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{
"id": "mp-1221064",
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"structure_string": "Na2 Eu2 Ti4 O12\n1.0\n5.437820 0.000000 0.000000\n0.000000 5.505221 0.000000\n0.000000 0.000000 7.745910\nNa Eu Ti O\n2 2 4 12\ndirect\n0.495642 0.777096 0.500000 Na\n0.995642 0.222904 0.000000 Na\n0.005504 0.290010 0.500000 Eu\n0.505504 0.709990 0.000000 Eu\n0.503674 0.243380 0.751217 Ti\n0.003674 0.756620 0.251217 Ti\n0.503674 0.243380 0.248783 Ti\n0.003674 0.756620 0.748783 Ti\n0.571658 0.235099 0.500000 O\n0.941732 0.734161 0.500000 O\n0.441732 0.265839 0.000000 O\n0.071658 0.764901 0.000000 O\n0.282068 0.533523 0.720385 O\n0.206990 0.042083 0.287554 O\n0.706990 0.957917 0.212446 O\n0.782068 0.466477 0.779615 O\n0.706990 0.957917 0.787554 O\n0.782068 0.466477 0.220385 O\n0.282068 0.533523 0.279615 O\n0.206990 0.042083 0.712446 O\n",
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{
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"formula_full": "Te1 H6 O6",
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"spacegroup": 87
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{
"id": "mp-756013",
"created_at": "2022-09-04T14:48:29.070505Z",
"structure_string": "Pr2 Si2 O8\n1.0\n-3.643972 3.643972 3.229248\n3.643972 -3.643972 3.229248\n3.643972 3.643972 -3.229248\nPr Si O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.485474 0.660495 0.824980 O\n0.339505 0.164485 0.824980 O\n0.339505 0.514526 0.175020 O\n0.835515 0.660495 0.175020 O\n0.414485 0.089505 0.324980 O\n0.910495 0.585515 0.675020 O\n0.910495 0.235474 0.324980 O\n0.764526 0.089505 0.675020 O\n",
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"formula_full": "Pr2 Si2 O8",
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{
"id": "mp-1100361",
"created_at": "2022-09-04T14:48:29.069887Z",
"structure_string": "Ca16 Sn12 S40\n1.0\n6.802709 0.000000 0.000000\n0.000000 7.171714 0.000000\n0.000000 0.000000 33.028855\nCa Sn S\n16 12 40\ndirect\n0.973902 0.588750 0.570240 Ca\n0.473902 0.911250 0.429760 Ca\n0.026098 0.088750 0.929760 Ca\n0.526098 0.411250 0.070240 Ca\n0.026098 0.411250 0.429760 Ca\n0.526098 0.088750 0.570240 Ca\n0.973902 0.911250 0.070240 Ca\n0.473902 0.588750 0.929760 Ca\n0.511894 0.916838 0.704797 Ca\n0.011894 0.583162 0.295203 Ca\n0.488106 0.416838 0.795203 Ca\n0.988106 0.083162 0.204797 Ca\n0.488106 0.083162 0.295203 Ca\n0.988106 0.416838 0.704797 Ca\n0.511894 0.583162 0.204797 Ca\n0.011894 0.916838 0.795203 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.996337 0.000362 0.645739 Sn\n0.496337 0.499638 0.354261 Sn\n0.003663 0.500362 0.854261 Sn\n0.503663 0.999638 0.145739 Sn\n0.003663 0.999638 0.354261 Sn\n0.503663 0.500362 0.645739 Sn\n0.996337 0.499638 0.145739 Sn\n0.496337 0.000362 0.854261 Sn\n0.130845 0.951429 0.572686 S\n0.630845 0.548571 0.427314 S\n0.869155 0.451429 0.927314 S\n0.369155 0.048571 0.072686 S\n0.869155 0.048571 0.427314 