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{
"id": "mp-1216787",
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"structure_string": "Ti1 Nb2 Zn1 O8\n1.0\n5.802093 0.000000 0.000000\n0.000000 4.741418 0.000000\n0.000000 0.130208 5.031026\nTi Nb Zn O\n1 2 1 8\ndirect\n0.167975 0.500000 0.500000 Ti\n0.811794 0.500000 0.000000 Nb\n0.316505 0.000000 0.000000 Nb\n0.691047 0.000000 0.500000 Zn\n0.900026 0.291032 0.683308 O\n0.612101 0.225561 0.157400 O\n0.612101 0.774439 0.842600 O\n0.900026 0.708968 0.316692 O\n0.122227 0.735299 0.820688 O\n0.371985 0.758744 0.323057 O\n0.371985 0.241256 0.676943 O\n0.122227 0.264701 0.179312 O\n",
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{
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{
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"structure_string": "Ca4 W4 O8\n1.0\n2.963430 0.000000 0.000000\n-1.357599 -8.513672 0.000000\n-1.449512 0.066486 -8.776774\nCa W O\n4 4 8\ndirect\n0.846348 0.478384 0.731839 Ca\n0.153652 0.521616 0.268161 Ca\n0.655278 0.814555 0.974389 Ca\n0.344722 0.185445 0.025611 Ca\n0.067324 0.172348 0.390725 W\n0.669768 0.112757 0.694943 W\n0.330232 0.887243 0.305057 W\n0.932676 0.827652 0.609275 W\n0.318771 0.705299 0.466038 O\n0.858153 0.033614 0.172018 O\n0.141847 0.966386 0.827982 O\n0.681229 0.294701 0.533962 O\n0.551732 0.313506 0.255552 O\n0.287973 0.279974 0.793192 O\n0.448268 0.686494 0.744448 O\n0.712027 0.720026 0.206808 O\n",
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{
"id": "mp-778808",
"created_at": "2022-09-04T14:48:17.537672Z",
"structure_string": "Li24 La12 Nb8 O48\n1.0\n-6.447617 6.447617 6.447617\n6.447617 -6.447617 6.447617\n6.447617 6.447617 -6.447617\nLi La Nb O\n24 12 8 48\ndirect\n0.179291 0.752945 0.290402 Li\n0.251693 0.064322 0.453899 Li\n0.064322 0.453899 0.251693 Li\n0.209598 0.962543 0.888889 Li\n0.110424 0.797794 0.046101 Li\n0.046101 0.110424 0.797794 Li\n0.290402 0.179291 0.752945 Li\n0.389576 0.435678 0.687371 Li\n0.573654 0.320709 0.611111 Li\n0.320709 0.611111 0.573654 Li\n0.453899 0.251693 0.064322 Li\n0.248307 0.702206 0.812629 Li\n0.752945 0.290402 0.179291 Li\n0.537457 0.747055 0.926346 Li\n0.687371 0.389576 0.435678 Li\n0.435678 0.687371 0.389576 Li\n0.611111 0.573654 0.320709 Li\n0.702206 0.812629 0.248307 Li\n0.962543 0.888889 0.209598 Li\n0.888889 0.209598 0.962543 Li\n0.797794 0.046101 0.110424 Li\n0.926346 0.537457 0.747055 Li\n0.747055 0.926346 0.537457 Li\n0.812629 0.248307 0.702206 Li\n0.121994 0.250000 0.371994 La\n0.250000 0.868123 0.618123 La\n0.128006 0.378006 0.750000 La\n0.371994 0.121994 0.250000 La\n0.250000 0.371994 0.121994 La\n0.618123 0.250000 0.868123 La\n0.750000 0.631877 0.881877 La\n0.631877 0.881877 0.750000 La\n0.378006 0.750000 0.128006 La\n0.868123 0.618123 0.250000 La\n0.881877 0.750000 0.631877 La\n0.750000 0.128006 0.378006 La\n0.000000 0.999998 0.500000 Nb\n0.000000 0.499862 0.500000 Nb\n0.000138 0.000138 0.000138 Nb\n0.999998 0.500000 0.000000 Nb\n0.499862 0.500000 0.000000 Nb\n0.500000 0.000000 0.999998 Nb\n0.500002 0.500002 0.500002 Nb\n0.500000 0.000000 0.499862 Nb\n0.087599 0.615244 0.410261 O\n0.118378 0.026957 0.205341 O\n0.026957 0.205341 0.118378 O\n0.080554 0.881982 0.401060 O\n0.089739 0.704983 0.677338 O\n0.098940 0.980922 