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{
"id": "mp-863030",
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"structure_string": "B2 P8 S6 Br6\n1.0\n11.133402 0.000000 0.000000\n0.000000 6.732695 0.000000\n0.000000 3.010336 8.528536\nB P S Br\n2 8 6 6\ndirect\n0.750000 0.678258 0.721136 B\n0.250000 0.321742 0.278864 B\n0.352350 0.057307 0.860454 P\n0.852350 0.942693 0.139546 P\n0.647650 0.942693 0.139546 P\n0.147650 0.057307 0.860454 P\n0.750000 0.746879 0.486346 P\n0.250000 0.253121 0.513654 P\n0.750000 0.638462 0.170950 P\n0.250000 0.361538 0.829050 P\n0.750000 0.482169 0.414852 S\n0.250000 0.517831 0.585148 S\n0.398003 0.078097 0.629846 S\n0.898003 0.921903 0.370154 S\n0.601997 0.921903 0.370154 S\n0.101997 0.078097 0.629846 S\n0.750000 0.958150 0.759316 Br\n0.250000 0.041850 0.240684 Br\n0.400640 0.486178 0.202161 Br\n0.900640 0.513822 0.797839 Br\n0.599360 0.513822 0.797839 Br\n0.099360 0.486178 0.202161 Br\n",
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{
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{
"id": "mp-752664",
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"structure_string": "Li2 Co2 P2 O8\n1.0\n5.135323 0.000958 -0.001702\n-2.570419 1.481483 7.909760\n2.568231 -4.446103 -0.000741\nLi Co P O\n2 2 2 8\ndirect\n0.162283 0.487448 0.162433 Li\n0.413432 0.239796 0.413324 Li\n0.018667 0.056143 0.018746 Co\n0.556741 0.670308 0.556804 Co\n0.874101 0.622473 0.874097 P\n0.701368 0.103913 0.701373 P\n0.145764 0.555732 0.572021 O\n0.003431 0.170860 0.737869 O\n0.429682 0.170619 0.003425 O\n0.637448 0.911532 0.637167 O\n0.837720 0.555753 0.145805 O\n0.571993 0.555550 0.837663 O\n0.737682 0.170621 0.429684 O\n0.938216 0.814840 0.938117 O\n",
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{
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"structure_string": "Co4 P4 O16\n1.0\n5.737084 0.000000 0.000000\n1.158417 6.325419 0.000000\n1.763449 2.310940 8.790196\nCo P O\n4 4 16\ndirect\n0.328197 0.898685 0.805262 Co\n0.789931 0.174133 0.562041 Co\n0.210069 0.825867 0.437959 Co\n0.671803 0.101315 0.194738 Co\n0.816416 0.875816 0.894411 P\n0.668350 0.722931 0.513358 P\n0.331650 0.277069 0.486642 P\n0.183584 0.124184 0.105589 P\n0.629453 0.755828 0.862190 O\n0.070705 0.738230 0.879969 O\n0.249621 0.074548 0.951487 O\n0.842961 0.090812 0.762023 O\n0.858443 0.851230 0.539901 O\n0.417245 0.768063 0.610567 O\n0.761270 0.483759 0.543647 O\n0.393509 0.177013 0.651767 O\n0.606491 0.822987 0.348233 O\n0.238730 0.516241 0.456353 O\n0.582755 0.231937 0.389433 O\n0.141557 0.148770 0.460099 O\n0.157039 0.909188 0.237977 O\n0.750379 0.925452 0.048513 O\n0.929295 0.261770 0.120031 O\n0.370547 0.244172 0.137810 O\n",
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{
"id": "mp-1034314",