S\n0.369155 0.451429 0.572686 S\n0.130845 0.548571 0.072686 S\n0.630845 0.951429 0.927314 S\n0.892554 0.044136 0.718038 S\n0.392554 0.455864 0.281962 S\n0.107446 0.544136 0.781962 S\n0.607446 0.955864 0.218038 S\n0.107446 0.955864 0.281962 S\n0.607446 0.544136 0.718038 S\n0.892554 0.455864 0.218038 S\n0.392554 0.044136 0.781962 S\n0.816292 0.314638 0.624638 S\n0.316292 0.185362 0.375362 S\n0.183708 0.814638 0.875362 S\n0.683708 0.685362 0.124638 S\n0.183708 0.685362 0.375362 S\n0.683708 0.814638 0.624638 S\n0.816292 0.185362 0.124638 S\n0.316292 0.314638 0.875362 S\n0.191278 0.701945 0.663856 S\n0.691278 0.798055 0.336144 S\n0.808722 0.201945 0.836144 S\n0.308722 0.298055 0.163856 S\n0.808722 0.298055 0.336144 S\n0.308722 0.201945 0.663856 S\n0.191278 0.798055 0.163856 S\n0.691278 0.701945 0.836144 S\n0.316278 0.189187 0.483029 S\n0.816278 0.310813 0.516971 S\n0.683722 0.689187 0.016971 S\n0.183722 0.810813 0.983029 S\n0.683722 0.810813 0.516971 S\n0.183722 0.689187 0.483029 S\n0.316278 0.310813 0.983029 S\n0.816278 0.189187 0.016971 S\n",
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"elements": [
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"formula_full": "Ca16 Sn12 S40",
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"spacegroup": 61
},
{
"id": "mp-1048318",
"created_at": "2022-09-04T14:48:29.064862Z",
"structure_string": "Ca4 Fe2 W2 O12\n1.0\n2.801216 2.797437 4.023553\n0.004478 5.615654 0.031349\n-8.407284 -2.698593 4.000249\nCa Fe W O\n4 2 2 12\ndirect\n0.408799 0.393836 0.135768 Ca\n0.910606 0.894900 0.636914 Ca\n0.654538 0.640145 0.884518 Ca\n0.157708 0.139622 0.384955 Ca\n0.254976 0.239249 0.750762 Fe\n0.756458 0.737692 0.251233 Fe\n0.996991 0.981838 0.999325 W\n0.498355 0.482146 0.498470 W\n0.892177 0.307284 0.570541 O\n0.390787 0.804327 0.070630 O\n0.525466 0.680762 0.372656 O\n0.023347 0.180022 0.874549 O\n0.415206 0.790617 0.660314 O\n0.914657 0.285479 0.161076 O\n0.096062 0.629498 0.427856 O\n0.595511 0.126102 0.927073 O\n0.545784 0.172073 0.333181 O\n0.046233 0.667205 0.833650 O\n0.460172 0.256632 0.607776 O\n0.956897 0.755532 0.109107 O\n",
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{
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"created_at": "2022-09-04T14:48:29.061425Z",
"structure_string": "Zn4 Bi8 O20\n1.0\n11.807116 0.000000 0.000000\n0.000000 5.491370 0.000000\n0.000000 3.314394 8.279846\nZn Bi O\n4 8 20\ndirect\n0.089427 0.537927 0.851303 Zn\n0.910573 0.462073 0.148697 Zn\n0.589427 0.462073 0.648697 Zn\n0.410573 0.537927 0.351303 Zn\n0.385047 0.152119 0.055314 Bi\n0.614953 0.847881 0.944686 Bi\n0.885047 0.847881 0.444686 Bi\n0.114953 0.152119 0.555314 Bi\n0.894583 0.063019 0.850720 Bi\n0.105417 0.936981 0.149280 Bi\n0.605417 0.063019 0.350720 Bi\n0.394583 0.936981 0.649280 Bi\n0.953592 0.884959 0.654182 O\n0.038264 0.354976 0.683581 O\n0.807370 0.188277 0.293253 O\n0.480632 0.747688 0.489905 O\n0.717920 0.719262 0.519623 O\n0.782080 