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{
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{
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{
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"structure_string": "Fe24 O32\n1.0\n5.923972 0.000000 0.000000\n0.000000 6.617080 0.000000\n0.000000 0.000000 16.132684\nFe O\n24 32\ndirect\n0.767468 0.250000 0.597753 Fe\n0.736465 0.250000 0.155008 Fe\n0.510465 0.750000 0.147177 Fe\n0.263535 0.750000 0.844992 Fe\n0.980848 0.750000 0.601366 Fe\n0.736465 0.750000 0.344992 Fe\n0.064565 0.500000 0.250000 Fe\n0.767468 0.750000 0.902247 Fe\n0.489535 0.750000 0.647177 Fe\n0.510465 0.250000 0.352823 Fe\n0.500000 0.500000 0.500000 Fe\n0.935435 0.500000 0.750000 Fe\n0.500000 0.000000 0.500000 Fe\n0.232532 0.750000 0.402247 Fe\n0.232532 0.250000 0.097753 Fe\n0.935435 0.000000 0.750000 Fe\n0.019152 0.750000 0.101366 Fe\n0.064565 0.000000 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.980848 0.250000 0.898634 Fe\n0.263535 0.250000 0.655008 Fe\n0.019152 0.250000 0.398634 Fe\n0.489535 0.250000 0.852823 Fe\n0.500000 0.500000 0.000000 Fe\n0.991439 0.551772 0.375060 O\n0.704684 0.250000 0.965643 O\n0.241380 0.750000 0.211844 O\n0.506172 0.554643 0.872547 O\n0.991439 0.448228 0.124940 O\n0.295316 0.750000 0.034357 O\n0.991439 0.948228 0.375060 O\n0.779176 0.250000 0.276185 O\n0.758620 0.750000 0.711844 O\n0.758620 0.250000 0.788156 O\n0.748976 0.250000 0.474022 O\n0.493828 0.554643 0.372547 O\n0.506172 0.054643 0.627453 O\n0.008561 0.551772 0.875060 O\n0.220824 0.750000 0.723815 O\n0.295316 0.250000 0.465643 O\n0.251024 0.250000 0.974022 O\n0.704684 0.750000 0.534357 O\n0.493828 0.945357 0.372547 O\n0.008561 0.948228 0.875060 O\n0.008561 0.448228 0.624940 O\n0.008561 0.051772 0.624940 O\n0.748976 0.750000 0.025978 O\n0.506172 0.945357 0.872547 O\n0.493828 0.054643 0.127453 O\n0.251024 0.750000 0.525978 O\n0.220824 0.250000 0.776185 O\n0.506172 0.445357 0.627453 O\n0.991439 0.051772 0.124940 O\n0.779176 0.750000 0.223815 O\n0.241380 0.250000 0.288156 O\n0.493828 0.445357 0.127453 O\n",
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"formula_full": "Fe24 O32",
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{
"id": "mp-999498",
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"structure_string": "N4\n1.0\n-1.902148 1.902148 1.902148\n1.902148 -1.902148 1.902148\n1.902148 1.902148 -1.902148\nN\n4\ndirect\n0.328702 0.328702 0.328702 N\n0.500000 0.000000 0.171298 N\n0.000000 0.171298 0.500000 N\n0.171298 0.500000 0.000000 N\n",
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"formula_full": "N4",
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"spacegroup": 199
},
{
"id": "mp-1111142",
"created_at": "2022-09-04T14:46:24.617999Z",
"structure_string": "Na1 Li2 Ga1 F6\n1.0\n0.000000 4.055967 4.055967\n4.055967 0.000000 4.055967\n4.055967 4.055967 0.000000\nNa Li Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ga\n0.765651 0.234349 0.234349 F\n0.234349 0.234349 0.765651 F\n0.234349 0.765651 0.765651 F\n0.234349 0.765651 0.234349 F\n0.765651 0.234349 0.765651 F\n0.765651 0.765651 0.234349 F\n",
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"F"
],
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"volume": 133.44835793357382,
"volume_molar": 8.036447956668443,
"formula_full": "Na1 Li2 Ga1 F6",
"formula_reduced": "NaLi2GaF6",
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{
"id": "mp-774893",
"created_at": "2022-09-04T14:46:24.580896Z",
