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{
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{
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{
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{
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"structure_string": "Sr12 Bi4 O22\n1.0\n8.744515 0.000000 0.000000\n0.000000 8.744515 0.000000\n0.000000 0.000000 9.129968\nSr Bi O\n12 4 22\ndirect\n0.277401 0.777401 0.792479 Sr\n0.277401 0.222599 0.792479 Sr\n0.222599 0.277401 0.207521 Sr\n0.222599 0.722599 0.207521 Sr\n0.500000 0.500000 0.500000 Sr\n0.722599 0.222599 0.792479 Sr\n0.500000 0.000000 0.069019 Sr\n0.722599 0.777401 0.792479 Sr\n0.777401 0.722599 0.207521 Sr\n0.777401 0.277401 0.207521 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.930981 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.540564 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.459436 Bi\n0.253564 0.500000 0.016139 O\n0.500000 0.746436 0.983861 O\n0.270223 0.000000 0.614112 O\n0.229777 0.500000 0.385888 O\n0.500000 0.229777 0.614112 O\n0.000000 0.753564 0.016139 O\n0.753564 0.000000 0.983861 O\n0.500000 0.500000 0.228981 O\n0.500000 0.500000 0.771019 O\n0.246436 0.000000 0.983861 O\n0.000000 0.246436 0.016139 O\n0.500000 0.770223 0.614112 O\n0.770223 0.500000 0.385888 O\n0.500000 0.000000 0.317301 O\n0.000000 0.500000 0.682699 O\n0.729777 0.000000 0.614112 O\n0.000000 0.729777 0.385888 O\n0.500000 0.253564 0.983861 O\n0.000000 0.000000 0.228981 O\n0.000000 0.000000 0.771019 O\n0.746436 0.500000 0.016139 O\n0.000000 0.270223 0.385888 O\n",
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{
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"structure_string": "Ba6 Tm2 Ir2 Ru2 O18\n1.0\n2.963218 -5.132444 0.000000\n2.963218 5.132444 0.000000\n0.000000 0.000000 14.610421\nBa Tm Ir Ru O\n6 2 2 2 18\ndirect\n0.666667 0.333333 0.406168 Ba\n0.333333 0.666667 0.593987 Ba\n0.333333 0.666667 0.906168 Ba\n0.666667 0.333333 0.093987 Ba\n0.000000 0.000000 0.749898 Ba\n0.000000 0.000000 0.249898 Ba\n0.000000 0.000000 0.500844 Tm\n0.000000 0.000000 0.000844 Tm\n0.666667 0.333333 0.663458 Ir\n0.333333 0.666667 0.163458 Ir\n0.333333 0.666667 0.337757 Ru\n0.666667 0.333333 0.837757 Ru\n0.509769 0.019538 0.750358 O\n0.509769 0.490231 0.750358 O\n0.980462 0.490231 0.750358 O\n0.490231 0.980462 0.250358 O\n0.490231 0.509769 0.250358 O\n0.019538 0.509769 0.250358 O\n0.824701 0.649402 0.913135 O\n0.824701 0.175299 0.913135 O\n0.350598 0.175299 0.913135 O\n0.174444 0.348887 0.085802 O\n0.174444 0.825556 0.085802 O\n0.651113 0.825556 0.085802 O\n0.175299 0.350598 0.413135 O\n0.175299 0.824701 0.413135 O\n0.649402 0.824701 0.413135 O\n0.825556 0.651113 0.585802 O\n0.825556 0.174444 0.585802 O\n0.348887 0.174444 0.585802 O\n",
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{
