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{
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{
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},
{
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"created_at": "2022-09-04T14:47:02.823237Z",
"structure_string": "Pr2 Bi1 O2\n1.0\n-2.029645 2.029645 7.084608\n2.029645 -2.029645 7.084608\n2.029645 2.029645 -7.084608\nPr Bi O\n2 1 2\ndirect\n0.334567 0.334567 0.000000 Pr\n0.665433 0.665433 0.000000 Pr\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
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{
"id": "mp-1222329",
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"structure_string": "Lu2 Al2 Cu2\n1.0\n-2.663032 2.681868 3.703636\n2.663032 -2.681868 3.703636\n2.663032 2.681868 -3.703636\nLu Al Cu\n2 2 2\ndirect\n0.124811 0.874811 0.250000 Lu\n0.875189 0.125189 0.750000 Lu\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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"spacegroup": 74
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{
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"structure_string": "Si2 Ru1\n1.0\n0.000000 2.841294 2.841294\n2.841294 0.000000 2.841294\n2.841294 2.841294 0.000000\nSi Ru\n2 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Ru\n",
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{
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"created_at": "2022-09-04T14:47:03.176881Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.636717 0.000000 0.000000\n-0.182221 5.648843 0.000000\n-0.185935 -0.012522 10.308932\nMn O F\n8 8 8\ndirect\n0.024699 0.151011 0.374552 Mn\n0.954170 0.860501 0.627334 Mn\n0.977551 0.176375 0.875923 Mn\n0.026361 0.843108 0.134785 Mn\n0.529344 0.343340 0.116693 Mn\n0.460103 0.357082 0.621328 Mn\n0.479444 0.619816 0.874787 Mn\n0.514879 0.651143 0.372610 Mn\n0.801760 0.117313 0.043441 O\n0.814233 0.884087 0.293451 O\n0.681248 0.389848 0.782163 O\n0.705906 0.622535 0.543052 O\n0.282260 0.371193 0.962386 O\n0.266988 0.391485 0.453427 O\n0.318520 0.613797 0.204355 O\n0.174446 0.123224 0.710161 O\n0.745475 0.110059 0.533638 F\n0.721470 0.883843 0.801462 F\n0.773745 0.377422 0.280488 F\n0.773183 0.610422 0.030859 F\n0.204761 0.631277 0.711588 F\n0.242203 0.860708 0.964483 F\n0.287364 0.109220 0.219148 F\n0.239882 0.901191 0.467886 F\n",
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"formula_full": "Mn8 O8 F8",
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"spacegroup": 1
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{
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"structure_string": "Mo2 H1 O6\n1.0\n1.911691 7.595655 0.000000\n-1.911691 7.595655 0.000000\n0.000000 0.001159 3.904881\nMo H O\n2 1 6\ndirect\n0.910366 0.910366 0.246980 Mo\n0.092798 0.092798 0.747729 Mo\n0.246451 0.246451 0.961984 H\n0.073791 0.073791 0.247199 O\n0.941188 0.941188 0.747088 O\n0.425290 0.425290 0.247752 O\n0.579119 0.579119 0.746766 O\n0.798329 0.798329 0.234299 O\n0.218665 0.218665 0.734900 O\n",
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{
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"structure_string": "Ba4 Er2 In2 Te10\n1.0\n2.285817 -10.228732 0.000000\n2.285817 10.228732 0.000000\n0.000000 0.000000 14.360813\nBa Er In Te\n4 2 2 10\ndirect\n0.130871 0.869129 0.815283 Ba\n0.869129 0.130871 0.315283 Ba\n0.119384 0.880616 0.182058 Ba\n0.880616 0.119384 0.682058 Ba\n0.209705 0.790295 0.518563 Er\n0.790295 0.209705 0.018563 Er\n0.443572 0.556428 0.934122 In\n0.556428 0.443572 0.434122 In\n0.354891 0.645109 0.501182 Te\n0.645109 0.354891 0.001182 Te\n0.291986 0.708014 0.159304 Te\n0.708014 0.291986 0.659304 Te\n0.309761 0.690239 0.867594 Te\n0.690239 0.309761 0.367594 Te\n0.504100 0.495900 0.762366 Te\n0.495900 0.504100 0.262366 Te\n0.050826 0.949174 0.551427 Te\n0.949174 0.050826 0.051427 Te\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.019433 0.000000 0.000000\n0.559882 9.899017 0.000000\n0.524508 2.073592 9.733749\nLi Mn Co O\n9 2 5 16\ndirect\n0.999083 0.251251 0.874457 Li\n0.496634 0.747283 0.875938 Li\n0.503366 0.252717 0.124062 Li\n0.000917 0.748749 0.125543 Li\n0.008387 0.253464 0.372250 Li\n0.500826 0.739650 0.379397 Li\n0.499174 0.260350 0.620603 Li\n0.991613 0.746536 0.627750 Li\n0.000000 0.500000 0.500000 Li\n0.000355 0.001435 0.749578 Mn\n0.999645 0.998565 0.250422 Mn\n0.500573 0.498184 0.741653 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.499427 0.501816 0.258347 Co\n0.500000 0.000000 0.500000 Co\n0.526940 0.115102 0.819330 O\n0.030157 0.614743 0.820943 O\n0.034957 0.115385 0.065247 O\n0.488424 0.609203 0.073641 O\n0.530442 0.114398 0.318839 O\n0.015341 0.615130 0.307568 O\n0.039975 0.117286 0.564411 O\n0.501710 0.614259 0.583797 O\n0.511576 0.390797 0.926359 O\n0.965043 0.884615 0.934753 O\n0.969843 0.385257 0.179057 O\n0.473060 0.884898 0.180670 O\n0.498290 0.385741 0.416203 O\n0.960025 0.882714 0.435589 O\n0.984659 0.384870 0.692432 O\n0.469558 0.885602 0.681161 O\n",
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{
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"updated_at": "2021-11-28T01:37:55.981000Z",
"spacegroup": 221
}
]
}