0.679494 O\n0.179003 0.197652 0.582716 O\n0.410261 0.087599 0.615244 O\n0.385064 0.302348 0.481351 O\n0.302348 0.481351 0.385064 O\n0.320997 0.903713 0.018649 O\n0.018649 0.320997 0.903713 O\n0.178384 0.473043 0.591420 O\n0.205341 0.118378 0.026957 O\n0.401060 0.080554 0.881982 O\n0.321616 0.913037 0.294659 O\n0.294659 0.321616 0.913037 O\n0.114936 0.596287 0.917284 O\n0.527645 0.412401 0.822662 O\n0.412401 0.822662 0.527645 O\n0.519078 0.618018 0.698573 O\n0.381622 0.586963 0.908580 O\n0.582716 0.179003 0.197652 O\n0.197652 0.582716 0.179003 O\n0.801427 0.419446 0.820506 O\n0.419446 0.820506 0.801427 O\n0.615244 0.410261 0.087599 O\n0.481351 0.385064 0.302348 O\n0.591420 0.178384 0.473043 O\n0.473043 0.591420 0.178384 O\n0.881982 0.401060 0.080554 O\n0.704983 0.677338 0.089739 O\n0.677338 0.089739 0.704983 O\n0.596287 0.917284 0.114936 O\n0.795017 0.884756 0.972355 O\n0.980922 0.679494 0.098940 O\n0.679494 0.098940 0.980922 O\n0.822662 0.527645 0.412401 O\n0.698573 0.519078 0.618018 O\n0.618018 0.698573 0.519078 O\n0.586963 0.908580 0.381622 O\n0.820506 0.801427 0.419446 O\n0.903713 0.018649 0.320997 O\n0.913037 0.294659 0.321616 O\n0.917284 0.114936 0.596287 O\n0.972355 0.795017 0.884756 O\n0.884756 0.972355 0.795017 O\n0.908580 0.381622 0.586963 O\n",
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"formula_full": "Li24 La12 Nb8 O48",
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{
"id": "mp-1045293",
"created_at": "2022-09-04T14:48:17.555944Z",
"structure_string": "Ca2 Sb4 O12\n1.0\n5.434715 0.000000 0.000000\n0.000000 5.555453 0.000000\n0.000000 0.000000 7.778273\nCa Sb O\n2 4 12\ndirect\n0.513944 0.309279 0.500000 Ca\n0.013944 0.690721 0.000000 Ca\n0.501919 0.757812 0.749760 Sb\n0.001919 0.242188 0.750240 Sb\n0.001919 0.242188 0.249760 Sb\n0.501919 0.757812 0.250240 Sb\n0.696122 0.053164 0.298472 O\n0.196122 0.946836 0.201528 O\n0.793088 0.539396 0.709518 O\n0.293088 0.460604 0.790482 O\n0.293088 0.460604 0.209518 O\n0.793088 0.539396 0.290482 O\n0.196122 0.946836 0.798472 O\n0.696122 0.053164 0.701528 O\n0.094440 0.231440 0.500000 O\n0.594440 0.768560 0.000000 O\n0.420122 0.725027 0.500000 O\n0.920122 0.274973 0.000000 O\n",
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{
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{
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"structure_string": "Fe4 O6 F2\n1.0\n4.686855 0.000245 -0.000001\n0.000893 9.408992 -0.000016\n0.000000 -0.000005 2.999821\nFe O F\n4 6 2\ndirect\n0.966562 0.995494 0.999999 Fe\n0.034164 0.490282 0.000007 Fe\n0.534198 0.259712 0.500014 Fe\n0.466059 0.754444 0.499985 Fe\n0.216578 0.397907 0.500009 O\n0.161685 0.903707 0.499993 O\n0.307174 0.651393 0.999986 O\n0.660992 0.846515 0.999988 O\n0.716256 0.351905 0.000015 O\n0.809159 0.099110 0.500004 O\n0.314322 0.152245 0.000008 F\n0.812852 0.597285 0.499991 F\n",
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{
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"formula_full": "K2 Ag1 Ru1 F6",
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{
"id": "mp-1094390",