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"structure_string": "Ba6 Mn6 N10\n1.0\n5.934069 -0.015770 -0.046626\n-0.694165 7.442275 0.008216\n-2.122557 -3.031805 8.200763\nBa Mn N\n6 6 10\ndirect\n0.808467 0.421249 0.610285 Ba\n0.191533 0.578751 0.389715 Ba\n0.652954 0.863667 0.878267 Ba\n0.347046 0.136333 0.121733 Ba\n0.655145 0.680680 0.215350 Ba\n0.344855 0.319320 0.784650 Ba\n0.914936 0.323761 0.973274 Mn\n0.085064 0.676239 0.026726 Mn\n0.679440 0.971386 0.578584 Mn\n0.320560 0.028614 0.421416 Mn\n0.073504 0.890469 0.710526 Mn\n0.926496 0.109531 0.289474 Mn\n0.910731 0.124423 0.780280 N\n0.089269 0.875577 0.219720 N\n0.786196 0.745951 0.540911 N\n0.213804 0.254049 0.459089 N\n0.780824 0.527156 0.930636 N\n0.219176 0.472844 0.069364 N\n0.367031 0.952551 0.605060 N\n0.632969 0.047449 0.394940 N\n0.146733 0.775728 0.876725 N\n0.853267 0.224272 0.123275 N\n",
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{
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{
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{
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"structure_string": "Mg4 Ti2 Sb2 O12\n1.0\n7.771763 0.000000 0.000000\n0.000000 5.254346 0.000000\n0.000000 0.133992 5.417329\nMg Ti Sb O\n4 2 2 12\ndirect\n0.750000 0.487156 0.562508 Mg\n0.250000 0.512844 0.437492 Mg\n0.750000 0.994938 0.037598 Mg\n0.250000 0.005062 0.962402 Mg\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.429485 0.661893 0.685144 O\n0.071608 0.812695 0.174519 O\n0.929485 0.338107 0.314856 O\n0.571608 0.187305 0.825481 O\n0.428392 0.812695 0.174519 O\n0.928392 0.187305 0.825481 O\n0.250000 0.132242 0.576388 O\n0.070515 0.661893 0.685144 O\n0.750000 0.629088 0.926778 O\n0.570515 0.338107 0.314856 O\n0.750000 0.867758 0.423612 O\n0.250000 0.370912 0.073222 O\n",
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"structure_string": "Li4 Fe2 Co3 Cu3 O16\n1.0\n2.877480 5.046448 0.000000\n-2.877480 5.046448 0.000000\n0.000000 0.300845 9.399038\nLi Fe Co Cu O\n4 2 3 3 16\ndirect\n0.667000 0.667000 0.892497 Li\n0.998725 0.998725 0.997501 Li\n0.000586 0.000586 0.494902 Li\n0.336451 0.336451 0.393867 Li\n0.665997 0.665997 0.492196 Fe\n0.330083 0.330083 0.992678 Fe\n0.830176 0.830176 0.212930 Co\n0.662134 0.168804 0.713290 Co\n0.168804 0.662134 0.713290 Co\n0.830324 0.338467 0.214376 Cu\n0.338467 0.830324 0.214376 Cu\n0.168570 0.168570 0.714448 Cu\n0.827641 0.322515 0.601669 O\n0.520579 0.520579 0.341879 O\n0.672886 0.672886 0.109404 O\n0.992805 0.992805 0.305701 O\n0.993917 0.993917 0.808676 O\n0.322515 0.827641 0.601669 O\n0.966440 0.530118 0.338743 O\n0.530118 0.966440 0.338743 O\n0.159857 0.159857 0.096283 O\n0.841043 0.841043 0.609467 O\n0.494232 0.038664 0.835534 O\n0.038664 0.494232 0.835534 O\n0.338902 0.338902 0.609296 O\n0.669258 0.151006 0.101324 O\n0.481219 0.481219 0.826391 O\n0.151006 0.669258 0.101324 O\n",
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"formula_full": "Li4 Fe2 Co3 Cu3 O16",
"formula_reduced": "Li4Fe2Co3Cu3O16",
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"updated_at": "2021-11-28T01:38:11.264000Z",
"spacegroup": 8
},
{
"id": "mp-1522329",
"created_at": "2022-09-04T14:47:26.155939Z",