"structure_string": "Nb1 V3 Cr2 P6 O24\n1.0\n8.657020 -0.013936 -0.009837\n4.309313 -7.500032 0.000000\n4.309313 -2.512010 -7.066844\nNb V Cr P O\n1 3 2 6 24\ndirect\n0.570887 0.143038 0.143038 Nb\n0.071107 0.642964 0.642964 V\n0.433565 0.855479 0.855479 V\n0.930586 0.356471 0.356471 V\n0.009815 0.996728 0.996728 Cr\n0.501311 0.499563 0.499563 Cr\n0.242680 0.252860 0.549234 P\n0.242680 0.955226 0.252860 P\n0.242680 0.549234 0.955226 P\n0.751855 0.464449 0.041076 P\n0.751855 0.041076 0.742620 P\n0.751855 0.742620 0.464449 P\n0.068572 0.116710 0.308061 O\n0.068572 0.506657 0.116710 O\n0.068572 0.308061 0.506657 O\n0.236680 0.085813 0.739328 O\n0.424929 0.191167 0.385775 O\n0.266299 0.414809 0.558128 O\n0.236680 0.938179 0.085813 O\n0.266299 0.760762 0.414809 O\n0.571106 0.618520 0.003858 O\n0.266299 0.558128 0.760762 O\n0.765503 0.265179 0.060720 O\n0.571106 0.003858 0.806515 O\n0.424929 0.998129 0.191167 O\n0.236680 0.739328 0.938179 O\n0.735329 0.441944 0.238864 O\n0.424929 0.385775 0.998129 O\n0.735329 0.238864 0.583863 O\n0.765503 0.060720 0.908598 O\n0.735329 0.583863 0.441944 O\n0.571106 0.806515 0.618520 O\n0.765503 0.908598 0.265179 O\n0.931292 0.691133 0.496632 O\n0.931292 0.496632 0.880944 O\n0.931292 0.880944 0.691133 O\n",
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],
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"formula_full": "Nb1 V3 Cr2 P6 O24",
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{
"id": "mp-1217847",
"created_at": "2022-09-04T14:46:24.586695Z",
"structure_string": "Sr2 Ti8 Bi8 O30\n1.0\n2.749394 -20.604911 0.000000\n2.749394 20.604911 0.000000\n0.000000 0.000000 5.556209\nSr Ti Bi O\n2 8 8 30\ndirect\n0.757845 0.757845 0.760531 Sr\n0.242155 0.242155 0.260531 Sr\n0.204452 0.300379 0.768944 Ti\n0.300379 0.204452 0.768944 Ti\n0.795548 0.699621 0.268944 Ti\n0.699621 0.795548 0.268944 Ti\n0.099147 0.403451 0.770346 Ti\n0.403451 0.099147 0.770346 Ti\n0.900853 0.596549 0.270346 Ti\n0.596549 0.900853 0.270346 Ti\n0.859310 0.653620 0.717594 Bi\n0.653620 0.859310 0.717594 Bi\n0.140690 0.346380 0.217594 Bi\n0.346380 0.140690 0.217594 Bi\n0.939841 0.501470 0.733119 Bi\n0.501471 0.939841 0.733119 Bi\n0.060159 0.498530 0.233119 Bi\n0.498530 0.060159 0.233119 Bi\n0.117248 0.506424 0.784751 O\n0.506424 0.117248 0.784751 O\n0.882752 0.493576 0.284751 O\n0.493576 0.882752 0.284751 O\n0.515377 0.408067 0.090832 O\n0.408067 0.515377 0.090832 O\n0.484623 0.591933 0.590832 O\n0.591933 0.484623 0.590832 O\n0.756621 0.254457 0.999803 O\n0.254457 0.756621 0.999803 O\n0.243379 0.745543 0.499803 O\n0.745543 0.243379 0.499803 O\n0.074249 0.988713 0.524865 O\n0.988713 0.074249 0.524865 O\n0.925751 0.011287 0.024865 O\n0.011287 0.925751 0.024865 O\n0.092912 0.283997 0.817449 O\n0.283997 0.092912 0.817449 O\n0.907088 0.716003 0.317449 O\n0.716003 0.907088 0.317449 O\n0.300246 0.300246 0.804093 O\n0.699754 0.699754 0.304093 O\n0.118531 0.821744 0.569490 O\n0.821744 0.118531 0.569490 O\n0.881469 0.178256 0.069490 O\n0.178256 0.881469 0.069490 O\n0.651474 0.374785 0.027494 O\n0.374785 0.651474 0.027494 O\n0.348526 0.625215 0.527494 O\n0.625215 0.348526 0.527494 O\n",
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"formula_full": "Sr2 Ti8 Bi8 O30",
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{
"id": "mp-1203461",
"created_at": "2022-09-04T14:46:24.591978Z",
