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{
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{
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{
"id": "mp-753943",
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"structure_string": "Li2 Fe1 S2\n1.0\n1.943178 -3.365682 0.000000\n1.943178 3.365682 0.000000\n0.000000 0.000000 6.214299\nLi Fe S\n2 1 2\ndirect\n0.000000 0.000000 0.346777 Li\n0.666667 0.333333 0.031539 Li\n0.333333 0.666667 0.624949 Fe\n0.000000 0.000000 0.747892 S\n0.333333 0.666667 0.248843 S\n",
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{
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"structure_string": "Cs1 Ca1 N3 O6\n1.0\n3.973346 -3.955689 0.000000\n3.973346 3.955689 0.000000\n0.035236 0.000000 5.606578\nCs Ca N O\n1 1 3 6\ndirect\n0.999843 0.999843 0.999843 Cs\n0.467568 0.467568 0.467568 Ca\n0.930682 0.516988 0.489734 N\n0.516988 0.489734 0.930682 N\n0.489734 0.930682 0.516988 N\n0.678047 0.055241 0.519477 O\n0.519477 0.678047 0.055241 O\n0.508264 0.295801 0.049917 O\n0.295801 0.049917 0.508264 O\n0.055241 0.519477 0.678047 O\n0.049917 0.508264 0.295801 O\n",
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{
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"structure_string": "Li9 Mn12 B12 O36\n1.0\n9.089673 0.000000 0.000000\n4.512819 7.927224 0.000000\n0.242238 0.185324 10.381339\nLi Mn B O\n9 12 12 36\ndirect\n0.615064 0.609402 0.093900 Li\n0.712896 0.729409 0.319592 Li\n0.748065 0.690862 0.850659 Li\n0.941319 0.947794 0.603323 Li\n0.035637 0.078113 0.354549 Li\n0.057549 0.042612 0.821606 Li\n0.286874 0.279402 0.585542 Li\n0.365782 0.401933 0.324833 Li\n0.402947 0.380302 0.841225 Li\n0.256861 0.963228 0.119439 Mn\n0.394432 0.727160 0.865286 Mn\n0.609889 0.905929 0.615288 Mn\n0.691263 0.399258 0.375366 Mn\n0.980352 0.599957 0.116362 Mn\n0.927081 0.313165 0.621711 Mn\n0.050417 0.740769 0.366669 Mn\n0.077706 0.365093 0.879568 Mn\n0.299767 0.610522 0.612164 Mn\n0.387019 0.056912 0.361037 Mn\n0.604005 0.265733 0.119676 Mn\n0.713000 0.038636 0.867128 Mn\n0.267918 0.960119 0.620792 B\n0.383793 0.729936 0.368985 B\n0.614665 0.929954 0.111527 B\n0.726846 0.381624 0.869070 B\n0.918176 0.300301 0.138727 B\n0.965975 0.599416 0.632079 B\n0.049649 0.404316 0.375425 B\n0.066572 0.717071 0.869322 B\n0.278348 0.622969 0.122318 B\n0.390779 0.050238 0.874365 B\n0.618501 0.254984 0.632923 B\n0.716773 0.053690 0.381999 B\n0.275313 0.900146 0.341006 O\n0.280721 0.988082 0.906256 O\n0.361212 0.708202 0.077824 O\n0.362442 0.791936 0.660828 O\n0.555513 0.658579 0.364855 O\n0.561581 0.933919 0.842908 O\n0.647725 0.948614 0.409412 O\n0.649585 0.550105 0.892641 O\n0.712697 0.758378 0.125403 O\n0.712972 0.323330 0.577727 O\n0.746076 0.384843 0.170566 O\n0.799030 0.673603 0.663616 O\n0.886074 0.993611 0.404616 O\n0.892479 0.296479 0.814278 O\n0.966556 0.562915 0.310979 O\n0.988616 0.627066 0.923668 O\n0.946293 0.342736 0.429517 O\n0.972096 0.887589 0.848770 O\n0.018917 0.136582 0.171365 O\n0.042903 0.684744 0.576946 O\n0.984782 0.390346 0.071987 O\n0.064738 0.422795 0.659921 O\n0.103083 0.719844 0.154121 O\n0.093394 0.046239 0.629328 O\n0.220725 0.317882 0.387898 O\n0.235957 0.623006 0.833824 O\n0.312551 0.626771 0.402702 O\n0.334680 0.218218 0.871667 O\n0.357217 0.452481 0.138795 O\n0.355441 0.041973 0.577332 O\n0.451409 0.017107 0.159421 O\n0.446870 0.350797 0.642298 O\n0.611239 0.217408 0.334536 O\n0.647451 0.287846 0.901405 O\n0.683313 0.025453 0.052561 O\n0.703485 0.084474 0.675588 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:47:59.626391Z",
"structure_string": "K3 Ga9\n1.0\n-3.179423 3.179423 7.483472\n3.179423 -3.179423 7.483472\n3.179423 3.179423 -7.483472\nK Ga\n3 9\ndirect\n0.126662 0.626662 0.500000 K\n0.373338 0.873338 0.500000 K\n0.000000 0.000000 0.000000 K\n0.778169 0.572330 0.794162 Ga\n0.015993 0.221831 0.794162 Ga\n0.697774 0.392377 0.305397 Ga\n0.607623 0.913021 0.305397 Ga\n0.607623 0.302226 0.694603 Ga\n0.086979 0.392377 0.694603 Ga\n0.778169 0.984007 0.205838 Ga\n0.427670 0.221831 0.205838 Ga\n0.500000 0.500000 0.000000 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-K",
"density": 4.087239819342063,
"density_atomic": 0.03965714940382552,
"volume": 302.593609989588,
"volume_molar": 15.185510936948676,
"formula_full": "K3 Ga9",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:38:28.877000Z",
"spacegroup": 119
},
{
"id": "mp-13932",
"created_at": "2022-09-04T14:47:59.632620Z",
"structure_string": "Ba2 Dy1 Re1 O6\n1.0\n0.000000 4.237089 4.237089\n4.237089 0.000000 4.237089\n4.237089 4.237089 0.000000\nBa Dy Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Re\n0.764943 0.764943 0.235057 O\n0.235057 0.235057 0.764943 O\n0.235057 0.764943 0.235057 O\n0.764943 0.235057 0.764943 O\n0.764943 0.235057 0.235057 O\n0.235057 0.764943 0.764943 O\n",
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"elements": [
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"Re",
"O"
],
"chemical_system": "Ba-Dy-O-Re",
"density": 7.851652278204719,
"density_atomic": 0.06573054678281444,
"volume": 152.1362667656151,
"volume_molar": 9.161860131634441,
"formula_full": "Ba2 Dy1 Re1 O6",
"formula_reduced": "Ba2DyReO6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:29.580000Z",
"spacegroup": 225
}
]
}