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{
"id": "mp-23716",
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"structure_string": "Ca4 Mn2 As4 H8 O20\n1.0\n13.167344 0.000000 0.000000\n0.000000 5.791706 0.000000\n0.000000 1.852983 5.658882\nCa Mn As H O\n4 2 4 8 20\ndirect\n0.880003 0.758395 0.568744 Ca\n0.380003 0.741605 0.431256 Ca\n0.119997 0.241605 0.431256 Ca\n0.619997 0.258395 0.568744 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.877852 0.428746 0.223936 As\n0.377852 0.071254 0.776064 As\n0.122148 0.571254 0.776064 As\n0.622148 0.928746 0.223936 As\n0.710422 0.498585 0.893928 H\n0.210422 0.001415 0.106072 H\n0.289578 0.501415 0.106072 H\n0.789578 0.998585 0.893928 H\n0.655921 0.694922 0.683819 H\n0.155921 0.805078 0.316181 H\n0.344079 0.305078 0.316181 H\n0.844079 0.194922 0.683819 H\n0.643100 0.531659 0.803721 O\n0.143100 0.968341 0.196279 O\n0.961881 0.651260 0.247290 O\n0.461881 0.848740 0.752710 O\n0.038119 0.348740 0.752710 O\n0.538119 0.151260 0.247290 O\n0.945739 0.158248 0.288269 O\n0.445739 0.341752 0.711731 O\n0.054261 0.841752 0.711731 O\n0.554261 0.658248 0.288269 O\n0.825242 0.502098 0.949804 O\n0.325242 0.997902 0.050196 O\n0.174758 0.497902 0.050196 O\n0.674758 0.002098 0.949804 O\n0.793426 0.417376 0.450186 O\n0.293426 0.082624 0.549814 O\n0.206574 0.582624 0.549814 O\n0.706574 0.917376 0.450186 O\n0.856900 0.031659 0.803721 O\n0.356900 0.468341 0.196279 O\n",
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{
"id": "mp-755387",
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"structure_string": "Li8 Cr6 Co2 O16\n1.0\n-2.937919 5.112844 -0.004996\n4.448056 5.983383 4.847608\n4.426569 -0.835243 -4.852473\nLi Cr Co O\n8 6 2 16\ndirect\n0.006869 0.498982 0.491567 Li\n0.498126 0.001358 0.998103 Li\n0.493151 0.500976 0.508409 Li\n0.001908 0.998612 0.001873 Li\n0.746070 0.750087 0.750573 Li\n0.247400 0.252057 0.250332 Li\n0.753955 0.249879 0.249428 Li\n0.252679 0.747907 0.749671 Li\n0.250109 0.499981 0.000108 Cr\n0.750225 0.000066 0.500250 Cr\n0.497253 0.251195 0.749478 Cr\n0.002803 0.748706 0.250548 Cr\n0.998235 0.250227 0.750603 Cr\n0.501441 0.749781 0.249153 Cr\n0.249965 0.999995 0.499958 Co\n0.749999 0.500009 0.999987 Co\n0.360374 0.258472 0.983716 O\n0.862579 0.758569 0.483805 O\n0.139625 0.741556 0.016293 O\n0.637433 0.241431 0.516227 O\n0.858121 0.258679 0.983631 O\n0.366221 0.754407 0.483170 O\n0.641789 0.741331 0.016318 O\n0.133673 0.245616 0.516778 O\n0.376674 0.490880 0.759119 O\n0.889215 0.991574 0.265717 O\n0.881952 0.492424 0.775849 O\n0.387662 0.991215 0.264039 O\n0.123322 0.509142 0.240873 O\n0.610781 0.008469 0.734305 O\n0.618078 0.507592 0.224160 O\n0.112318 0.008821 0.735962 O\n",
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"elements": [
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"formula_full": "Li8 Cr6 Co2 O16",
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{
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"created_at": "2022-09-04T14:39:05.885372Z",
"structure_string": "Th2 Ge4\n1.0\n2.035486 -8.298651 0.000000\n2.035486 8.298651 0.000000\n0.000000 0.000000 4.200411\nTh Ge\n2 4\ndirect\n0.861235 0.138765 0.000000 Th\n0.138765 0.861235 0.000000 Th\n0.700705 0.299295 0.500000 Ge\n0.299295 0.700705 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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"updated_at": "2021-11-28T01:34:25.046000Z",