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"structure_string": "Na1 Mg14 Ga1 O16\n1.0\n8.542859 0.000000 -0.000000\n0.000000 8.542859 0.000000\n0.000000 0.000000 4.289638\nNa Mg Ga O\n1 14 1 16\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.000000 0.244920 0.500000 Mg\n0.000000 0.755080 0.500000 Mg\n0.500000 0.246144 0.500000 Mg\n0.500000 0.753856 0.500000 Mg\n0.244920 -0.000000 0.500000 Mg\n0.246144 0.500000 0.500000 Mg\n0.755080 -0.000000 0.500000 Mg\n0.753856 0.500000 0.500000 Mg\n0.244598 0.244598 -0.000000 Mg\n0.244598 0.755402 -0.000000 Mg\n0.755402 0.244598 0.000000 Mg\n0.755402 0.755402 -0.000000 Mg\n0.500000 0.500000 -0.000000 Ga\n0.266553 -0.000000 -0.000000 O\n0.263658 0.500000 0.000000 O\n0.733447 -0.000000 -0.000000 O\n0.736342 0.500000 -0.000000 O\n0.251462 0.251462 0.500000 O\n0.251462 0.748538 0.500000 O\n0.748538 0.251462 0.500000 O\n0.748538 0.748538 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.266553 -0.000000 O\n0.000000 0.733447 -0.000000 O\n0.500000 0.263658 0.000000 O\n0.500000 0.736342 0.000000 O\n",
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"formula_full": "Na1 Mg14 Ga1 O16",
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{
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{
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"structure_string": "Li4 Co2 Cu2 O8\n1.0\n-2.861240 2.907804 4.103961\n2.861240 -2.907804 4.103961\n2.861240 2.907804 -4.103961\nLi Co Cu O\n4 2 2 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.269358 0.246075 0.023282 O\n0.264371 0.255494 0.491124 O\n0.722793 0.246075 0.476718 O\n0.264371 0.773247 0.008876 O\n0.735629 0.226753 0.991124 O\n0.277207 0.753925 0.523282 O\n0.735629 0.744506 0.508876 O\n0.730642 0.753925 0.976718 O\n",
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{
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"structure_string": "Sr2 La2 Eu2 Nb2 O12\n1.0\n5.903515 0.006295 -0.030428\n-0.002254 6.080752 0.016135\n-0.057229 0.009621 8.476994\nSr La Eu Nb O\n2 2 2 2 12\ndirect\n0.987164 0.050062 0.250134 Sr\n0.012836 0.949938 0.749866 Sr\n0.000000 0.500000 -0.000000 La\n0.500000 -0.000000 0.500000 La\n0.516296 0.552747 0.248587 Eu\n0.483704 0.447253 0.751413 Eu\n0.500000 -0.000000 -0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.221535 0.182865 0.946040 O\n0.277943 0.681235 0.558641 O\n0.778465 0.817135 0.053960 O\n0.722057 0.318765 0.441359 O\n0.327859 0.718628 0.938874 O\n0.175521 0.221556 0.560108 O\n0.672141 0.281372 0.061126 O\n0.824479 0.778444 0.439892 O\n0.396687 0.954528 0.226982 O\n0.112913 0.462312 0.273769 O\n0.603313 0.045472 0.773019 O\n0.887087 0.537688 0.726231 O\n",
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{
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"structure_string": "Mg14 Fe1 Co1\n1.0\n3.122714 -5.396740 0.000000\n3.122714 5.396740 0.000000\n0.000000 0.000000 9.683902\nMg Fe Co\n14 1 1\ndirect\n0.664056 0.335944 0.500000 Mg\n0.164072 0.835928 0.500000 Mg\n0.662253 0.840332 0.000000 Mg\n0.668167 0.831989 0.500000 Mg\n0.159668 0.337747 0.000000 Mg\n0.168011 0.331833 0.500000 Mg\n0.840144 0.657733 0.220910 Mg\n0.840144 0.657733 0.779090 Mg\n0.342267 0.159856 0.220910 Mg\n0.342267 0.159856 0.779090 Mg\n0.825999 0.174001 0.239552 Mg\n0.825999 0.174001 0.760448 Mg\n0.326545 0.673455 0.239357 Mg\n0.326545 0.673455 0.760643 Mg\n0.671846 0.328154 0.000000 Fe\n0.172027 0.827973 0.000000 Co\n",
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{
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