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{
"id": "mp-1209630",
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"spacegroup": 33
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{
"id": "mp-975606",
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"structure_string": "In1 N3\n1.0\n3.520330 0.000000 0.000000\n0.000000 3.520330 0.000000\n0.000000 0.000000 3.520330\nIn N\n1 3\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
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{
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"structure_string": "Ba2 Sb1 Au1\n1.0\n0.000000 4.162596 4.162596\n4.162596 0.000000 4.162596\n4.162596 4.162596 0.000000\nBa Sb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
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{
"id": "mp-1213538",
"created_at": "2022-09-04T14:40:01.840179Z",
"structure_string": "Cu4 H12 C6 Br4 N12\n1.0\n-4.769382 0.000000 0.293642\n-0.641289 0.000000 -8.193531\n0.000000 -16.723155 0.000000\nCu H C Br N\n4 12 6 4 12\ndirect\n0.804458 0.555171 0.922194 Cu\n0.195542 0.444829 0.077806 Cu\n0.195542 0.444829 0.422194 Cu\n0.804458 0.555171 0.577806 Cu\n0.895875 0.370841 0.802847 H\n0.104125 0.629159 0.197153 H\n0.104125 0.629159 0.302847 H\n0.895875 0.370841 0.697153 H\n0.486959 0.814875 0.939161 H\n0.513041 0.185125 0.060839 H\n0.513041 0.185125 0.439161 H\n0.486959 0.814875 0.560839 H\n0.404501 0.988916 0.882011 H\n0.595499 0.011084 0.117989 H\n0.595499 0.011084 0.382011 H\n0.404501 0.988916 0.617989 H\n0.717545 0.570980 0.750000 C\n0.282455 0.429020 0.250000 C\n0.559857 0.799239 0.817875 C\n0.440143 0.200761 0.182125 C\n0.440143 0.200761 0.317875 C\n0.559857 0.799239 0.682125 C\n0.857533 0.669165 0.444513 Br\n0.142467 0.330835 0.555487 Br\n0.142467 0.330835 0.944513 Br\n0.857533 0.669165 0.055487 Br\n0.663404 0.642789 0.821946 N\n0.336596 0.357211 0.178054 N\n0.336596 0.357211 0.321946 N\n0.663404 0.642789 0.678054 N\n0.492742 0.876118 0.886350 N\n0.507258 0.123882 0.113650 N\n0.507258 0.123882 0.386350 N\n0.492742 0.876118 0.613650 N\n0.830015 0.420271 0.750000 N\n0.169985 0.579729 0.250000 N\n0.519642 0.882482 0.750000 N\n0.480358 0.117518 0.250000 N\n",
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{
"id": "mp-865829",
"created_at": "2022-09-04T14:40:01.889452Z",
"structure_string": "Lu2 Cu1 Ir1\n1.0\n0.000000 3.366814 3.366814\n3.366814 0.000000 3.366814\n3.366814 3.366814 0.000000\nLu Cu Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "mp-1204459",
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"structure_string": "Nb4 Te16 Cl16 O4\n1.0\n8.141734 0.000000 0.000000\n2.443880 12.250447 0.000000\n1.761004 1.656418 12.715129\nNb Te Cl O\n4 16 16 4\ndirect\n0.557444 0.759296 0.268248 Nb\n0.442556 0.240704 0.731752 Nb\n0.055718 0.757904 0.273547 Nb\n0.944282 0.242096 0.726453 Nb\n0.564718 0.578485 0.720136 Te\n0.435282 0.421515 0.279864 Te\n0.757365 0.873175 0.758691 Te\n0.242635 0.126825 0.241309 Te\n0.251236 0.658907 0.641561 Te\n0.748764 0.341093 0.358439 Te\n0.777146 