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{
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"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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{
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{
"id": "mp-1028379",
"created_at": "2022-09-04T14:39:05.895323Z",
"structure_string": "Mg14 Ni1 Mo1\n1.0\n6.259023 -0.000000 -0.000000\n-3.129512 5.420473 0.000000\n0.000000 -0.000000 9.730772\nMg Ni Mo\n14 1 1\ndirect\n0.164823 0.832411 0.125000 Mg\n0.171683 0.835841 0.625000 Mg\n0.667589 0.335177 0.125000 Mg\n0.664159 0.328317 0.625000 Mg\n0.667589 0.832411 0.125000 Mg\n0.664159 0.835841 0.625000 Mg\n0.323145 0.176854 0.371759 Mg\n0.323145 0.176854 0.878241 Mg\n0.323145 0.646292 0.371759 Mg\n0.323145 0.646292 0.878241 Mg\n0.853708 0.176854 0.371759 Mg\n0.853708 0.176854 0.878241 Mg\n0.833333 0.666667 0.378367 Mg\n0.833333 0.666667 0.871633 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 Mo\n",
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"density": 2.4893072567418018,
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"formula_full": "Mg14 Ni1 Mo1",
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{
"id": "mp-16764",
"created_at": "2022-09-04T14:39:05.904620Z",
"structure_string": "Rb2 Y2 Te4\n1.0\n2.262250 -3.918331 0.000000\n2.262250 3.918331 0.000000\n0.000000 0.000000 17.167332\nRb Y Te\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.599738 Te\n0.666667 0.333333 0.099738 Te\n0.666667 0.333333 0.400262 Te\n0.333333 0.666667 0.900262 Te\n",
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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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"formula_full": "Na2 Mo6 P6 O32",
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"energy": -366.85842955,
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{
"id": "mp-773037",
"created_at": "2022-09-04T14:39:05.913756Z",
"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": "Be1 Pd2\n1.0\n-1.386777 1.386777 4.964592\n1.386777 -1.386777 4.964592\n1.386777 1.386777 -4.964592\nBe Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.356659 0.356659 0.000000 Pd\n0.643341 0.643341 0.000000 Pd\n",
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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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}