268 0.499602 F\n0.899738 0.613434 0.935736 F\n0.100262 0.113434 0.564264 F\n0.100262 0.386566 0.064264 F\n0.899738 0.886566 0.435736 F\n0.361885 0.642123 0.914889 F\n0.638115 0.142123 0.585111 F\n0.638115 0.357877 0.085111 F\n0.361885 0.857877 0.414889 F\n0.889110 0.844039 0.023574 F\n0.110890 0.344039 0.476426 F\n0.110890 0.155961 0.976426 F\n0.889110 0.655961 0.523574 F\n0.487405 0.368351 0.714308 F\n0.512595 0.868351 0.785692 F\n0.512595 0.631649 0.285692 F\n0.487405 0.131649 0.214308 F\n0.295862 0.397175 0.857855 F\n0.704138 0.897175 0.642145 F\n0.704138 0.602825 0.142145 F\n0.295862 0.102825 0.357855 F\n0.255716 0.544146 0.723897 F\n0.744284 0.044146 0.776103 F\n0.744284 0.455854 0.276103 F\n0.255716 0.955854 0.223897 F\n0.293041 0.098470 0.810599 F\n0.706959 0.598470 0.689401 F\n0.706959 0.901530 0.189401 F\n0.293041 0.401530 0.310599 F\n",
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{
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