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{
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"structure_string": "K3 Ba7 Ti10 O27 F3\n1.0\n3.992043 0.000000 0.000000\n0.000000 3.992043 0.000000\n0.000000 0.000000 40.867623\nK Ba Ti O F\n3 7 10 27 3\ndirect\n0.000000 0.000000 0.600068 K\n0.000000 0.000000 0.800754 K\n0.000000 0.000000 0.899151 K\n0.000000 0.000000 0.999287 Ba\n0.000000 0.000000 0.099985 Ba\n0.000000 0.000000 0.200009 Ba\n0.000000 0.000000 0.299984 Ba\n0.000000 0.000000 0.400034 Ba\n0.000000 0.000000 0.500740 Ba\n0.000000 0.000000 0.699970 Ba\n0.500000 0.500000 0.050778 Ti\n0.500000 0.500000 0.249984 Ti\n0.500000 0.500000 0.150208 Ti\n0.500000 0.500000 0.449297 Ti\n0.500000 0.500000 0.349784 Ti\n0.500000 0.500000 0.547369 Ti\n0.500000 0.500000 0.747723 Ti\n0.500000 0.500000 0.651781 Ti\n0.500000 0.500000 0.850094 Ti\n0.500000 0.500000 0.952903 Ti\n0.000000 0.500000 0.050480 O\n0.000000 0.500000 0.150112 O\n0.000000 0.500000 0.250000 O\n0.000000 0.500000 0.349904 O\n0.000000 0.500000 0.449594 O\n0.000000 0.500000 0.548834 O\n0.000000 0.500000 0.650644 O\n0.000000 0.500000 0.749042 O\n0.000000 0.500000 0.850064 O\n0.000000 0.500000 0.951338 O\n0.500000 0.000000 0.050480 O\n0.500000 0.500000 0.000512 O\n0.500000 0.000000 0.150112 O\n0.500000 0.000000 0.250000 O\n0.500000 0.500000 0.200023 O\n0.500000 0.500000 0.100174 O\n0.500000 0.000000 0.349904 O\n0.500000 0.000000 0.449594 O\n0.500000 0.500000 0.399884 O\n0.500000 0.500000 0.300003 O\n0.500000 0.000000 0.548834 O\n0.500000 0.500000 0.499624 O\n0.500000 0.000000 0.749042 O\n0.500000 0.500000 0.699840 O\n0.500000 0.000000 0.650644 O\n0.500000 0.000000 0.850064 O\n0.500000 0.000000 0.951338 O\n0.500000 0.500000 0.599828 F\n0.500000 0.500000 0.799847 F\n0.500000 0.500000 0.900336 F\n",
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{
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"structure_string": "Ca1 Nd1 Mn4 O12\n1.0\n0.000000 3.725969 3.827170\n0.000000 -3.725969 3.827170\n7.557405 0.000000 0.000000\nCa Nd Mn O\n1 1 4 12\ndirect\n0.509823 0.509823 -0.000000 Ca\n0.981991 0.981991 0.500000 Nd\n0.495269 0.001729 0.754658 Mn\n0.495269 0.001729 0.245342 Mn\n0.001729 0.495269 0.245342 Mn\n0.001729 0.495269 0.754658 Mn\n0.713637 0.287435 0.745372 O\n0.287435 0.713637 0.745372 O\n0.287435 0.713637 0.254628 O\n0.713637 0.287435 0.254628 O\n0.789440 0.789440 0.784893 O\n0.213060 0.213060 0.705268 O\n0.213060 0.213060 0.294732 O\n0.789440 0.789440 0.215107 O\n0.450334 0.059558 -0.000000 O\n0.537465 0.962189 0.500000 O\n0.059558 0.450334 -0.000000 O\n0.962189 0.537465 0.500000 O\n",
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"formula_full": "Ca1 Nd1 Mn4 O12",
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{
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"structure_string": "Ba8 H16 O16\n1.0\n8.100481 0.000000 0.000000\n0.000000 6.891123 0.000000\n0.000000 5.946281 9.258397\nBa H O\n8 16 16\ndirect\n0.868657 0.345563 0.901734 Ba\n0.631343 0.345563 0.401734 Ba\n0.131343 0.654437 0.098266 Ba\n0.368657 0.654437 0.598266 Ba\n0.973722 0.967862 0.326861 Ba\n0.526278 0.967862 0.826861 Ba\n0.026278 0.032138 0.673139 Ba\n0.473722 0.032138 0.173139 Ba\n0.965331 0.534901 0.615811 H\n0.534669 0.534901 0.115811 H\n0.034669 0.465099 0.384189 H\n0.465331 0.465099 0.884189 H\n0.167362 0.202195 0.025277 H\n0.332638 0.202195 0.525277 H\n0.832638 0.797805 0.974723 H\n0.667362 0.797805 0.474723 H\n0.191107 0.250167 0.815371 H\n0.308893 0.250167 0.315371 H\n0.808893 0.749833 0.184629 H\n0.691107 0.749833 0.684629 H\n0.266820 0.559410 0.396946 H\n0.233180 0.559410 0.896946 H\n0.733180 0.440590 0.603054 H\n0.766820 0.440590 0.103054 H\n0.036421 0.638351 0.628559 O\n0.463579 0.638351 0.128559 O\n0.963579 0.361649 0.371441 O\n0.536421 0.361649 0.871441 O\n0.154669 0.272877 0.083134 O\n0.345331 0.272877 0.583134 O\n0.845331 0.727123 0.916866 O\n0.654669 0.727123 0.416866 O\n0.159230 0.100462 0.898714 O\n0.340770 0.100462 0.398714 O\n0.840770 0.899538 0.101286 O\n0.659230 0.899538 0.601286 O\n0.222133 0.712027 0.323782 O\n0.277867 0.712027 0.823782 O\n0.777867 0.287973 0.676218 O\n0.722133 0.287973 0.176218 O\n",
