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{
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{
"id": "mp-1191573",
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"structure_string": "Tb2 Mn12 P7\n1.0\n4.657344 -8.066756 0.000000\n4.657344 8.066756 0.000000\n0.000000 0.000000 3.604837\nTb Mn P\n2 12 7\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.048882 0.623055 0.000000 Mn\n0.574173 0.951118 0.000000 Mn\n0.376945 0.425827 0.000000 Mn\n0.276079 0.121091 0.000000 Mn\n0.845012 0.723921 0.000000 Mn\n0.878909 0.154988 0.000000 Mn\n0.435212 0.045782 0.500000 Mn\n0.610570 0.564788 0.500000 Mn\n0.954218 0.389430 0.500000 Mn\n0.103455 0.876049 0.500000 Mn\n0.772593 0.896545 0.500000 Mn\n0.123951 0.227407 0.500000 Mn\n0.290306 0.881203 0.000000 P\n0.590897 0.709694 0.000000 P\n0.118797 0.409103 0.000000 P\n0.407917 0.283115 0.500000 P\n0.875198 0.592083 0.500000 P\n0.716885 0.124802 0.500000 P\n0.000000 0.000000 0.000000 P\n",
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{
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"structure_string": "Yb2 Al14 Au6\n1.0\n7.517828 -4.040694 0.000000\n7.517828 4.040694 0.000000\n5.346030 0.000000 6.653189\nYb Al Au\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.430474 0.647854 0.834250 Al\n0.834250 0.430474 0.647854 Al\n0.647854 0.834250 0.430474 Al\n0.069526 0.665750 0.852146 Al\n0.852146 0.069526 0.665750 Al\n0.665750 0.852146 0.069526 Al\n0.569526 0.352146 0.165750 Al\n0.165750 0.569526 0.352146 Al\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.334250 0.147854 0.930474 Al\n0.147854 0.930474 0.334250 Al\n0.930474 0.334250 0.147854 Al\n0.352146 0.165750 0.569526 Al\n0.750000 0.074877 0.425123 Au\n0.425123 0.750000 0.074877 Au\n0.074877 0.425123 0.750000 Au\n0.250000 0.925123 0.574877 Au\n0.574877 0.250000 0.925123 Au\n0.925123 0.574877 0.250000 Au\n",
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{
"id": "mp-978538",
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"structure_string": "Sm1 Sn1 Pd2\n1.0\n0.000000 3.443901 3.443901\n3.443901 0.000000 3.443901\n3.443901 3.443901 0.000000\nSm Sn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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{
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"structure_string": "Al2 Fe2 O6\n1.0\n1.593800 -2.760542 0.000000\n1.593800 2.760542 0.000000\n0.000000 0.000000 11.964116\nAl Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Fe\n0.333333 0.666667 0.250000 Fe\n0.333333 0.666667 0.424263 O\n0.666667 0.333333 0.924263 O\n0.666667 0.333333 0.575737 O\n0.333333 0.666667 0.075737 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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{
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{
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{
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{
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"structure_string": "Na12 Zr8 Si8 P4 O48\n1.0\n9.168407 0.000000 0.000000\n-4.562934 7.961932 0.000000\n-4.423264 -2.730571 15.526382\nNa Zr Si P O\n12 8 8 4 48\ndirect\n0.519459 0.257705 0.244833 Na\n0.955854 0.796152 0.469010 Na\n0.391889 0.521123 0.125805 Na\n0.672297 0.761929 0.717613 Na\n0.615842 0.982429 0.379422 Na\n0.954412 0.294530 0.969796 Na\n0.093218 0.839311 0.090657 Na\n0.394102 0.014342 0.629030 Na\n0.238268 0.250169 0.347914 Na\n0.613799 0.483752 0.880238 Na\n0.095311 0.342548 0.592001 Na\n0.251224 0.747658 0.841685 Na\n0.362595 0.182447 0.030861 Zr\n0.356743 0.680426 0.528687 Zr\n0.140520 0.562814 0.215487 Zr\n0.840434 0.921598 0.274951 Zr\n0.145167 0.066953 0.716967 Zr\n0.843000 0.421870 0.775565 Zr\n0.654118 0.329456 0.474614 Zr\n0.653654 0.829657 0.974657 Zr\n0.050023 0.167652 0.128596 Si\n0.748952 0.587686 0.119041 Si\n0.530850 0.615654 0.367329 Si\n0.047419 0.668343 0.627584 Si\n0.467692 0.882332 0.131656 Si\n0.748965 0.088163 0.618141 Si\n0.532035 0.117963 0.868632 Si\n0.468150 0.381353 0.630440 Si\n0.248791 0.913080 0.378059 P\n0.955105 0.331032 0.374395 P\n0.248156 0.411133 0.879693 P\n0.959608 0.830794 0.876520 P\n0.883954 0.043610 0.041346 