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{
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{
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"formula_full": "Li12 Si4 Ni4 O20",
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{
"id": "mp-1590",
"created_at": "2022-09-04T14:42:58.031125Z",
"structure_string": "Be12 Cr1\n1.0\n-3.596975 3.596975 2.061287\n3.596975 -3.596975 2.061287\n3.596975 3.596975 -2.061287\nBe Cr\n12 1\ndirect\n0.288714 0.500000 0.788714 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.500000 0.000000 Be\n0.651848 0.000000 0.651848 Be\n0.000000 0.348152 0.348152 Be\n0.000000 0.651848 0.651848 Be\n0.348152 0.000000 0.348152 Be\n0.711286 0.500000 0.211286 Be\n0.500000 0.288714 0.788714 Be\n0.500000 0.711286 0.211286 Be\n0.000000 0.000000 0.000000 Cr\n",
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"formula_full": "Be12 Cr1",
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{
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{
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{
"id": "mp-779758",
"created_at": "2022-09-04T14:47:15.523041Z",
"structure_string": "Li10 Co8 O16\n1.0\n2.898853 -5.023347 0.019636\n-5.811631 -0.006568 -0.009110\n0.022912 -0.037056 -9.542214\nLi Co O\n10 8 16\ndirect\n0.205335 0.801604 0.057396 Li\n0.626215 0.801172 0.058626 Li\n0.344137 0.660697 0.278149 Li\n0.014561 0.001040 0.479780 Li\n0.205358 0.380714 0.059007 Li\n0.824616 0.618829 0.559170 Li\n0.404029 0.198617 0.557665 Li\n0.683326 0.339071 0.779941 Li\n0.825022 0.199353 0.558710 Li\n0.013492 0.998743 0.980007 Li\n0.351632 0.671122 0.526739 Co\n0.680398 0.329221 0.026932 Co\n0.680163 0.836123 0.786531 Co\n0.184447 0.340432 0.786613 Co\n0.844274 0.659731 0.286498 Co\n0.844167 0.163726 0.286389 Co\n0.184608 0.836137 0.786254 Co\n0.348475 0.163712 0.286098 Co\n0.175468 0.833650 0.400533 O\n0.507113 0.984584 0.670935 O\n0.039334 0.515960 0.670231 O\n0.686011 0.833209 0.400506 O\n0.349082 0.670030 0.893658 O\n0.506613 0.515468 0.670627 O\n0.852190 0.675521 0.899543 O\n0.176826 0.324733 0.399400 O\n0.523461 0.484163 0.169955 O\n0.678999 0.329759 0.393562 O\n0.012164 0.995360 0.180353 O\n0.991014 0.484540 0.170251 O\n0.016844 0.004789 0.680406 O\n0.341617 0.166129 0.900667 O\n0.522711 0.015660 0.170641 O\n0.852876 0.166414 0.900505 O\n",
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{
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"structure_string": "Mn4 Cr4 H72 N24 F24\n1.0\n10.161731 0.000000 0.000000\n0.000000 10.161731 0.000000\n0.000000 0.000000 10.161731\nMn Cr H N F\n4 4 72 24 24\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.737299 0.046341 0.101193 H\n0.237299 0.453659 0.898807 H\n0.262701 0.546341 0.398807 H\n0.453659 0.898807 0.237299 H\n0.398807 0.262701 0.546341 H\n0.898807 0.237299 0.453659 H\n0.046341 0.101193 0.737299 H\n0.101193 0.737299 0.046341 H\n0.546341 0.398807 0.262701 H\n0.953659 0.601193 0.762701 H\n0.601193 0.762701 0.953659 H\n0.762701 0.953659 0.601193 H\n0.262701 0.953659 0.898807 H\n0.762701 0.546341 0.101193 H\n0.737299 0.453659 0.601193 H\n0.546341 0.101193 0.762701 H\n0.601193 0.737299 0.453659 H\n0.101193 0.762701 0.546341 H\n0.953659 0.898807 0.262701 H\n0.898807 0.262701 0.953659 H\n0.453659 0.601193 0.737299 H\n0.046341 0.398807 0.237299 H\n0.398807 0.237299 0.046341 H\n0.237299 0.046341 0.398807 H\n0.632758 0.038122 0.225196 H\n0.132758 0.461878 0.774804 H\n0.367242 0.538122 0.274804 H\n0.461878 0.774804 0.132758 H\n0.274804 0.367242 0.538122 H\n0.774804 0.132758 0.461878 H\n0.038122 0.225196 0.632758 H\n0.673239 0.369234 0.359004 H\n0.225196 0.632758 0.038122 H\n0.961878 0.725196 0.867242 