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{
"id": "mp-3488",
"created_at": "2022-09-04T14:39:05.890395Z",
"structure_string": "Na4 Ti6 O14\n1.0\n3.820460 0.000000 0.000000\n0.000000 8.661788 0.000000\n0.000000 1.879951 9.046931\nNa Ti O\n4 6 14\ndirect\n0.750000 0.499606 0.842429 Na\n0.250000 0.500394 0.157571 Na\n0.750000 0.682081 0.408746 Na\n0.250000 0.317919 0.591254 Na\n0.750000 0.031346 0.720680 Ti\n0.250000 0.968654 0.279320 Ti\n0.750000 0.247935 0.325032 Ti\n0.250000 0.752065 0.674968 Ti\n0.750000 0.146733 0.015460 Ti\n0.250000 0.853267 0.984540 Ti\n0.750000 0.915056 0.956046 O\n0.250000 0.084944 0.043954 O\n0.750000 0.805019 0.682109 O\n0.250000 0.194981 0.317891 O\n0.750000 0.014140 0.246930 O\n0.250000 0.985860 0.753070 O\n0.750000 0.324069 0.091560 O\n0.250000 0.675931 0.908440 O\n0.750000 0.443195 0.345728 O\n0.250000 0.556805 0.654272 O\n0.250000 0.781413 0.186746 O\n0.750000 0.218587 0.813254 O\n0.250000 0.849179 0.461305 O\n0.750000 0.150821 0.538695 O\n",
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"formula_full": "Na4 Ti6 O14",
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{
"id": "mp-505102",
"created_at": "2022-09-04T14:39:05.909579Z",
"structure_string": "Na2 Mo6 P6 O32\n1.0\n6.501861 0.000000 0.000000\n0.951252 7.726336 0.000000\n2.437509 1.973745 12.621334\nNa Mo P O\n2 6 6 32\ndirect\n0.599067 0.337721 0.328970 Na\n0.400933 0.662279 0.671030 Na\n0.203059 0.216284 0.539943 Mo\n0.796941 0.783716 0.460057 Mo\n0.403718 0.756981 0.163400 Mo\n0.596282 0.243019 0.836600 Mo\n0.058713 0.206479 0.144238 Mo\n0.941287 0.793521 0.855762 Mo\n0.573109 0.164561 0.101783 P\n0.426891 0.835439 0.898217 P\n0.307812 0.854908 0.421965 P\n0.692188 0.145092 0.578035 P\n0.064334 0.483646 0.316130 P\n0.935666 0.516354 0.683870 P\n0.195801 0.049001 0.644260 O\n0.804199 0.950999 0.355740 O\n0.897935 0.223279 0.521878 O\n0.102065 0.776721 0.478122 O\n0.518604 0.254985 0.520505 O\n0.481396 0.745015 0.479495 O\n0.299620 0.051453 0.428159 O\n0.700380 0.948547 0.571841 O\n0.135457 0.425026 0.622689 O\n0.864543 0.574974 0.377311 O\n0.225190 0.406371 0.388516 O\n0.774810 0.593629 0.611484 O\n0.086361 0.310845 0.017070 O\n0.913639 0.689155 0.982930 O\n0.980726 0.333766 0.271742 O\n0.019274 0.666234 0.728258 O\n0.741639 0.200687 0.165046 O\n0.258361 0.799313 0.834954 O\n0.131130 0.983018 0.137825 O\n0.868870 0.016982 0.862175 O\n0.357860 0.238362 0.161288 O\n0.642140 0.761638 0.838712 O\n0.600130 0.595232 0.184282 O\n0.399870 0.404768 0.815718 O\n0.377407 0.736379 0.011664 O\n0.622593 0.263621 0.988336 O\n0.159445 0.608449 0.217589 O\n0.840555 0.391551 0.782411 O\n0.356620 0.841227 0.303724 O\n0.643380 0.158773 0.696276 O\n0.575901 0.966725 0.102581 O\n0.424099 0.033275 0.897419 O\n",
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{