"structure_string": "Rb8 Eu4 Ga4 Si16 O48\n1.0\n3.732336 13.741020 0.000000\n-3.732336 13.741020 0.000000\n0.000000 8.348745 12.648611\nRb Eu Ga Si O\n8 4 4 16 48\ndirect\n0.193840 0.189772 0.034863 Rb\n0.810228 0.806160 0.465137 Rb\n0.806160 0.810228 0.965137 Rb\n0.189772 0.193840 0.534863 Rb\n0.725284 0.203973 0.455451 Rb\n0.796027 0.274716 0.044549 Rb\n0.274716 0.796027 0.544549 Rb\n0.203973 0.725284 0.955451 Rb\n0.014230 0.448050 0.749937 Eu\n0.551950 0.985770 0.750063 Eu\n0.985770 0.551950 0.250063 Eu\n0.448050 0.014230 0.249937 Eu\n0.267258 0.873163 0.272361 Ga\n0.126837 0.732742 0.227639 Ga\n0.732742 0.126837 0.727639 Ga\n0.873163 0.267258 0.772361 Ga\n0.693381 0.640133 0.992621 Si\n0.359867 0.306619 0.507379 Si\n0.306619 0.359867 0.007379 Si\n0.640133 0.693381 0.492621 Si\n0.206694 0.669377 0.422788 Si\n0.330623 0.793306 0.077212 Si\n0.793306 0.330623 0.577212 Si\n0.669377 0.206694 0.922788 Si\n0.023572 0.738411 0.661320 Si\n0.261589 0.976428 0.838680 Si\n0.976428 0.261589 0.338680 Si\n0.738411 0.023572 0.161320 Si\n0.316192 0.360819 0.794756 Si\n0.639181 0.683808 0.705244 Si\n0.683808 0.639181 0.205244 Si\n0.360819 0.316192 0.294756 Si\n0.875648 0.469171 0.925685 O\n0.530829 0.124352 0.574315 O\n0.124352 0.530829 0.074315 O\n0.469171 0.875648 0.425685 O\n0.765923 0.582341 0.090584 O\n0.417659 0.234077 0.409416 O\n0.234077 0.417659 0.909416 O\n0.582341 0.765923 0.590584 O\n0.069583 0.792298 0.344368 O\n0.207702 0.930417 0.155632 O\n0.930417 0.207702 0.655632 O\n0.792298 0.069583 0.844368 O\n0.328569 0.682907 0.375885 O\n0.317093 0.671431 0.124115 O\n0.671431 0.317093 0.624115 O\n0.682907 0.328569 0.875885 O\n0.064797 0.756593 0.532288 O\n0.243407 0.935203 0.967712 O\n0.935203 0.243407 0.467712 O\n0.756593 0.064797 0.032288 O\n0.231511 0.542944 0.700797 O\n0.457056 0.768489 0.799203 O\n0.768489 0.457056 0.299203 O\n0.542944 0.231511 0.200797 O\n0.892521 0.735535 0.724017 O\n0.264465 0.107479 0.775983 O\n0.107479 0.264465 0.275983 O\n0.735535 0.892521 0.224017 O\n0.939618 0.912725 0.669708 O\n0.087275 0.060382 0.830292 O\n0.060382 0.087275 0.330292 O\n0.912725 0.939618 0.169708 O\n0.578212 0.846115 0.926619 O\n0.153885 0.421788 0.573381 O\n0.421788 0.153885 0.073381 O\n0.846115 0.578212 0.426619 O\n0.554871 0.640532 0.054754 O\n0.359468 0.445129 0.445246 O\n0.445129 0.359468 0.945246 O\n0.640532 0.554871 0.554754 O\n0.547550 0.173468 0.769777 O\n0.826532 0.452450 0.730223 O\n0.452450 0.826532 0.230223 O\n0.173468 0.547550 0.269777 O\n0.258938 0.297847 0.799273 O\n0.702153 0.741062 0.700727 O\n0.741062 0.702153 0.200727 O\n0.297847 0.258938 0.299273 O\n",
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"volume": 1297.3959488589524,
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"formula_full": "Rb8 Eu4 Ga4 Si16 O48",
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{
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{
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{
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"structure_string": "Ga3 Fe4 Co8 Si1\n1.0\n13.211041 -2.016213 0.000000\n13.211041 2.016213 0.000000\n12.903336 0.000000 3.478600\nGa Fe Co Si\n3 4 8 1\ndirect\n0.750678 0.750678 0.750678 Ga\n0.000000 0.000000 0.000000 Ga\n0.249322 0.249322 0.249322 Ga\n0.624706 0.624706 0.624706 Fe\n0.375294 0.375294 0.375294 Fe\n0.875108 0.875108 0.875108 Fe\n0.124892 0.124892 0.124892 Fe\n0.937153 0.937153 0.937153 Co\n0.687722 0.687722 0.687722 Co\n0.185958 0.185958 0.185958 Co\n0.439671 0.439671 0.439671 Co\n0.560329 0.560329 0.560329 Co\n0.312278 0.312278 0.312278 Co\n0.814042 0.814042 0.814042 Co\n0.062847 0.062847 0.062847 Co\n0.500000 0.500000 0.500000 Si\n",
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{
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}