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"volume": 516.8167834915884,
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"formula_full": "Ba8 H16 O16",
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"spacegroup": 14
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{
"id": "mp-1209945",
"created_at": "2022-09-04T14:47:14.435367Z",
"structure_string": "Nd4 Re6 O19\n1.0\n-4.523799 4.523799 4.523799\n4.523799 -4.523799 4.523799\n4.523799 4.523799 -4.523799\nNd Re O\n4 6 19\ndirect\n0.688229 0.688229 0.688229 Nd\n0.311771 0.000000 0.000000 Nd\n0.000000 0.311771 0.000000 Nd\n0.000000 0.000000 0.311771 Nd\n0.366566 0.866566 0.500000 Re\n0.633434 0.133434 0.500000 Re\n0.866566 0.500000 0.366566 Re\n0.133434 0.500000 0.633434 Re\n0.500000 0.366566 0.866566 Re\n0.500000 0.633434 0.133434 Re\n0.680666 0.680666 0.000000 O\n0.319334 0.319334 0.000000 O\n0.680666 0.000000 0.680666 O\n0.319334 0.000000 0.319334 O\n0.000000 0.680666 0.680666 O\n0.000000 0.319334 0.319334 O\n0.000000 0.000000 0.000000 O\n0.358538 0.620762 0.302372 O\n0.641462 0.943834 0.262224 O\n0.681609 0.379238 0.737776 O\n0.620762 0.302372 0.358538 O\n0.318391 0.056166 0.697628 O\n0.943834 0.262224 0.641462 O\n0.379238 0.737776 0.681609 O\n0.056166 0.697628 0.318391 O\n0.302372 0.358538 0.620762 O\n0.737776 0.681609 0.379238 O\n0.697628 0.318391 0.056166 O\n0.262224 0.641462 0.943834 O\n",
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"formula_full": "Nd4 Re6 O19",
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{
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"structure_string": "Mg2 Ni2 F10\n1.0\n3.008299 4.233643 0.000000\n-3.008299 4.233643 0.000000\n0.000000 3.310417 6.674952\nMg Ni F\n2 2 10\ndirect\n0.537221 0.462779 0.750000 Mg\n0.462779 0.537221 0.250000 Mg\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.123430 0.876570 0.250000 F\n0.876570 0.123430 0.750000 F\n0.740255 0.786514 0.125338 F\n0.213486 0.259745 0.374662 F\n0.683750 0.291871 0.451540 F\n0.708129 0.316250 0.048460 F\n0.316250 0.708129 0.548460 F\n0.291871 0.683750 0.951540 F\n0.786514 0.740255 0.625338 F\n0.259745 0.213486 0.874662 F\n",
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{
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"structure_string": "Na6 Zn2 P2 C2 O14\n1.0\n6.602278 0.000000 0.000000\n0.000000 5.311859 0.000000\n0.000000 0.148597 8.993512\nNa Zn P C O\n6 2 2 2 14\ndirect\n0.511652 0.993124 0.002138 Na\n0.808664 0.554493 0.168619 Na\n0.509043 0.503911 0.488262 Na\n0.009043 0.496089 0.511738 Na\n0.308664 0.445507 0.831381 Na\n0.011652 0.006876 0.997862 Na\n0.259829 0.982970 0.299121 Zn\n0.759829 0.017030 0.700879 Zn\n0.760051 0.019813 0.345994 P\n0.260051 0.980187 0.654006 P\n0.259430 0.508396 0.151162 C\n0.759430 0.491604 0.848838 C\n0.256094 0.673119 0.042131 O\n0.257609 0.267205 0.119560 O\n0.947605 0.932012 0.253169 O\n0.571717 0.939925 0.252800 O\n0.260549 0.579234 0.287735 O\n0.767076 0.304974 0.370429 O\n0.756081 0.870624 0.497962 O\n0.256081 0.129376 0.502038 O\n0.267076 0.695026 0.629571 O\n0.760549 0.420766 0.712265 O\n0.071717 0.060075 0.747200 O\n0.447605 0.067988 0.746831 O\n0.757609 0.732795 0.880440 O\n0.756094 0.326881 0.957869 O\n",
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{
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"structure_string": "Pu8 Bi6\n1.0\n-4.771954 4.771954 4.771954\n4.771954 -4.771954 4.771954\n4.771954 4.771954 -4.771954\nPu Bi\n8 6\ndirect\n0.340542 0.340542 0.340542 Pu\n0.159458 0.500000 0.000000 Pu\n0.000000 0.159458 0.500000 Pu\n0.840542 0.840542 0.840542 Pu\n0.500000 0.000000 0.159458 Pu\n0.659458 0.500000 0.000000 Pu\n0.500000 0.000000 0.659458 Pu\n0.000000 0.659458 0.500000 Pu\n0.125000 0.875000 0.250000 Bi\n0.375000 0.625000 0.750000 Bi\n0.875000 0.250000 0.125000 Bi\n0.625000 0.750000 0.375000 Bi\n0.250000 0.125000 0.875000 Bi\n0.750000 0.375000 0.625000 Bi\n",
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{
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{
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{
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