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{
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{
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{
"id": "mp-1096405",
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{
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"structure_string": "Ga1 Fe2\n1.0\n1.326508 -2.297579 0.000000\n1.326508 2.297579 0.000000\n0.000000 0.000000 6.339092\nGa Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.666560 Fe\n0.666667 0.333333 0.333440 Fe\n",
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{
"id": "mp-849499",
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"structure_string": "Li6 V6 P16 O58\n1.0\n9.757131 0.000000 0.000000\n-4.867743 8.472835 0.000000\n-0.019546 -0.029905 14.193810\nLi V P O\n6 6 16 58\ndirect\n0.329035 0.094684 0.943550 Li\n0.774730 0.095846 0.441404 Li\n0.768109 0.674709 0.946963 Li\n0.919053 0.687762 0.436654 Li\n0.687483 0.774970 0.556220 Li\n0.977212 0.030105 0.005256 Li\n0.996665 0.432417 0.753347 V\n0.006032 0.564676 0.244697 V\n0.430118 0.430232 0.253059 V\n0.560650 0.557611 0.751050 V\n0.433485 0.997805 0.748150 V\n0.560872 0.997494 0.245901 V\n0.309185 0.086599 0.158776 P\n0.311645 0.225424 0.654322 P\n0.771733 0.087869 0.660112 P\n0.665528 0.333267 0.869656 P\n0.671959 0.336174 0.368517 P\n0.915150 0.220674 0.158391 P\n0.085239 0.312613 0.342115 P\n0.772111 0.684494 0.159741 P\n0.220688 0.304732 0.838510 P\n0.911036 0.680250 0.655219 P\n0.083105 0.776740 0.838100 P\n0.332449 0.663426 0.632724 P\n0.336264 0.664386 0.131005 P\n0.226763 0.913448 0.341806 P\n0.681384 0.771303 0.340391 P\n0.691109 0.912186 0.841826 P\n0.232854 0.998672 0.428203 O\n0.344468 0.085851 0.670165 O\n0.214605 0.209940 0.921881 O\n0.341608 0.257681 0.171232 O\n0.470096 0.089164 0.172764 O\n0.511377 0.185507 0.832402 O\n0.618608 0.096852 0.679557 O\n0.790693 0.990694 0.924957 O\n0.740071 0.088257 0.170957 O\n0.526564 0.342689 0.322628 O\n0.473329 0.379347 0.679538 O\n0.666605 0.183306 0.328845 O\n0.669098 0.348591 0.973948 O\n0.673905 0.343629 0.473080 O\n0.811055 0.329113 0.825048 O\n0.614313 0.530033 0.172982 O\n0.672982 0.487556 0.825440 O\n0.913978 0.255931 0.667355 O\n0.002530 0.204440 0.250157 O\n0.993869 0.231602 0.427147 O\n0.987901 0.200411 0.072703 O\n0.921209 0.382732 0.168896 O\n0.821273 0.482747 0.324940 O\n0.085704 0.344298 0.833930 O\n0.903437 0.521304 0.679374 O\n0.742170 0.660009 0.664130 O\n0.200345 0.206070 0.743759 O\n0.243407 0.236704 0.564693 O\n0.761036 0.760578 0.428658 O\n0.257397 0.343856 0.336416 O\n0.091937 0.472693 0.322014 O\n0.911744 0.651447 0.170588 O\n0.183977 0.523127 0.678601 O\n0.081428 0.616889 0.828424 O\n0.989907 0.785395 0.918246 O\n0.983665 0.745370 0.562773 O\n0.012358 0.798304 0.739309 O\n0.084954 0.740493 0.335845 O\n0.333060 0.517267 0.176135 O\n0.380546 0.463715 0.826957 O\n0.189031 0.668979 0.175590 O\n0.336886 0.669277 0.026970 O\n0.340833 0.673569 0.528769 O\n0.340604 0.816442 0.680020 O\n0.521623 0.620024 0.323528 O\n0.483622 0.664174 0.674557 O\n0.257127 0.915467 0.838889 O\n0.200817 0.991459 0.245994 O\n0.232834 0.017660 0.066798 O\n0.381964 0.908794 0.319260 O\n0.485285 0.814600 0.175819 O\n0.536798 0.919961 0.828817 O\n0.651568 0.736177 0.835875 O\n0.787217 0.770673 0.070370 O\n0.791077 0.794315 0.250085 O\n0.660315 0.918220 0.340780 O\n0.756083 0.002801 0.569280 O\n0.789197 0.989462 0.744773 O\n",
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{
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{
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"formula_reduced": "Sr5Ca3Ti5Mn3O24",
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{
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"structure_string": "Ti2 Nb2 Al2 C2\n1.0\n1.551627 -2.687497 0.000000\n1.551627 2.687497 0.000000\n0.000000 0.000000 13.833472\nTi Nb Al C\n2 2 2 2\ndirect\n0.666667 0.333333 0.917605 Ti\n0.333333 0.666667 0.082395 Ti\n0.333333 0.666667 0.409969 Nb\n0.666667 0.333333 0.590031 Nb\n0.333333 0.666667 0.754383 Al\n0.666667 0.333333 0.245617 Al\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"density_atomic": 0.06934153951985654,
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"volume_molar": 8.684752028436733,
"formula_full": "Ti2 Nb2 Al2 C2",
"formula_reduced": "TiNbAlC",
"formula_anonymous": "ABCD",
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{
"id": "mp-1094478",
"created_at": "2022-09-04T14:46:33.990953Z",
"structure_string": "Mg2 Zn6\n1.0\n2.857983 -4.950172 0.000000\n2.857983 4.950172 0.000000\n0.000000 0.000000 4.611586\nMg Zn\n2 6\ndirect\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n0.678146 0.839073 0.750000 Zn\n0.160927 0.321854 0.750000 Zn\n0.160927 0.839073 0.750000 Zn\n0.839073 0.678146 0.250000 Zn\n0.839073 0.160927 0.250000 Zn\n0.321854 0.160927 0.250000 Zn\n",
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"formula_full": "Mg2 Zn6",
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{
"id": "mp-5323",
"created_at": "2022-09-04T14:46:33.991697Z",
"structure_string": "Ce1 Al1 O3\n1.0\n3.786162 0.000000 0.000000\n0.000000 3.786162 0.000000\n0.000000 0.000000 3.786162\nCe Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"density": 6.580870228140167,
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"volume": 54.27471817893961,
"volume_molar": 6.536999851658105,
"formula_full": "Ce1 Al1 O3",
"formula_reduced": "CeAlO3",
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]
}