0.732240 0.615803 Te\n0.222854 0.267760 0.384197 Te\n0.230954 0.843464 0.876608 Te\n0.769046 0.156536 0.123392 Te\n0.482385 0.650387 0.915490 Te\n0.517615 0.349613 0.084510 Te\n0.275415 0.868018 0.655828 Te\n0.724585 0.131982 0.344172 Te\n0.933264 0.753791 0.917389 Te\n0.066736 0.246209 0.082611 Te\n0.148716 0.641687 0.133282 Cl\n0.851284 0.358313 0.866718 Cl\n0.569521 0.898691 0.120942 Cl\n0.430479 0.101309 0.879058 Cl\n0.093000 0.595806 0.398786 Cl\n0.907000 0.404194 0.601214 Cl\n0.512842 0.894443 0.388451 Cl\n0.487158 0.105557 0.611549 Cl\n0.617677 0.612845 0.413496 Cl\n0.382323 0.387155 0.586504 Cl\n0.039922 0.870365 0.410211 Cl\n0.960078 0.129635 0.589789 Cl\n0.674324 0.620535 0.153276 Cl\n0.325676 0.379465 0.846724 Cl\n0.082270 0.916853 0.141354 Cl\n0.917730 0.083147 0.858646 Cl\n0.835886 0.767756 0.270773 O\n0.164114 0.232244 0.729227 O\n0.341123 0.749464 0.270227 O\n0.658877 0.250536 0.729773 O\n",
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{
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"structure_string": "Sr1 Mg14 Ga1\n1.0\n6.518173 0.043801 0.000000\n-3.221154 5.579202 0.000000\n0.000000 0.000000 10.559811\nSr Mg Ga\n1 14 1\ndirect\n0.158188 0.329094 0.125000 Sr\n0.168188 0.334093 0.625000 Mg\n0.162416 0.831208 0.625000 Mg\n0.654622 0.319560 0.125000 Mg\n0.667053 0.337615 0.625000 Mg\n0.654622 0.835060 0.125000 Mg\n0.667053 0.829436 0.625000 Mg\n0.335991 0.161109 0.385102 Mg\n0.335991 0.161109 0.864898 Mg\n0.335991 0.674883 0.385102 Mg\n0.335991 0.674883 0.864898 Mg\n0.826017 0.163009 0.388912 Mg\n0.826017 0.163009 0.861088 Mg\n0.839521 0.669761 0.365246 Mg\n0.839521 0.669761 0.884754 Mg\n0.192821 0.846410 0.125000 Ga\n",
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{
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{
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],
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"formula_full": "Ba2 Sr1 P2 O8",
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{
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"structure_string": "Na5 Ni6 O12\n1.0\n5.984431 0.000000 0.000000\n2.654850 6.318731 0.000000\n1.572182 2.289535 6.322880\nNa Ni O\n5 6 12\ndirect\n0.320252 0.176694 0.827053 Na\n0.500000 0.500000 0.500000 Na\n0.838310 0.185570 0.817238 Na\n0.161690 0.814430 0.182762 Na\n0.679748 0.823306 0.172947 Na\n0.580560 0.668621 0.833774 Ni\n0.080141 0.668154 0.833011 Ni\n0.248332 0.002874 0.501457 Ni\n0.419440 0.331379 0.166226 Ni\n0.751668 0.997126 0.498543 Ni\n0.919859 0.331846 0.166989 Ni\n0.209929 0.895668 0.804213 O\n0.404406 0.215477 0.468527 O\n0.104594 0.783964 0.531781 O\n0.709545 0.896787 0.801071 O\n0.549793 0.556888 0.138618 O\n0.290455 0.103213 0.198929 O\n0.895406 0.216036 0.468219 O\n0.595594 0.784523 0.531473 O\n0.450207 0.443112 0.861382 O\n0.054302 0.554121 0.133274 O\n0.790071 0.104332 0.195787 O\n0.945698 0.445879 0.866726 O\n",
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"formula_full": "Na5 Ni6 O12",
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}