0.719262 0.019623 O\n0.461736 0.354976 0.183581 O\n0.538264 0.645024 0.816419 O\n0.519368 0.252312 0.510095 O\n0.453592 0.115041 0.845818 O\n0.282080 0.280738 0.480377 O\n0.046408 0.115041 0.345818 O\n0.546408 0.884959 0.154182 O\n0.217920 0.280738 0.980377 O\n0.980632 0.252312 0.010095 O\n0.019368 0.747688 0.989905 O\n0.192630 0.811723 0.706747 O\n0.961736 0.645024 0.316419 O\n0.307370 0.811723 0.206747 O\n0.692630 0.188277 0.793253 O\n",
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{
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"structure_string": "Fe2 Te1 Se1\n1.0\n3.755398 0.000000 0.000000\n0.000000 3.755398 0.000000\n0.000000 0.000000 5.937717\nFe Te Se\n2 1 1\ndirect\n0.500000 0.000000 0.012283 Fe\n0.000000 0.500000 0.012283 Fe\n0.500000 0.500000 0.738518 Te\n0.000000 0.000000 0.236916 Se\n",
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{
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"structure_string": "Mg2 Mo4 O14\n1.0\n6.797899 0.000000 0.000000\n0.000000 6.459199 0.000000\n0.000000 2.383598 7.847873\nMg Mo O\n2 4 14\ndirect\n0.137504 0.099410 0.357461 Mg\n0.637504 0.900590 0.642539 Mg\n0.142563 0.898817 0.793023 Mo\n0.642563 0.101183 0.206977 Mo\n0.685202 0.364992 0.774163 Mo\n0.185202 0.635008 0.225837 Mo\n0.377262 0.578759 0.367167 O\n0.877262 0.421241 0.632833 O\n0.760579 0.042617 0.415266 O\n0.260579 0.957383 0.584734 O\n0.029962 0.400806 0.278397 O\n0.529962 0.599194 0.721603 O\n0.398436 0.186764 0.231856 O\n0.898436 0.813236 0.768144 O\n0.062239 0.871422 0.248622 O\n0.562239 0.128578 0.751378 O\n0.260352 0.699180 0.988280 O\n0.760352 0.300820 0.011720 O\n0.120844 0.137249 0.844512 O\n0.620844 0.862751 0.155488 O\n",
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{
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"structure_string": "Li1 Er4 Be4 Si2 O14\n1.0\n0.000000 0.000000 4.765054\n7.401518 0.000000 0.000000\n0.000000 7.401518 0.000000\nLi Er Be Si O\n1 4 4 2 14\ndirect\n0.500000 0.000000 0.000000 Li\n0.511707 0.166260 0.642792 Er\n0.511707 0.833740 0.357208 Er\n0.488292 0.642792 0.833740 Er\n0.488292 0.357208 0.166260 Er\n0.961581 0.635995 0.135409 Be\n0.961581 0.364005 0.864591 Be\n0.038419 0.135409 0.364005 Be\n0.038419 0.864591 0.635995 Be\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.181361 0.000000 0.500000 O\n0.818639 0.500000 0.000000 O\n0.294651 0.643543 0.139672 O\n0.294651 0.356457 0.860328 O\n0.705349 0.139672 0.356457 O\n0.705349 0.860328 0.643543 O\n0.209727 0.081223 0.158115 O\n0.209727 0.918777 0.841885 O\n0.790273 0.158115 0.918777 O\n0.798504 0.420756 0.663238 O\n0.790273 0.841885 0.081223 O\n0.798504 0.579244 0.336762 O\n0.201496 0.336762 0.420756 O\n0.201496 0.663238 0.579244 O\n",
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{
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{
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{
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}