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{
"id": "mp-1213052",
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"structure_string": "Na6 Mo18 P2 H20 O68\n1.0\n7.233382 -12.528585 0.000000\n7.233382 12.528585 0.000000\n0.000000 0.000000 10.537271\nNa Mo P H O\n6 18 2 20 68\ndirect\n0.375958 0.195253 0.758586 Na\n0.804747 0.180705 0.758586 Na\n0.624042 0.804747 0.258586 Na\n0.819295 0.624042 0.758586 Na\n0.195253 0.819295 0.258586 Na\n0.180705 0.375958 0.258586 Na\n0.238370 0.508179 0.930497 Mo\n0.491821 0.730191 0.930497 Mo\n0.761630 0.491821 0.430497 Mo\n0.269809 0.761630 0.930497 Mo\n0.508179 0.269809 0.430497 Mo\n0.730191 0.238370 0.430497 Mo\n0.054680 0.465267 0.663207 Mo\n0.534733 0.589414 0.663207 Mo\n0.945320 0.534733 0.163207 Mo\n0.410586 0.945320 0.663207 Mo\n0.465267 0.410586 0.163207 Mo\n0.589414 0.054680 0.163207 Mo\n0.273437 0.388463 0.615024 Mo\n0.611537 0.884975 0.615024 Mo\n0.726563 0.611537 0.115024 Mo\n0.115025 0.726563 0.615024 Mo\n0.388463 0.115025 0.115024 Mo\n0.884975 0.273437 0.115024 Mo\n0.333333 0.666667 0.645599 P\n0.666667 0.333333 0.145599 P\n0.081107 0.016587 0.566456 H\n0.983413 0.064520 0.566456 H\n0.918893 0.983413 0.066456 H\n0.935480 0.918893 0.566456 H\n0.016587 0.935480 0.066456 H\n0.064520 0.081107 0.066456 H\n0.258152 0.242714 0.892632 H\n0.757286 0.015438 0.892632 H\n0.741848 0.757286 0.392632 H\n0.984562 0.741848 0.892632 H\n0.242714 0.984562 0.392632 H\n0.015438 0.258152 0.392632 H\n0.013916 0.198809 0.847858 H\n0.801191 0.815108 0.847858 H\n0.986084 0.801191 0.347858 H\n0.184892 0.986084 0.847858 H\n0.198809 0.184892 0.347858 H\n0.815108 0.013916 0.347858 H\n0.000000 0.000000 0.570651 H\n0.000000 0.000000 0.070651 H\n0.421809 0.069053 0.679800 O\n0.930947 0.352756 0.679800 O\n0.578191 0.930947 0.179800 O\n0.647244 0.578191 0.679800 O\n0.069053 0.647244 0.179800 O\n0.352756 0.421809 0.179800 O\n0.619562 0.085055 0.976328 O\n0.914945 0.534508 0.976328 O\n0.380438 0.914945 0.476328 O\n0.465492 0.380438 0.976328 O\n0.085055 0.465492 0.476328 O\n0.534508 0.619562 0.476328 O\n0.112089 0.488173 0.823071 O\n0.511827 0.623916 0.823071 O\n0.887911 0.511827 0.323071 O\n0.376084 0.887911 0.823071 O\n0.488173 0.376084 0.323071 O\n0.623916 0.112089 0.323071 O\n0.387646 0.116661 0.948858 O\n0.883339 0.270985 0.948858 O\n0.612354 0.883339 0.448858 O\n0.729015 0.612354 0.948858 O\n0.116661 0.729015 0.448858 O\n0.270985 0.387646 0.448858 O\n0.587543 0.212343 0.498165 O\n0.787657 0.375200 0.498165 O\n0.412457 0.787657 0.998165 O\n0.624800 0.412457 0.498165 O\n0.212343 0.624800 0.998165 O\n0.375200 0.587543 0.998165 O\n0.218342 0.632009 0.600800 O\n0.367991 0.586332 0.600800 O\n0.781658 0.367991 0.100800 O\n0.413668 0.781658 0.600800 O\n0.632009 0.413668 0.100800 O\n0.586332 0.218342 0.100800 O\n0.226494 0.256343 0.656469 O\n0.743657 0.970151 0.656469 O\n0.773506 0.743657 0.156469 O\n0.029849 0.773506 0.656469 O\n0.256343 0.029849 0.156469 O\n0.970151 0.226494 0.156469 O\n0.139892 0.396669 0.619277 O\n0.603331 0.743224 0.619277 O\n0.860108 0.603331 0.119277 O\n0.256776 0.860108 0.619277 O\n0.396669 0.256776 0.119277 O\n0.743224 0.139892 0.119277 O\n0.266906 0.438817 0.803867 O\n0.561183 0.828089 0.803867 O\n0.733094 0.561183 0.303867 O\n0.171911 0.733094 0.803867 O\n0.438817 0.171911 0.303867 O\n0.828089 0.266906 0.303867 O\n0.410902 0.237539 0.544722 O\n0.762461 0.173363 0.544722 O\n0.589098 0.762461 0.044722 O\n0.826637 0.589098 0.544722 O\n0.237539 0.826637 0.044722 O\n0.173363 0.410902 0.044722 O\n0.018307 0.573630 0.647459 O\n0.426370 0.444676 0.647459 O\n0.981693 0.426370 0.147459 O\n0.555324 0.981693 0.647459 O\n0.573630 0.555324 0.147459 O\n0.444676 0.018307 0.147459 O\n0.333333 0.666667 0.794627 O\n0.666667 0.333333 0.294627 O\n",