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"structure_string": "Mn12 Bi4 O32\n1.0\n8.609403 0.000000 0.000000\n0.000000 8.609403 0.000000\n0.000000 0.000000 8.609403\nMn Bi O\n12 4 32\ndirect\n0.098898 0.151102 0.625000 Mn\n0.125000 0.401102 0.848898 Mn\n0.151102 0.625000 0.098898 Mn\n0.348898 0.375000 0.598898 Mn\n0.375000 0.598898 0.348898 Mn\n0.401102 0.848898 0.125000 Mn\n0.598898 0.348898 0.375000 Mn\n0.625000 0.098898 0.151102 Mn\n0.651102 0.875000 0.901102 Mn\n0.848898 0.125000 0.401102 Mn\n0.875000 0.901102 0.651102 Mn\n0.901102 0.651102 0.875000 Mn\n0.125000 0.875000 0.375000 Bi\n0.375000 0.125000 0.875000 Bi\n0.625000 0.625000 0.625000 Bi\n0.875000 0.375000 0.125000 Bi\n0.071588 0.138399 0.402610 O\n0.097390 0.928412 0.638399 O\n0.125698 0.625698 0.874302 O\n0.111601 0.178412 0.847390 O\n0.138399 0.402610 0.071588 O\n0.124302 0.375698 0.624302 O\n0.152610 0.611601 0.321588 O\n0.178412 0.847390 0.111601 O\n0.321588 0.152610 0.611601 O\n0.347390 0.388399 0.821588 O\n0.375698 0.624302 0.124302 O\n0.361601 0.597390 0.571588 O\n0.388399 0.821588 0.347390 O\n0.374302 0.374302 0.374302 O\n0.402610 0.071588 0.138399 O\n0.428412 0.861601 0.902610 O\n0.571588 0.361601 0.597390 O\n0.597390 0.571588 0.361601 O\n0.625698 0.874302 0.125698 O\n0.611601 0.321588 0.152610 O\n0.638399 0.097390 0.928412 O\n0.624302 0.124302 0.375698 O\n0.652610 0.888399 0.678412 O\n0.678412 0.652610 0.888399 O\n0.821588 0.347390 0.388399 O\n0.847390 0.111601 0.178412 O\n0.875698 0.875698 0.875698 O\n0.861601 0.902610 0.428412 O\n0.888399 0.678412 0.652610 O\n0.874302 0.125698 0.625698 O\n0.902610 0.428412 0.861601 O\n0.928412 0.638399 0.097390 O\n",
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{
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"structure_string": "Ca28 Os4 N24\n1.0\n11.046330 0.000000 0.000000\n0.000000 6.312696 0.000000\n0.000000 0.000000 13.360485\nCa Os N\n28 4 24\ndirect\n0.035876 0.725911 0.981599 Ca\n0.464124 0.774089 0.481599 Ca\n0.535876 0.774089 0.018401 Ca\n0.964124 0.725911 0.518401 Ca\n0.964124 0.274089 0.018401 Ca\n0.535876 0.225911 0.518401 Ca\n0.464124 0.225911 0.981599 Ca\n0.035876 0.274089 0.481599 Ca\n0.222679 0.867798 0.629286 Ca\n0.277321 0.632202 0.129286 Ca\n0.722679 0.632202 0.370714 Ca\n0.777321 0.867798 0.870714 Ca\n0.777321 0.132202 0.370714 Ca\n0.722679 0.367798 0.870714 Ca\n0.277321 0.367798 0.629286 Ca\n0.222679 0.132202 0.129286 Ca\n0.289800 0.599592 0.888395 Ca\n0.210200 0.900408 0.388395 Ca\n0.789800 0.900408 0.111605 Ca\n0.710200 0.599592 0.611605 Ca\n0.710200 0.400408 0.111605 Ca\n0.789800 0.099592 0.611605 Ca\n0.210200 0.099592 0.888395 Ca\n0.289800 0.400408 0.388395 Ca\n-0.000000 0.436147 0.750000 Ca\n0.500000 0.063853 0.250000 Ca\n-0.000000 0.563853 0.250000 Ca\n0.500000 0.936147 0.750000 Ca\n-0.000000 0.926246 0.750000 Os\n0.500000 0.573754 0.250000 Os\n-0.000000 0.073754 0.250000 Os\n0.500000 0.426246 0.750000 Os\n0.128967 0.742277 0.799035 N\n0.371033 0.757723 0.299035 N\n0.628967 0.757723 0.200965 N\n0.871033 0.742277 0.700965 N\n0.871033 0.257723 0.200965 N\n0.628967 0.242277 0.700965 N\n0.371033 0.242277 0.799035 N\n0.128967 0.257723 0.299035 N\n0.167780 0.595005 0.512827 N\n0.332220 0.904995 0.012827 N\n0.667780 0.904995 0.487173 N\n0.832220 0.595005 0.987173 N\n0.832220 0.404995 0.487173 N\n0.667780 0.095005 0.987173 N\n0.332220 0.095005 0.512827 N\n0.167780 0.404995 0.012827 N\n0.468969 0.604626 0.636724 N\n0.031031 0.895374 0.136724 N\n0.968969 0.895374 0.363276 N\n0.531031 0.604626 0.863276 N\n0.531031 0.395374 0.363276 N\n0.968969 0.104626 0.863276 N\n0.031031 0.104626 0.636724 N\n0.468969 0.395374 0.136724 N\n",
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{
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