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{
"id": "mp-1103380",
"created_at": "2022-09-04T14:46:37.205038Z",
"structure_string": "Sr1 Tb2 Sc2 O7\n1.0\n2.860698 2.861304 0.000000\n-2.860698 2.861304 0.000000\n0.000000 -2.861304 10.120614\nSr Tb Sc O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.683030 0.683030 0.366059 Tb\n0.316970 0.316970 0.633941 Tb\n0.897269 0.897269 0.794539 Sc\n0.102731 0.102731 0.205461 Sc\n0.000000 0.000000 0.000000 O\n0.788306 0.788306 0.576612 O\n0.211694 0.211694 0.423388 O\n0.386130 0.886130 0.772260 O\n0.113870 0.613870 0.227740 O\n0.613870 0.113870 0.227740 O\n0.886130 0.386130 0.772260 O\n",
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{
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"spacegroup": 18
},
{
"id": "mp-1016647",
"created_at": "2022-09-04T14:46:37.212439Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n3.149559 -8.126582 0.000000\n3.149559 8.126582 0.000000\n0.000000 0.000000 3.960970\nBa Mg B\n1 6 1\ndirect\n0.224304 0.775696 0.000000 Ba\n0.187679 0.361674 0.000000 Mg\n0.638326 0.812321 0.000000 Mg\n0.647511 0.352489 0.000000 Mg\n0.290999 0.205248 0.500000 Mg\n0.794752 0.709001 0.500000 Mg\n0.807375 0.192625 0.500000 Mg\n0.409054 0.590946 0.500000 B\n",
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"formula_full": "Ba1 Mg6 B1",
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{
"id": "mp-1245125",
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"structure_string": "Mo25 O75\n1.0\n12.922234 0.624622 0.306049\n0.650525 12.977589 -0.110104\n0.338933 -0.099749 12.268551\nMo O\n25 75\ndirect\n0.883176 0.644429 0.153387 Mo\n0.874359 0.263004 0.026836 Mo\n0.090696 0.416478 0.721582 Mo\n0.214069 0.239949 0.522522 Mo\n0.162689 0.893665 0.405126 Mo\n0.149971 0.633895 0.529638 Mo\n0.830410 0.382910 0.762644 Mo\n0.684418 0.872536 0.764314 Mo\n0.460740 0.027641 0.123092 Mo\n0.070588 0.001510 0.146202 Mo\n0.254665 0.114792 0.956862 Mo\n0.732194 0.023978 0.107451 Mo\n0.792495 0.116033 0.403412 Mo\n0.922375 0.783551 0.449408 Mo\n0.619319 0.566702 0.243556 Mo\n0.447206 0.583333 0.500468 Mo\n0.264463 0.238844 0.275841 Mo\n0.146840 0.029188 0.649693 Mo\n0.150622 0.583093 0.153659 Mo\n0.502943 0.218928 0.373790 Mo\n0.467037 0.715963 0.862202 Mo\n0.393604 0.058703 0.705210 Mo\n0.633847 0.097820 0.585193 Mo\n0.681194 0.703564 0.511198 Mo\n0.452069 0.455431 0.955445 Mo\n0.802289 0.150556 0.062913 O\n0.720783 0.448970 0.715815 O\n0.191878 0.757574 0.418320 O\n0.906848 0.712901 0.272552 O\n0.546069 0.362937 0.994454 O\n0.776793 0.783856 0.433393 O\n0.918460 0.112391 0.442618 O\n0.232765 0.325681 0.176031 O\n0.011573 0.557097 0.121676 O\n0.867949 0.728852 0.049130 O\n0.757276 0.609357 0.571950 O\n0.256326 0.527308 0.044915 O\n0.368298 0.773409 0.948083 O\n0.135239 0.713704 0.640878 O\n0.452047 0.945747 0.646374 O\n0.219173 0.344521 0.620064 O\n0.945128 0.463076 0.721252 O\n0.893323 0.330539 0.144897 O\n0.526908 0.111882 0.473640 O\n0.172194 0.308433 0.396415 O\n0.176008 0.550350 0.286484 O\n0.326967 0.181136 0.444487 O\n0.630864 0.232231 0.329351 O\n0.488951 