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"formula_full": "Na6 Mo18 P2 H20 O68",
"formula_reduced": "Na3Mo9P(H5O17)2",
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"updated_at": "2021-11-28T01:34:57.450000Z",
"spacegroup": 173
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{
"id": "mp-1234111",
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"structure_string": "Sr4 Ca1 Mn2 Cu3 S4 O4\n1.0\n-4.039689 4.634712 -0.006293\n-4.062849 -4.655019 0.006064\n-2.019730 2.305026 8.903433\nSr Ca Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.327417 0.073512 0.194257 Sr\n0.988680 0.434189 0.194099 Sr\n0.084959 0.510476 0.807753 Sr\n0.604514 0.988361 0.809576 Sr\n0.646039 0.744063 0.199826 Ca\n0.526266 0.492125 0.941947 Mn\n0.029876 0.005778 0.944754 Mn\n0.495867 0.247760 0.516533 Cu\n0.482969 0.753761 0.530084 Cu\n0.990595 0.247173 0.514591 Cu\n0.182206 0.997908 0.661682 S\n0.653097 0.505653 0.660941 S\n0.313180 0.479153 0.395043 S\n0.792731 0.019702 0.388638 S\n0.251105 0.249864 0.996290 O\n0.771589 0.749717 0.956466 O\n0.749630 0.250727 0.996349 O\n0.244695 0.750075 0.012602 O\n",
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"formula_full": "Sr4 Ca1 Mn2 Cu3 S4 O4",
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"spacegroup": 1
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{
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"structure_string": "Nd1 Rh3 C1\n1.0\n4.238650 0.000000 0.000000\n0.000000 4.238650 0.000000\n0.000000 0.000000 4.238650\nNd Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
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"formula_full": "Nd1 Rh3 C1",
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"spacegroup": 221
},
{
"id": "mp-1194164",
"created_at": "2022-09-04T14:40:25.410839Z",
"structure_string": "In2 Co21 B6\n1.0\n0.000000 5.284196 5.284196\n5.284196 0.000000 5.284196\n5.284196 5.284196 0.000000\nIn Co B\n2 21 6\ndirect\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Co\n0.613503 0.613503 0.159491 Co\n0.613503 0.159491 0.613503 Co\n0.159491 0.613503 0.613503 Co\n0.613503 0.613503 0.613503 Co\n0.386497 0.386497 0.840509 Co\n0.386497 0.840509 0.386497 Co\n0.840509 0.386497 0.386497 Co\n0.386497 0.386497 0.386497 Co\n0.000000 0.000000 0.334853 Co\n0.665147 0.000000 0.334853 Co\n0.000000 0.665147 0.334853 Co\n0.665147 0.334853 0.000000 Co\n0.000000 0.334853 0.000000 Co\n0.000000 0.334853 0.665147 Co\n0.334853 0.665147 0.000000 Co\n0.334853 0.000000 0.665147 Co\n0.334853 0.000000 0.000000 Co\n0.000000 0.000000 0.665147 Co\n0.000000 0.665147 0.000000 Co\n0.665147 0.000000 0.000000 Co\n0.723735 0.723735 0.276265 B\n0.276265 0.723735 0.276265 B\n0.723735 0.276265 0.276265 B\n0.276265 0.276265 0.723735 B\n0.723735 0.276265 0.723735 B\n0.276265 0.723735 0.723735 B\n",
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{
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"created_at": "2022-09-04T14:40:25.409184Z",
"structure_string": "Cs1 Ca1 Mg14\n1.0\n6.816085 0.000000 0.000000\n-3.408043 5.902902 -0.000000\n0.000000 -0.000000 10.703596\nCs Ca Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Ca\n0.173207 0.836603 0.125000 Mg\n0.172559 0.836279 0.625000 Mg\n0.663397 0.326793 0.125000 Mg\n0.663721 0.327441 0.625000 Mg\n0.663397 0.836603 0.125000 Mg\n0.663721 0.836279 0.625000 Mg\n0.344121 0.155879 0.365281 Mg\n0.344121 0.155879 0.884719 Mg\n0.344121 0.688243 0.365281 Mg\n0.344121 0.688243 0.884719 Mg\n0.811757 0.155879 0.365281 Mg\n0.811757 0.155879 0.884719 Mg\n0.833333 0.666667 0.376051 Mg\n0.833333 0.666667 0.873949 Mg\n",
