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{
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"structure_string": "Li8 Ti8 V8 Cr2 O36\n1.0\n2.972306 0.000000 0.000000\n0.000000 9.140669 0.000000\n0.000000 0.000000 25.116602\nLi Ti V Cr O\n8 8 8 2 36\ndirect\n0.000000 0.196860 0.991001 Li\n0.000000 0.200993 0.192768 Li\n0.000000 0.299007 0.692768 Li\n0.000000 0.303140 0.491001 Li\n0.000000 0.696860 0.508999 Li\n0.000000 0.700993 0.307232 Li\n0.000000 0.799007 0.807232 Li\n0.000000 0.803140 0.008999 Li\n0.000000 0.997537 0.101368 Ti\n0.500000 0.147106 0.805222 Ti\n0.500000 0.352894 0.305222 Ti\n0.000000 0.502463 0.601368 Ti\n0.000000 0.497537 0.398632 Ti\n0.500000 0.647106 0.694778 Ti\n0.500000 0.852894 0.194778 Ti\n0.000000 0.002463 0.898632 Ti\n0.000000 0.011377 0.312433 V\n0.500000 0.147737 0.585808 V\n0.500000 0.352263 0.085808 V\n0.000000 0.488623 0.812433 V\n0.000000 0.511377 0.187567 V\n0.500000 0.647737 0.914192 V\n0.500000 0.852263 0.414192 V\n0.000000 0.988623 0.687567 V\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.991266 0.418560 O\n0.000000 0.008734 0.581440 O\n0.500000 0.059740 0.941927 O\n0.500000 0.047454 0.158390 O\n0.500000 0.126324 0.664586 O\n0.000000 0.100831 0.756722 O\n0.500000 0.149116 0.505373 O\n0.500000 0.144302 0.289147 O\n0.000000 0.184155 0.855623 O\n0.000000 0.201922 0.082826 O\n0.000000 0.298078 0.582826 O\n0.000000 0.315845 0.355623 O\n0.500000 0.355698 0.789147 O\n0.500000 0.350884 0.005373 O\n0.000000 0.399169 0.256722 O\n0.500000 0.373676 0.164586 O\n0.500000 0.452546 0.658390 O\n0.500000 0.440260 0.441927 O\n0.000000 0.491266 0.081440 O\n0.000000 0.508734 0.918560 O\n0.500000 0.559740 0.558073 O\n0.500000 0.547454 0.341610 O\n0.500000 0.626324 0.835414 O\n0.000000 0.600831 0.743278 O\n0.500000 0.649116 0.994627 O\n0.500000 0.644302 0.210853 O\n0.000000 0.684155 0.644377 O\n0.000000 0.701922 0.417174 O\n0.000000 0.798078 0.917174 O\n0.000000 0.815845 0.144377 O\n0.500000 0.855698 0.710853 O\n0.500000 0.850884 0.494627 O\n0.000000 0.899169 0.243278 O\n0.500000 0.873676 0.335414 O\n0.500000 0.952546 0.841610 O\n0.500000 0.940260 0.058073 O\n",
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{
"id": "mp-1518021",
"created_at": "2022-09-04T14:48:28.704923Z",
"structure_string": "Ba2 Ca2 Eu2 Nb2 O12\n1.0\n5.945824 -0.017097 -0.027723\n-0.022989 6.033517 -0.035225\n-0.046474 -0.055165 8.473291\nBa Ca Eu Nb O\n2 2 2 2 12\ndirect\n0.505729 0.534325 0.250984 Ba\n0.494271 0.465675 0.749016 Ba\n0.990305 0.045074 0.254336 Ca\n0.009695 0.954926 0.745664 Ca\n0.000000 0.500000 0.000000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.226546 0.186602 0.939977 O\n0.273302 0.694648 0.532120 O\n0.773454 0.813398 0.060023 O\n0.726698 0.305352 0.467880 O\n0.306898 0.729358 0.957639 O\n0.180606 0.219940 0.553479 O\n0.693102 0.270642 0.042361 O\n0.819394 0.780060 0.446521 O\n0.391698 0.996862 0.230625 O\n0.066756 0.445324 0.267913 O\n0.608302 0.003138 0.769375 O\n0.933244 0.554676 0.732087 O\n",
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"formula_full": "Ba2 Ca2 Eu2 Nb2 O12",
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{