0.555174 0.360828 O\n0.075694 0.292572 0.763949 O\n0.412884 0.694208 0.739144 O\n0.225158 0.240380 0.924700 O\n0.725588 0.008774 0.485584 O\n0.803643 0.820136 0.797119 O\n0.853186 0.402164 0.931068 O\n0.977046 0.928809 0.100434 O\n0.003869 0.113521 0.196803 O\n0.716540 0.984737 0.972814 O\n0.095560 0.941979 0.543033 O\n0.770272 0.329686 0.910094 O\n0.755750 0.907706 0.171020 O\n0.415678 0.202237 0.251725 O\n0.395329 0.406250 0.845195 O\n0.204993 0.130034 0.246092 O\n0.573552 0.804272 0.843022 O\n0.509429 0.580681 0.915891 O\n0.367544 0.050112 0.853437 O\n0.993355 0.210811 0.972127 O\n0.243030 0.949431 0.712890 O\n0.112076 0.156070 0.546590 O\n0.412583 0.960935 0.231365 O\n0.145966 0.929547 0.257906 O\n0.661294 0.802517 0.627074 O\n0.454887 0.336554 0.432267 O\n0.269838 0.127797 0.647706 O\n0.114294 0.513286 0.583493 O\n0.540729 0.635117 0.155026 O\n0.298701 0.599299 0.513531 O\n0.620241 0.436907 0.213692 O\n0.052403 0.054395 0.750973 O\n0.138053 0.478464 0.829472 O\n0.152018 0.714725 0.148300 O\n0.760377 0.583162 0.174937 O\n0.277094 0.945312 0.428187 O\n0.351432 0.474669 0.080649 O\n0.494403 0.144068 0.687830 O\n0.157388 0.028907 0.020602 O\n0.918085 0.825649 0.582273 O\n0.490479 0.938115 0.019786 O\n0.592254 0.073561 0.154221 O\n0.855708 0.269408 0.688731 O\n0.353017 0.121724 0.067950 O\n0.664394 0.634283 0.375781 O\n0.667349 0.011679 0.711388 O\n0.019667 0.664444 0.458789 O\n0.705625 0.202785 0.551065 O\n0.494085 0.483268 0.577710 O\n0.525743 0.689851 0.531223 O\n0.991919 0.876626 0.380587 O\n0.790606 0.084711 0.260955 O\n",
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"formula_full": "Mo25 O75",
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},
{
"id": "mp-1113660",
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"structure_string": "Rb2 Nd1 Au1 Cl6\n1.0\n0.000000 5.480949 5.480949\n5.480949 0.000000 5.480949\n5.480949 5.480949 0.000000\nRb Nd Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Au\n0.751261 0.248739 0.248739 Cl\n0.248739 0.248739 0.751261 Cl\n0.248739 0.751261 0.751261 Cl\n0.248739 0.751261 0.248739 Cl\n0.751261 0.248739 0.751261 Cl\n0.751261 0.751261 0.248739 Cl\n",
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{
"id": "mp-667315",
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"structure_string": "Sc4 Nb24 Cl52 O12\n1.0\n-4.616060 4.616060 26.603512\n4.616060 -4.616060 26.603512\n4.616060 4.616060 -26.603512\nSc Nb Cl O\n4 24 52 12\ndirect\n0.094156 0.094156 0.000000 Sc\n0.905844 0.905844 0.000000 Sc\n0.844156 0.344156 0.500000 Sc\n0.655844 0.155844 0.500000 Sc\n0.824069 0.384593 0.276568 Nb\n0.713880 0.932815 0.965214 Nb\n0.682815 0.217601 0.718935 Nb\n0.929819 0.005807 0.308869 Nb\n0.782399 0.317185 0.281065 Nb\n0.053062 0.244193 0.424012 Nb\n0.297501 0.074069 0.939476 Nb\n0.755807 0.946938 0.575988 Nb\n0.615407 0.175931 0.723432 Nb\n0.108025 0.547501 0.723432 Nb\n0.067185 0.286120 0.034786 Nb\n0.925931 0.702499 0.060524 Nb\n0.251334 0.032399 0.965214 Nb\n0.820181 0.629050 0.575988 Nb\n0.370950 0.179819 0.424012 Nb\n0.641975 0.865407 0.939476 Nb\n0.967601 0.748666 0.034786 