"structure_string": "Ba1 Sr1 Ce1 Ti1 O6\n1.0\n0.000000 -4.214559 -4.214559\n4.214559 0.000000 -4.214559\n4.214559 -4.214559 0.000000\nBa Sr Ce Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735524 0.264476 0.264476 O\n0.264476 0.735524 0.735524 O\n0.735524 0.264476 0.735524 O\n0.264476 0.735524 0.264476 O\n0.735524 0.735524 0.264476 O\n0.264476 0.264476 0.735524 O\n",
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],
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"density_atomic": 0.06679033019334071,
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"formula_full": "Ba1 Sr1 Ce1 Ti1 O6",
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"spacegroup": 216
},
{
"id": "mp-1182530",
"created_at": "2022-09-04T14:47:26.007676Z",
"structure_string": "Fe16 H20 O34\n1.0\n6.168175 0.000000 0.000000\n0.162576 10.552141 0.000000\n0.028856 0.022263 10.735559\nFe H O\n16 20 34\ndirect\n0.003453 0.895206 0.656896 Fe\n0.004502 0.388483 0.853352 Fe\n0.258167 0.413982 0.143036 Fe\n0.289401 0.909116 0.307208 Fe\n0.007898 0.225557 0.321896 Fe\n0.002039 0.713483 0.118129 Fe\n0.252007 0.691547 0.833915 Fe\n0.253817 0.192718 0.651238 Fe\n0.488281 0.898200 0.663984 Fe\n0.503769 0.393205 0.847309 Fe\n0.752332 0.412465 0.137451 Fe\n0.747651 0.023983 0.171737 Fe\n0.518136 0.216412 0.329233 Fe\n0.502467 0.715433 0.130106 Fe\n0.747933 0.682701 0.836220 Fe\n0.754225 0.197532 0.631964 Fe\n0.984242 0.628097 0.631943 H\n0.999741 0.402727 0.602856 H\n0.261116 0.334857 0.462598 H\n0.954720 0.491765 0.326912 H\n0.016382 0.692113 0.381572 H\n0.853678 0.792519 0.315769 H\n0.943953 0.008113 0.396087 H\n0.277273 0.789246 0.499085 H\n0.287627 0.179889 0.900285 H\n0.516250 0.630281 0.632843 H\n0.517952 0.400166 0.589734 H\n0.515224 0.501636 0.321467 H\n0.741470 0.928063 0.864540 H\n0.697905 0.942286 0.476643 H\n0.720449 0.186390 0.901188 H\n0.398083 0.131133 0.094985 H\n0.410300 0.987666 0.047529 H\n0.003995 0.039831 0.943612 H\n0.104542 0.959310 0.058917 H\n0.570281 0.768232 0.396315 H\n0.994520 0.698815 0.688742 O\n0.997132 0.713401 0.939736 O\n0.004394 0.331340 0.659548 O\n0.005731 0.079844 0.643698 O\n0.268515 0.227991 0.208577 O\n0.258529 0.242198 0.459446 O\n0.253486 0.861394 0.134185 O\n0.251064 0.601182 0.150300 O\n0.009132 0.415024 0.287574 O\n0.006838 0.387442 0.032492 O\n0.006790 0.763375 0.324690 O\n0.014812 0.026928 0.316483 O\n0.242049 0.882059 0.776092 O\n0.249373 0.878839 0.519760 O\n0.259476 0.244060 0.836523 O\n0.249612 0.502395 0.818068 O\n0.503488 0.698330 0.692940 O\n0.500794 0.711045 0.944917 O\n0.504526 0.335119 0.652935 O\n0.504426 0.081836 0.646682 O\n0.762073 0.215029 0.200684 O\n0.764988 0.226417 0.450615 O\n0.749584 0.846632 0.147798 O\n0.755951 0.598065 0.158300 O\n0.510435 0.416789 0.285883 O\n0.506172 0.386627 0.028722 O\n0.528778 0.025567 0.313361 O\n0.746656 0.883621 0.785423 O\n0.737164 0.872305 0.533538 O\n0.751545 0.245856 0.834228 O\n0.755062 0.500124 0.815237 O\n0.490664 0.068967 0.043651 O\n0.005046 0.034525 0.034355 O\n0.452770 0.745290 0.339784 O\n",
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"formula_full": "Fe16 H20 O34",
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}
]
}