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{
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{
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"updated_at": "2021-11-28T01:35:02.736000Z",
"spacegroup": 164
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{
"id": "mp-554320",
"created_at": "2022-09-04T14:40:36.289558Z",
"structure_string": "P4 Pd4 O14\n1.0\n2.676174 6.688199 0.000000\n-2.676174 6.688199 0.000000\n0.000000 1.118941 8.142423\nP Pd O\n4 4 14\ndirect\n0.264374 0.517746 0.268098 P\n0.735626 0.482254 0.731902 P\n0.482254 0.735626 0.231902 P\n0.517746 0.264374 0.768098 P\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.511703 0.488297 0.250000 O\n0.385725 0.235998 0.290498 O\n0.488297 0.511703 0.750000 O\n0.705915 0.069718 0.905834 O\n0.858490 0.365470 0.907745 O\n0.930282 0.294085 0.594166 O\n0.294085 0.930282 0.094166 O\n0.365470 0.858490 0.407745 O\n0.141510 0.634530 0.092255 O\n0.235998 0.385725 0.790498 O\n0.614275 0.764002 0.709502 O\n0.634530 0.141510 0.592255 O\n0.764002 0.614275 0.209502 O\n0.069718 0.705915 0.405834 O\n",
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{
"id": "mp-1173697",
"created_at": "2022-09-04T14:40:36.271117Z",
"structure_string": "Na2 La4 Ti4 Mn2 O18\n1.0\n2.775309 4.794562 0.000000\n-2.775309 4.794562 0.000000\n0.000000 0.104195 13.586286\nNa La Ti Mn O\n2 4 4 2 18\ndirect\n0.167481 0.167481 0.917195 Na\n0.833859 0.833859 0.584703 Na\n0.497236 0.497236 0.747737 La\n0.163613 0.163613 0.417716 La\n0.829923 0.829923 0.077062 La\n0.502993 0.502993 0.250785 La\n0.502040 0.502040 0.997426 Ti\n0.504443 0.504443 0.502740 Ti\n0.168303 0.168303 0.667478 Ti\n0.835973 0.835973 0.832419 Ti\n0.831885 0.831885 0.336192 Mn\n0.164611 0.164611 0.164277 Mn\n0.642115 0.642115 0.891601 O\n0.027421 0.518869 0.739571 O\n0.138846 0.646883 0.928231 O\n0.308504 0.308504 0.560732 O\n0.690674 0.204982 0.403492 O\n0.808619 0.311644 0.597166 O\n0.518869 0.027421 0.739571 O\n0.646883 0.138846 0.928231 O\n0.974478 0.974478 0.225158 O\n0.018703 0.018703 0.770574 O\n0.369323 0.842013 0.072308 O\n0.472282 0.977183 0.263933 O\n0.204982 0.690674 0.403492 O\n0.311644 0.808619 0.597166 O\n0.684537 0.684537 0.441382 O\n0.842013 0.369323 0.072308 O\n0.977183 0.472282 0.263933 O\n0.360348 0.360348 0.105603 O\n",
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"density": 5.4694797497722965,
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"formula_full": "Na2 La4 Ti4 Mn2 O18",
"formula_reduced": "NaLa2Ti2MnO9",
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"spacegroup": 8
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{
"id": "mp-1516606",
"created_at": "2022-09-04T14:40:36.275314Z",
"structure_string": "Ba8 Tb4 W4 O24\n1.0\n8.551315 0.000000 0.000000\n-0.000000 8.551315 0.000000\n0.000000 0.000000 8.551315\nBa Tb W O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Tb\n0.750000 0.250000 0.250000 Tb\n0.250000 0.750000 0.250000 Tb\n0.250000 0.250000 0.750000 Tb\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.237554 0.257808 0.485607 O\n0.237554 0.742192 0.514393 O\n0.762446 0.257808 0.514393 O\n0.762446 0.742192 0.485607 O\n0.257808 0.485607 0.237554 O\n0.742192 0.514393 0.237554 O\n0.257808 0.514393 0.762446 O\n0.742192 0.485607 0.762446 O\n0.485607 0.237554 0.257808 O\n0.514393 0.237554 0.742192 O\n0.514393 0.762446 0.257808 O\n0.485607 0.762446 0.742192 O\n0.262446 0.242192 0.014393 O\n0.262446 0.757808 0.985607 O\n0.737554 0.242192 0.985607 O\n0.737554 0.757808 0.014393 O\n0.242192 0.014393 0.262446 O\n0.757808 0.985607 0.262446 O\n0.242192 0.985607 0.737554 O\n0.757808 0.014393 0.737554 O\n0.014393 0.262446 0.242192 O\n0.985607 0.262446 0.757808 O\n0.985607 0.737554 0.242192 O\n0.014393 0.737554 0.757808 O\n",