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"structure_string": "Sr6 La2 Mn4 W4 O24\n1.0\n5.817352 0.000000 0.000000\n0.000000 5.794942 0.000000\n0.000000 0.081903 16.176460\nSr La Mn W O\n6 2 4 4 24\ndirect\n0.022653 0.233122 0.999481 Sr\n0.021638 0.241049 0.501373 Sr\n0.477335 0.741289 0.755235 Sr\n0.522653 0.766878 0.000519 Sr\n0.521638 0.758951 0.498627 Sr\n0.977335 0.258711 0.244765 Sr\n0.470289 0.738455 0.241447 La\n0.970289 0.261545 0.758553 La\n0.000045 0.747548 0.877508 Mn\n0.998124 0.751184 0.374501 Mn\n0.500045 0.252452 0.122492 Mn\n0.498124 0.248816 0.625499 Mn\n0.998752 0.752996 0.124915 W\n0.000047 0.750247 0.624284 W\n0.498752 0.247004 0.875085 W\n0.500047 0.249753 0.375716 W\n0.986612 0.671228 0.506946 O\n0.986509 0.666333 0.010187 O\n0.779102 0.018407 0.106944 O\n0.781107 0.999776 0.603664 O\n0.771226 0.033742 0.892777 O\n0.757185 0.040931 0.398097 O\n0.725523 0.540373 0.153266 O\n0.749783 0.530173 0.648597 O\n0.732190 0.503993 0.847801 O\n0.711326 0.508770 0.352165 O\n0.518751 0.172643 0.754761 O\n0.511805 0.158293 0.259326 O\n0.486612 0.328772 0.493054 O\n0.486509 0.333667 0.989813 O\n0.281107 0.000224 0.396336 O\n0.279102 0.981593 0.893056 O\n0.271226 0.966258 0.107223 O\n0.257185 0.959069 0.601903 O\n0.249783 0.469827 0.351403 O\n0.225523 0.459627 0.846734 O\n0.232190 0.496007 0.152199 O\n0.211326 0.491230 0.647835 O\n0.018751 0.827357 0.245239 O\n0.011805 0.841707 0.740674 O\n",
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"density_atomic": 0.07335032904440088,
"volume": 545.3281603656741,
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"formula_full": "Sr6 La2 Mn4 W4 O24",
"formula_reduced": "Sr3LaMn2(WO6)2",
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{
"id": "mp-1652832",
"created_at": "2022-09-04T14:48:28.766216Z",
"structure_string": "Na12 Co4 B4 P4 O28\n1.0\n0.001325 6.691925 0.004078\n0.128913 0.006336 10.490795\n8.848261 -0.000805 -5.106732\nNa Co B P O\n12 4 4 4 28\ndirect\n0.248720 0.423977 0.080366 Na\n0.250927 0.912894 0.077284 Na\n0.752730 0.583090 0.924346 Na\n0.749039 0.080875 0.923569 Na\n0.002689 0.253705 0.257625 Na\n0.004235 0.752946 0.258781 Na\n0.496177 0.250995 0.255804 Na\n0.496943 0.756472 0.260460 Na\n0.499752 0.751435 0.746294 Na\n0.505310 0.245669 0.739074 Na\n0.998998 0.748797 0.744864 Na\n0.996200 0.247118 0.740660 Na\n0.753390 0.056245 0.339687 Co\n0.252317 0.443139 0.659541 Co\n0.747281 0.555911 0.340287 Co\n0.249829 0.944914 0.659302 Co\n0.751041 0.396770 0.066571 B\n0.748515 0.897260 0.066798 B\n0.249483 0.599482 0.932799 B\n0.249523 0.099474 0.934578 B\n0.250079 0.572831 0.424541 P\n0.250336 0.068879 0.420552 P\n0.749427 0.430435 0.576921 P\n0.750896 0.929551 0.576461 P\n0.247976 0.197165 0.081711 O\n0.251897 0.682672 0.083118 O\n0.749931 0.812504 0.916777 O\n0.749453 0.312136 0.916304 O\n0.754754 0.550632 0.141420 O\n0.744808 0.050992 0.141070 O\n0.245342 0.445361 0.857084 O\n0.248518 0.948809 0.869595 O\n0.749566 0.345802 0.169530 O\n0.750289 0.846000 0.169623 O\n0.249620 0.651968 0.831249 O\n0.252392 0.141996 0.821594 O\n0.250635 0.449965 0.471222 O\n0.251987 0.941719 0.459709 O\n0.748700 0.554999 0.532243 O\n0.750991 0.054846 0.532818 O\n0.750040 0.281613 0.431949 O\n0.750251 0.781026 0.431322 O\n0.250574 0.723600 0.568917 O\n0.249548 0.217170 0.567171 O\n0.065453 0.552299 0.324978 O\n0.063896 0.051255 0.321595 O\n0.435592 0.552101 0.325031 O\n0.433932 0.052936 0.320572 O\n0.563825 0.450431 0.676722 O\n0.566132 0.948722 0.676573 O\n0.933754 0.450449 0.677149 O\n0.936308 0.947969 0.675789 O\n",
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"formula_full": "Na12 Co4 B4 P4 O28",
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{