Nb\n0.452499 0.891975 0.276568 Nb\n0.696938 0.620950 0.691131 Nb\n0.036120 0.501334 0.718935 Nb\n0.994193 0.070181 0.691131 Nb\n0.134593 0.358025 0.060524 Nb\n0.498666 0.963880 0.281065 Nb\n0.379050 0.303062 0.308869 Nb\n0.397447 0.332874 0.667555 Cl\n0.991613 0.787133 0.837818 Cl\n0.697345 0.878624 0.718563 Cl\n0.715918 0.801596 0.325034 Cl\n0.493925 0.003903 0.872654 Cl\n0.002591 0.502591 0.500000 Cl\n0.618751 0.246097 0.990022 Cl\n0.846205 0.050685 0.837818 Cl\n0.160061 0.978782 0.281437 Cl\n0.667126 0.602553 0.332445 Cl\n0.256075 0.628729 0.009978 Cl\n0.672353 0.327647 0.000000 Cl\n0.378729 0.868751 0.872654 Cl\n0.082874 0.915319 0.435427 Cl\n0.728782 0.947345 0.318721 Cl\n0.605990 0.125000 0.980990 Cl\n0.996097 0.506075 0.127346 Cl\n0.665319 0.729892 0.332445 Cl\n0.628624 0.410061 0.681279 Cl\n0.800685 0.462867 0.704480 Cl\n0.497409 0.997409 0.500000 Cl\n0.949315 0.153795 0.162182 Cl\n0.131249 0.621271 0.127346 Cl\n0.476562 0.390883 0.674966 Cl\n0.551596 0.726562 0.585679 Cl\n0.273438 0.448404 0.414321 Cl\n0.198404 0.284082 0.674966 Cl\n0.753903 0.381249 0.009978 Cl\n0.052655 0.271218 0.681279 Cl\n0.352553 0.520108 0.435427 Cl\n0.252591 0.252591 0.000000 Cl\n0.422353 0.922353 0.844707 Cl\n0.875000 0.394010 0.019010 Cl\n0.212867 0.008387 0.162182 Cl\n0.084681 0.917126 0.564573 Cl\n0.537133 0.199315 0.295520 Cl\n0.609117 0.523438 0.325034 Cl\n0.371271 0.743925 0.990022 Cl\n0.140883 0.965918 0.414321 Cl\n0.144010 0.625000 0.019010 Cl\n0.021218 0.839939 0.718563 Cl\n0.758387 0.096205 0.295520 Cl\n0.903795 0.241613 0.704480 Cl\n0.121376 0.302655 0.281437 Cl\n0.077647 0.577647 0.155293 Cl\n0.034082 0.859117 0.585679 Cl\n0.589939 0.371376 0.318721 Cl\n0.327647 0.672353 0.000000 Cl\n0.270108 0.334681 0.667555 Cl\n0.375000 0.855990 0.980990 Cl\n0.479892 0.647447 0.564573 Cl\n0.747409 0.747409 0.000000 Cl\n0.927690 0.689618 0.795740 O\n0.822310 0.118050 0.261928 O\n0.868050 0.106122 0.795740 O\n0.131789 0.131789 0.000000 O\n0.310382 0.072310 0.204260 O\n0.868211 0.868211 0.000000 O\n0.618211 0.118211 0.500000 O\n0.439618 0.143878 0.261928 O\n0.856122 0.560382 0.738072 O\n0.881789 0.381789 0.500000 O\n0.881950 0.177690 0.738072 O\n0.893878 0.131950 0.204260 O\n",
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{
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"structure_string": "Co4 Cu3 O12\n1.0\n-2.986805 5.084828 -2.038509\n2.982374 5.090266 2.056214\n6.034919 -0.006111 -2.141588\nCo Cu O\n4 3 12\ndirect\n0.499980 0.499966 0.500100 Co\n0.500028 0.000074 0.999957 Co\n0.999969 0.499998 0.000004 Co\n0.000144 0.999978 0.499987 Co\n0.500234 0.999856 0.499979 Cu\n0.999795 0.499956 0.499851 Cu\n0.499966 0.499864 0.000215 Cu\n0.191721 0.135034 0.691384 O\n0.808326 0.864920 0.308569 O\n0.189821 0.510064 0.333387 O\n0.300150 0.188862 0.143836 O\n0.865718 0.328945 0.172139 O\n0.511929 0.299477 0.843982 O\n0.677423 0.188280 0.502551 O\n0.134077 0.671141 0.827802 O\n0.810162 0.489838 0.666686 O\n0.699856 0.811206 0.856013 O\n0.487985 0.700759 0.156157 O\n0.322714 0.811784 0.497402 O\n",
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