O\n0.001816 0.411820 0.296037 O\n0.232267 0.181902 0.122351 O\n0.878078 0.545766 0.540928 O\n0.574596 0.400766 0.113078 O\n0.934642 0.590805 0.146916 O\n0.554745 0.452263 0.389528 O\n0.731504 0.660396 0.027801 O\n0.071727 0.356545 0.126339 O\n0.750777 0.711859 0.192851 O\n0.365767 0.544117 0.277569 O\n0.995682 0.907048 0.794776 O\n0.717541 0.781048 0.364309 O\n0.478890 0.683279 0.442055 O\n0.516022 0.811463 0.056468 O\n0.223953 0.679964 0.616031 O\n0.286254 0.721816 0.142278 O\n0.578252 0.898225 0.610623 O\n0.933219 0.088229 0.648594 O\n0.628890 0.950296 0.223291 O\n0.558115 0.959005 0.895069 O\n0.241032 0.792573 0.308510 O\n0.942212 0.155519 0.370260 O\n0.270585 0.850313 0.466443 O\n0.734240 0.162270 0.527333 O\n0.070237 0.857808 0.627874 O\n0.749448 0.211914 0.691845 O\n0.424292 0.031977 0.106839 O\n0.366747 0.046324 0.778685 O\n0.080175 0.924936 0.357645 O\n0.410812 0.095123 0.383933 O\n0.717075 0.282517 0.863041 O\n0.773999 0.305664 0.374873 O\n0.481187 0.189862 0.942553 O\n0.515093 0.307241 0.555991 O\n0.287249 0.223090 0.642169 O\n0.014676 0.091536 0.215313 O\n0.633297 0.458961 0.721841 O\n0.240308 0.291832 0.809294 O\n0.946598 0.655261 0.871382 O\n0.263702 0.343387 0.966801 O\n0.429351 0.532972 0.603789 O\n0.078783 0.423133 0.856967 O\n0.410790 0.592048 0.888658 O\n0.106409 0.448371 0.458049 O\n0.778033 0.804381 0.876360 O\n0.013643 0.591593 0.714460 O\n0.111782 0.950120 0.958472 O\n",
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"elements": [
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],
"chemical_system": "Na-O-P-Si-Zr",
"density": 3.1092581312927186,
"density_atomic": 0.07058417968319392,
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"volume_molar": 8.53185627010109,
"formula_full": "Na12 Zr8 Si8 P4 O48",
"formula_reduced": "Na3Zr2Si2PO12",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.391000Z",
"spacegroup": 1
},
{
"id": "mp-1209563",
"created_at": "2022-09-04T14:45:06.418138Z",
"structure_string": "Pr3 As6 Pd9\n1.0\n0.000000 -4.177457 0.000000\n-8.019489 2.088729 2.623831\n0.009175 0.000000 -10.130362\nPr As Pd\n3 6 9\ndirect\n0.845483 0.690966 0.299909 Pr\n0.154517 0.309034 0.700091 Pr\n0.000000 0.000000 0.000000 Pr\n0.800731 0.601463 0.869351 As\n0.199269 0.398537 0.130649 As\n0.538293 0.076586 0.785529 As\n0.461707 0.923414 0.214471 As\n0.636082 0.272164 0.452842 As\n0.363918 0.727836 0.547158 As\n0.957014 0.914028 0.667481 Pd\n0.042986 0.085972 0.332519 Pd\n0.779729 0.559459 0.608824 Pd\n0.220271 0.440541 0.391176 Pd\n0.376768 0.753535 0.799925 Pd\n0.623232 0.246465 0.200075 Pd\n0.500000 0.000000 0.500000 Pd\n0.680000 0.360000 0.967832 Pd\n0.320000 0.640000 0.032168 Pd\n",
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"elements": [
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],
"chemical_system": "As-Pd-Pr",
"density": 8.956802021176003,
"density_atomic": 0.05305393097478309,
"volume": 339.27740450666187,
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"formula_full": "Pr3 As6 Pd9",
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"updated_at": "2021-11-28T01:36:48.645000Z",
"spacegroup": 12
},
{
"id": "mp-1211998",
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"structure_string": "La2 In4 Cu18\n1.0\n8.518588 0.000000 0.000000\n0.000000 8.518588 0.000000\n0.000000 0.000000 5.046483\nLa In Cu\n2 4 18\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 La\n0.122494 0.622494 0.000000 In\n0.877506 0.377506 0.000000 In\n0.622494 0.877506 0.000000 In\n0.377506 0.122494 0.000000 In\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.207610 0.064348 0.500000 Cu\n0.792390 0.935652 0.500000 Cu\n0.064348 0.792390 0.500000 Cu\n0.707610 0.435652 0.500000 Cu\n0.935652 0.207610 0.500000 Cu\n0.292390 0.564348 0.500000 Cu\n0.564348 0.707610 0.500000 Cu\n0.435652 0.292390 0.500000 Cu\n0.676557 0.176557 0.246579 Cu\n0.323443 0.823443 0.753421 Cu\n0.323443 0.823443 0.246579 Cu\n0.176557 0.323443 0.246579 Cu\n0.176557 0.323443 0.753421 Cu\n0.676557 0.176557 0.753421 Cu\n0.823443 0.676557 0.753421 Cu\n0.823443 0.676557 0.246579 Cu\n",
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}
]
}