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"structure_string": "K1 Ca1 Nd1 W1 O6\n1.0\n-0.000000 -4.264051 -4.264051\n4.264051 0.000000 -4.264051\n4.264051 -4.264051 0.000000\nK Ca Nd W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728491 0.271509 0.271509 O\n0.271509 0.728491 0.728491 O\n0.728491 0.271509 0.728491 O\n0.271509 0.728491 0.271509 O\n0.728491 0.728491 0.271509 O\n0.271509 0.271509 0.728491 O\n",
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"formula_full": "K1 Ca1 Nd1 W1 O6",
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{
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"structure_string": "Ba2 La1 Co1 Cu2 O7\n1.0\n3.932809 0.000000 0.000000\n0.000000 3.961428 0.000000\n0.000000 0.000000 12.006921\nBa La Co Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.183274 Ba\n0.500000 0.500000 0.816726 Ba\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.353668 Cu\n0.000000 0.000000 0.646332 Cu\n0.500000 0.000000 0.368524 O\n0.500000 0.000000 0.631476 O\n0.000000 0.000000 0.150146 O\n0.000000 0.000000 0.849854 O\n0.000000 0.500000 0.369453 O\n0.000000 0.500000 0.630547 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Li4 Ti3 Mn3 Fe2 O16\n1.0\n5.887028 0.000000 0.000000\n-2.887610 5.190148 0.000000\n-0.016958 -0.091848 9.591379\nLi Ti Mn Fe O\n4 3 3 2 16\ndirect\n0.326477 0.667720 0.890251 Li\n0.001966 0.002381 0.995447 Li\n0.005856 0.994970 0.496719 Li\n0.667311 0.328889 0.395286 Li\n0.168715 0.339864 0.216328 Ti\n0.659257 0.832572 0.215669 Ti\n0.831904 0.171900 0.714066 Ti\n0.166973 0.829139 0.212151 Mn\n0.341003 0.168945 0.713792 Mn\n0.827071 0.660064 0.715596 Mn\n0.335836 0.669291 0.492599 Fe\n0.657975 0.338307 0.989669 Fe\n0.164624 0.323302 0.602032 O\n0.487763 0.519524 0.331785 O\n0.327797 0.668648 0.106060 O\n0.004842 0.996962 0.308770 O\n0.016676 0.020180 0.810273 O\n0.679746 0.834810 0.603532 O\n0.040811 0.502168 0.345587 O\n0.493180 0.958378 0.341046 O\n0.832035 0.164981 0.104582 O\n0.179492 0.849218 0.601551 O\n0.520889 0.039249 0.835837 O\n0.956101 0.481220 0.835082 O\n0.654616 0.309813 0.603012 O\n0.326789 0.183480 0.098358 O\n0.500945 0.467101 0.836722 O\n0.823049 0.676620 0.096037 O\n",
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{
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"structure_string": "Li2 Ti3 Co1 P6 O24\n1.0\n7.513244 -4.281137 0.000000\n7.513244 4.281137 0.000000\n5.073800 0.000000 7.002394\nLi Ti Co P O\n2 3 1 6 24\ndirect\n0.010169 0.010169 0.010169 Li\n0.500105 0.500105 0.500105 Li\n0.643684 0.643684 0.643684 Ti\n0.858761 0.858761 0.858761 Ti\n0.357284 0.357284 0.357284 Ti\n0.142646 0.142646 0.142646 Co\n0.530332 0.962168 0.251008 P\n0.251008 0.530332 0.962168 P\n0.962168 0.251008 0.530332 P\n0.041025 0.758035 0.455178 P\n0.758035 0.455178 0.041025 P\n0.455178 0.041025 0.758035 P\n0.297566 0.498257 0.128610 O\n0.128610 0.297566 0.498257 O\n0.498257 0.128610 0.297566 O\n0.720838 0.943267 0.081405 O\n0.557326 0.772117 0.420311 O\n0.362576 0.986368 0.214841 O\n0.081405 0.720838 0.943267 O\n0.420311 0.557326 0.772117 O\n0.772117 0.420311 0.557326 O\n0.003046 0.801448 0.625114 O\n0.053888 0.928333 0.265790 O\n0.801448 0.625114 0.003046 O\n0.214841 0.362576 0.986368 O\n0.943267 0.081405 0.720838 O\n0.986368 0.214841 0.362576 O\n0.230132 0.587566 0.435060 O\n0.587566 0.435060 0.230132 O\n0.928333 0.265790 0.053888 O\n0.625114 0.003046 0.801448 O\n0.435060 0.230132 0.587566 O\n0.265790 0.053888 0.928333 O\n0.494224 0.872719 0.708807 O\n0.872719 0.708807 0.494224 O\n0.708807 0.494224 0.872719 O\n",
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