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{
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"structure_string": "Cs2 Re1 F6\n1.0\n3.165624 -5.483022 0.000000\n3.165624 5.483022 0.000000\n0.000000 0.000000 5.107352\nCs Re F\n2 1 6\ndirect\n0.333333 0.666667 0.311018 Cs\n0.666667 0.333333 0.688982 Cs\n0.000000 0.000000 0.000000 Re\n0.847052 0.152948 0.211354 F\n0.152948 0.847052 0.788646 F\n0.847052 0.694104 0.211354 F\n0.152948 0.305896 0.788646 F\n0.305896 0.152948 0.211354 F\n0.694104 0.847052 0.788646 F\n",
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{
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"structure_string": "Li8 Mn8 Si8 O28\n1.0\n13.420356 0.000000 0.000000\n0.000000 5.546400 0.000000\n0.000000 5.528195 8.548269\nLi Mn Si O\n8 8 8 28\ndirect\n0.356722 0.727708 0.117361 Li\n0.743115 0.034025 0.167772 Li\n0.243115 0.965975 0.332228 Li\n0.856722 0.272292 0.382639 Li\n0.143278 0.727708 0.617361 Li\n0.756885 0.034025 0.667772 Li\n0.256885 0.965975 0.832228 Li\n0.643278 0.272292 0.882639 Li\n0.086123 0.543031 0.113224 Mn\n0.490892 0.159622 0.197947 Mn\n0.990892 0.840378 0.302053 Mn\n0.586123 0.456969 0.386776 Mn\n0.413877 0.543031 0.613224 Mn\n0.009108 0.159622 0.697947 Mn\n0.509108 0.840378 0.802053 Mn\n0.913877 0.456969 0.886776 Mn\n0.882186 0.779897 0.041578 Si\n0.673112 0.642716 0.040808 Si\n0.173112 0.357284 0.459192 Si\n0.382186 0.220103 0.458422 Si\n0.617814 0.779897 0.541578 Si\n0.826888 0.642716 0.540808 Si\n0.326888 0.357284 0.959192 Si\n0.117814 0.220103 0.958422 Si\n0.794689 0.567722 0.038583 O\n0.168458 0.921145 0.001604 O\n0.035203 0.197452 0.085547 O\n0.619521 0.350336 0.067667 O\n0.357171 0.072264 0.131103 O\n0.658276 0.709523 0.176848 O\n0.938453 0.595588 0.212966 O\n0.438453 0.404412 0.287034 O\n0.158276 0.290477 0.323152 O\n0.857171 0.927736 0.368897 O\n0.119521 0.649664 0.432333 O\n0.535203 0.802548 0.414453 O\n0.668458 0.078855 0.498396 O\n0.294689 0.432278 0.461417 O\n0.705311 0.567722 0.538583 O\n0.331542 0.921145 0.501604 O\n0.464797 0.197452 0.585547 O\n0.880479 0.350336 0.567667 O\n0.142829 0.072264 0.631103 O\n0.841724 0.709523 0.676848 O\n0.561547 0.595588 0.712966 O\n0.061547 0.404412 0.787034 O\n0.341724 0.290477 0.823152 O\n0.642829 0.927736 0.868897 O\n0.380479 0.649664 0.932333 O\n0.964797 0.802548 0.914453 O\n0.831542 0.078855 0.998396 O\n0.205311 0.432278 0.961417 O\n",
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{
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"structure_string": "Re6 Ge14\n1.0\n1.633880 -4.568410 0.000000\n1.633880 4.568410 0.000000\n0.000000 0.000000 22.158171\nRe Ge\n6 14\ndirect\n0.481180 0.518820 0.250000 Re\n0.518820 0.481180 0.750000 Re\n0.926517 0.073483 0.059306 Re\n0.073483 0.926517 0.940694 Re\n0.073483 0.926517 0.559306 Re\n0.926517 0.073483 0.440694 Re\n0.763695 0.236305 0.250000 Ge\n0.236305 0.763695 0.750000 Ge\n0.645899 0.354101 0.031969 Ge\n0.354101 0.645899 0.968031 Ge\n0.354101 0.645899 0.531969 Ge\n0.645899 0.354101 0.468031 Ge\n0.940894 0.059106 0.837819 Ge\n0.059106 0.940894 0.162181 Ge\n0.059106 0.940894 0.337819 Ge\n0.940894 0.059106 0.662181 Ge\n0.676137 0.323863 0.863677 Ge\n0.323863 0.676137 0.136323 Ge\n0.323863 0.676137 0.363677 Ge\n0.676137 0.323863 0.636323 Ge\n",
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