H\n0.725196 0.867242 0.961878 H\n0.867242 0.961878 0.725196 H\n0.367242 0.961878 0.774804 H\n0.867242 0.538122 0.225196 H\n0.632758 0.461878 0.725196 H\n0.538122 0.225196 0.867242 H\n0.725196 0.632758 0.461878 H\n0.225196 0.867242 0.538122 H\n0.961878 0.774804 0.367242 H\n0.774804 0.367242 0.961878 H\n0.461878 0.725196 0.632758 H\n0.038122 0.274804 0.132758 H\n0.274804 0.132758 0.038122 H\n0.132758 0.038122 0.274804 H\n0.640996 0.173239 0.130766 H\n0.140996 0.326761 0.869234 H\n0.359004 0.673239 0.369234 H\n0.326761 0.869234 0.140996 H\n0.369234 0.359004 0.673239 H\n0.869234 0.140996 0.326761 H\n0.173239 0.130766 0.640996 H\n0.130766 0.640996 0.173239 H\n0.140996 0.173239 0.369234 H\n0.369234 0.140996 0.173239 H\n0.173239 0.369234 0.140996 H\n0.326761 0.630766 0.640996 H\n0.869234 0.359004 0.826761 H\n0.826761 0.869234 0.359004 H\n0.130766 0.859004 0.673239 H\n0.630766 0.640996 0.326761 H\n0.673239 0.130766 0.859004 H\n0.640996 0.326761 0.630766 H\n0.859004 0.673239 0.130766 H\n0.359004 0.826761 0.869234 H\n0.859004 0.826761 0.630766 H\n0.630766 0.859004 0.826761 H\n0.826761 0.630766 0.859004 H\n0.538122 0.274804 0.367242 H\n0.869813 0.144000 0.428099 N\n0.369813 0.356000 0.571901 N\n0.130187 0.644000 0.071901 N\n0.356000 0.571901 0.369813 N\n0.071901 0.130187 0.644000 N\n0.571901 0.369813 0.356000 N\n0.144000 0.428099 0.869813 N\n0.428099 0.869813 0.144000 N\n0.644000 0.071901 0.130187 N\n0.856000 0.928099 0.630187 N\n0.928099 0.630187 0.856000 N\n0.630187 0.856000 0.928099 N\n0.130187 0.856000 0.571901 N\n0.630187 0.644000 0.428099 N\n0.869813 0.356000 0.928099 N\n0.644000 0.428099 0.630187 N\n0.928099 0.869813 0.356000 N\n0.428099 0.630187 0.644000 N\n0.856000 0.571901 0.130187 N\n0.571901 0.130187 0.856000 N\n0.356000 0.928099 0.869813 N\n0.144000 0.071901 0.369813 N\n0.071901 0.369813 0.144000 N\n0.369813 0.144000 0.071901 N\n0.618655 0.141228 0.563052 F\n0.118655 0.358772 0.436948 F\n0.381345 0.641228 0.936948 F\n0.358772 0.436948 0.118655 F\n0.118655 0.141228 0.936948 F\n0.436948 0.118655 0.358772 F\n0.141228 0.563052 0.618655 F\n0.563052 0.618655 0.141228 F\n0.641228 0.936948 0.381345 F\n0.858772 0.063052 0.881345 F\n0.063052 0.881345 0.858772 F\n0.881345 0.858772 0.063052 F\n0.381345 0.858772 0.436948 F\n0.881345 0.641228 0.563052 F\n0.618655 0.358772 0.063052 F\n0.641228 0.563052 0.881345 F\n0.063052 0.618655 0.358772 F\n0.563052 0.881345 0.641228 F\n0.858772 0.436948 0.381345 F\n0.436948 0.381345 0.858772 F\n0.358772 0.063052 0.618655 F\n0.141228 0.936948 0.118655 F\n0.936948 0.118655 0.141228 F\n0.936948 0.381345 0.641228 F\n",
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{
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"structure_string": "Mg1 H12 S1 O9\n1.0\n4.896426 0.000000 0.000000\n-0.095119 6.298548 0.000000\n-0.248704 -3.014258 6.113411\nMg H S O\n1 12 1 9\ndirect\n0.984221 0.215642 0.575166 Mg\n0.442756 0.136342 0.433625 H\n0.412323 0.557742 0.493799 H\n0.396426 0.460169 0.899212 H\n0.747816 0.257306 0.220873 H\n0.109607 0.633177 0.473619 H\n0.550742 0.781443 0.178289 H\n0.141008 0.377356 0.977412 H\n0.923480 0.742516 0.961084 H\n0.713819 0.586375 0.203739 H\n0.178752 0.157388 0.082321 H\n0.197426 0.283245 0.167864 H\n0.314718 0.884347 0.425124 H\n0.697622 0.906659 0.792175 S\n0.293274 0.631862 0.420760 O\n0.826396 0.367723 0.375852 O\n0.628393 0.357709 0.533119 O\n0.201228 0.408088 0.856639 O\n0.657961 0.145974 0.978251 O\n0.671575 0.650558 0.099098 O\n0.811249 0.947162 0.605316 O\n0.980770 0.812403 0.862272 O\n0.278018 0.017974 0.384389 O\n",
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{
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