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"structure_string": "Mg4 Ti4\n1.0\n4.836505 0.000000 0.000000\n0.000000 5.242163 0.000000\n0.000000 0.000000 6.210645\nMg Ti\n4 4\ndirect\n0.000000 0.501913 0.234114 Mg\n0.000000 0.019815 0.500000 Mg\n0.000000 0.501913 0.765886 Mg\n0.500000 0.659443 0.500000 Mg\n0.000000 0.005904 0.000000 Ti\n0.500000 0.685583 0.000000 Ti\n0.500000 0.146048 0.214178 Ti\n0.500000 0.146048 0.785822 Ti\n",
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{
"id": "mp-756015",
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"structure_string": "Li4 Al4 Fe4 O12\n1.0\n-5.393025 -1.091406 -0.072028\n0.107219 -0.116119 5.956138\n-0.525114 7.866684 0.045443\nLi Al Fe O\n4 4 4 12\ndirect\n0.496532 0.821916 0.247433 Li\n0.996506 0.321924 0.747426 Li\n0.003455 0.678084 0.252555 Li\n0.503495 0.178078 0.752586 Li\n0.333128 0.337323 0.418215 Al\n0.833067 0.837330 0.918170 Al\n0.166845 0.162676 0.081777 Al\n0.666956 0.662676 0.581834 Al\n0.174206 0.848644 0.584419 Fe\n0.325818 0.651341 0.915564 Fe\n0.674119 0.348617 0.084514 Fe\n0.825864 0.151392 0.415523 Fe\n0.680014 0.682433 0.069552 O\n0.179961 0.182499 0.569594 O\n0.819999 0.817564 0.430435 O\n0.320030 0.317501 0.930409 O\n0.465022 0.173824 0.253936 O\n0.965009 0.673804 0.753931 O\n0.034984 0.326175 0.246062 O\n0.534981 0.826198 0.746067 O\n0.352553 0.642851 0.431185 O\n0.852565 0.142853 0.931151 O\n0.147454 0.857142 0.068821 O\n0.647436 0.357154 0.568842 O\n",
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"formula_full": "Li4 Al4 Fe4 O12",
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},
{
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],
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"formula_full": "Y9 Ag3 O15",
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{
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"structure_string": "Fe7 Si3 H8 O18\n1.0\n5.528959 0.000000 0.000000\n2.658338 8.669112 0.000000\n2.674731 3.399183 8.082023\nFe Si H O\n7 3 8 18\ndirect\n0.544011 0.114421 0.785785 Fe\n0.584327 0.083822 0.415747 Fe\n0.089407 0.580982 0.913271 Fe\n0.083891 0.248464 0.245307 Fe\n0.587103 0.746623 0.751709 Fe\n0.076231 0.918472 0.581618 Fe\n0.588275 0.410450 0.081189 Fe\n0.066700 0.605005 0.274990 Si\n0.041786 0.285484 0.605934 Si\n0.565064 0.767160 0.119934 Si\n0.541246 0.788267 0.440341 H\n0.062332 0.293431 0.928238 H\n0.054204 0.617330 0.601957 H\n0.530187 0.101520 0.121282 H\n0.083396 0.927653 0.291763 H\n0.573909 0.443293 0.779195 H\n0.616421 0.383028 0.395288 H\n0.098902 0.901860 0.876252 H\n0.208972 0.229737 0.748296 O\n0.764441 0.708539 0.253787 O\n0.062561 0.483256 0.473051 O\n0.545644 0.968033 0.013699 O\n0.739221 0.285295 0.694452 O\n0.265572 0.735035 0.227933 O\n0.694753 0.983699 0.657442 O\n0.172911 0.497865 0.159914 O\n0.151021 0.159185 0.504329 O\n0.670484 0.659131 0.004034 O\n0.466348 0.850489 0.512388 O\n0.994984 0.347041 0.008869 O\n0.998894 0.685455 0.668492 O\n0.484056 0.176404 0.181095 O\n0.000123 0.999991 0.353551 O\n0.493606 0.514600 0.843332 O\n0.677578 0.319119 0.325518 O\n0.169238 0.832060 0.812216 O\n",
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"elements": [
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],
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"volume": 387.3807764468362,
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"formula_full": "Fe7 Si3 H8 O18",
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}
]
}