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{
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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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{
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"total_magnetization": 3.04e-05,
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"updated_at": "2021-11-28T01:38:27.845000Z",
"spacegroup": 74
},
{
"id": "mp-540866",
"created_at": "2022-09-04T14:47:59.638281Z",
"structure_string": "Na12 Mg4 C8 S2 O32\n1.0\n0.000000 7.113369 7.113369\n7.113369 0.000000 7.113369\n7.113369 7.113369 0.000000\nNa Mg C S O\n12 4 8 2 32\ndirect\n0.972836 0.972836 0.527164 Na\n0.722836 0.277164 0.277164 Na\n0.277164 0.722836 0.722836 Na\n0.722836 0.722836 0.277164 Na\n0.722836 0.277164 0.722836 Na\n0.277164 0.722836 0.277164 Na\n0.527164 0.972836 0.527164 Na\n0.527164 0.972836 0.972836 Na\n0.972836 0.527164 0.527164 Na\n0.972836 0.527164 0.972836 Na\n0.277164 0.277164 0.722836 Na\n0.527164 0.527164 0.972836 Na\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n0.343771 0.968687 0.343771 C\n0.906229 0.906229 0.281313 C\n0.281313 0.906229 0.906229 C\n0.906229 0.906229 0.906229 C\n0.968687 0.343771 0.343771 C\n0.343771 0.343771 0.343771 C\n0.343771 0.343771 0.968687 C\n0.906229 0.281313 0.906229 C\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.689077 0.932770 0.689077 O\n0.560923 0.560923 0.317230 O\n0.317230 0.560923 0.560923 O\n0.560923 0.560923 0.560923 O\n0.932770 0.689077 0.689077 O\n0.689077 0.689077 0.689077 O\n0.689077 0.689077 0.932770 O\n0.560923 0.317230 0.560923 O\n0.270223 0.966470 0.493085 O\n0.979777 0.979777 0.283530 O\n0.283530 0.756915 0.979777 O\n0.979777 0.756915 0.979777 O\n0.756915 0.979777 0.283530 O\n0.756915 0.979777 0.979777 O\n0.283530 0.979777 0.979777 O\n0.493085 0.966470 0.270223 O\n0.270223 0.966470 0.270223 O\n0.966470 0.270223 0.493085 O\n0.270223 0.270223 0.493085 O\n0.966470 0.493085 0.270223 O\n0.493085 0.270223 0.966470 O\n0.270223 0.270223 0.966470 O\n0.270223 0.493085 0.270223 O\n0.283530 0.979777 0.756915 O\n0.979777 0.979777 0.756915 O\n0.979777 0.756915 0.283530 O\n0.979777 0.283530 0.756915 O\n0.756915 0.283530 0.979777 O\n0.979777 0.283530 0.979777 O\n0.493085 0.270223 0.270223 O\n0.966470 0.270223 0.270223 O\n0.270223 0.493085 0.966470 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "C-Mg-Na-O-S",
"density": 2.4111897698825144,
"density_atomic": 0.0805697440638719,
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"volume_molar": 7.4744444455798815,
"formula_full": "Na12 Mg4 C8 S2 O32",
"formula_reduced": "Na6Mg2C4SO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -392.15541622,
"energy_per_atom": -6.761300279655172,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -370.17141622,
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"total_magnetization": 0.0098599,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.101000Z",
"spacegroup": 227
},
{
"id": "mp-1187563",
"created_at": "2022-09-04T14:47:59.640996Z",
"structure_string": "Yb1 Dy1 Pt2\n1.0\n0.000000 3.460102 3.460102\n3.460102 0.000000 3.460102\n3.460102 3.460102 0.000000\nYb Dy Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Dy",
"Pt"
],
"chemical_system": "Dy-Pt-Yb",
"density": 14.545019503569657,
"density_atomic": 0.048279558631136366,
"volume": 82.85079883518917,
"volume_molar": 12.473479316598832,
"formula_full": "Yb1 Dy1 Pt2",
"formula_reduced": "YbDyPt2",
"formula_anonymous": "ABC2",
"energy": -23.01902717,
"energy_per_atom": -5.7547567925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -23.01902717,
"band_gap": 0.0,
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"total_magnetization": 0.0003727,
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"updated_at": "2021-11-28T01:38:30.657000Z",
"spacegroup": 225
}
]
}