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{
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"created_at": "2022-09-04T14:40:36.280590Z",
"structure_string": "Ti4 Ge4 S12\n1.0\n3.505250 0.000000 0.000000\n0.000000 9.111142 0.000000\n0.000000 0.000000 13.422029\nTi Ge S\n4 4 12\ndirect\n0.750000 0.346581 0.952734 Ti\n0.750000 0.846581 0.547266 Ti\n0.250000 0.653419 0.047266 Ti\n0.250000 0.153419 0.452734 Ti\n0.250000 0.070879 0.839342 Ge\n0.250000 0.570879 0.660658 Ge\n0.750000 0.929121 0.160658 Ge\n0.750000 0.429121 0.339342 Ge\n0.250000 0.512827 0.892840 S\n0.250000 0.012827 0.607160 S\n0.750000 0.487173 0.107160 S\n0.750000 0.987173 0.392840 S\n0.750000 0.234877 0.786916 S\n0.750000 0.734877 0.713084 S\n0.250000 0.765123 0.213084 S\n0.250000 0.265123 0.286916 S\n0.250000 0.178312 0.008275 S\n0.250000 0.678312 0.491725 S\n0.750000 0.821688 0.991725 S\n0.750000 0.321688 0.508275 S\n",
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"density": 3.3578556484942075,
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{
"id": "mp-1039876",
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"structure_string": "Mg30 Si1 B1 O32\n1.0\n8.489891 0.000000 0.000000\n0.000000 8.489891 0.000000\n0.000000 0.000000 8.614613\nMg Si B O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.246007 0.257589 Mg\n0.000000 0.246007 0.742411 Mg\n0.000000 0.753993 0.257589 Mg\n0.000000 0.753993 0.742411 Mg\n0.500000 0.249243 0.251781 Mg\n0.500000 0.249243 0.748219 Mg\n0.500000 0.750757 0.251781 Mg\n0.500000 0.750757 0.748219 Mg\n0.246007 0.000000 0.257589 Mg\n0.246007 0.000000 0.742411 Mg\n0.249243 0.500000 0.251781 Mg\n0.249243 0.500000 0.748219 Mg\n0.753993 0.000000 0.257589 Mg\n0.753993 0.000000 0.742411 Mg\n0.750757 0.500000 0.251781 Mg\n0.750757 0.500000 0.748219 Mg\n0.250077 0.250077 0.000000 Mg\n0.247235 0.247235 0.500000 Mg\n0.250077 0.749923 0.000000 Mg\n0.247235 0.752765 0.500000 Mg\n0.749923 0.250077 0.000000 Mg\n0.752765 0.247235 0.500000 Mg\n0.749923 0.749923 0.000000 Mg\n0.752765 0.752765 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 B\n0.231366 0.000000 0.000000 O\n0.267487 0.000000 0.500000 O\n0.247720 0.500000 0.000000 O\n0.252243 0.500000 0.500000 O\n0.768634 0.000000 0.000000 O\n0.732513 0.000000 0.500000 O\n0.752280 0.500000 0.000000 O\n0.747757 0.500000 0.500000 O\n0.248597 0.248597 0.249465 O\n0.248597 0.248597 0.750535 O\n0.248597 0.751403 0.249465 O\n0.248597 0.751403 0.750535 O\n0.751403 0.248597 0.249465 O\n0.751403 0.248597 0.750535 O\n0.751403 0.751403 0.249465 O\n0.751403 0.751403 0.750535 O\n0.000000 0.000000 0.195943 O\n0.000000 0.000000 0.804057 O\n0.000000 0.500000 0.242801 O\n0.000000 0.500000 0.757199 O\n0.500000 0.000000 0.242801 O\n0.500000 0.000000 0.757199 O\n0.500000 0.500000 0.247359 O\n0.500000 0.500000 0.752641 O\n0.000000 0.231366 0.000000 O\n0.000000 0.267487 0.500000 O\n0.000000 0.768634 0.000000 O\n0.000000 0.732513 0.500000 O\n0.500000 0.247720 0.000000 O\n0.500000 0.252243 0.500000 O\n0.500000 0.752280 0.000000 O\n0.500000 0.747757 0.500000 O\n",
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"formula_full": "Mg30 Si1 B1 O32",
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{
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{
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