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{
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"structure_string": "Yb1 Mn4 Cu3 O12\n1.0\n5.871347 -0.000000 -2.075835\n-2.935673 5.084735 -2.075835\n-0.000000 -0.000000 6.227504\nYb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.500001 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000001 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Cu\n0.500001 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.178582 0.878069 0.699487 O\n0.300515 0.821419 0.121934 O\n0.699488 0.821419 0.520907 O\n0.121933 0.300514 0.821419 O\n0.479095 0.300514 0.178582 O\n0.300514 0.178581 0.479095 O\n0.821420 0.520906 0.699488 O\n0.699487 0.178581 0.878068 O\n0.878069 0.699487 0.178583 O\n0.178582 0.479095 0.300514 O\n0.821419 0.121932 0.300514 O\n0.520906 0.699487 0.821420 O\n",
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{
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"updated_at": "2022-09-04T14:38:51.669052Z",
"structure_string": "K1 Mg3 Al1 Ge3 O10 F2\n1.0\n5.410526 0.001206 0.451747\n-2.646383 4.651022 -0.922651\n0.023852 -0.034715 10.423975\nK Mg Al Ge O F\n1 3 1 3 10 2\ndirect\n0.999638 0.505271 0.017683 K\n0.339655 0.667900 0.491145 Mg\n0.666356 0.325124 0.491612 Mg\n0.996729 0.002881 0.491830 Mg\n0.666558 0.907181 0.223744 Al\n0.333750 0.239142 0.219146 Ge\n0.331346 0.090032 0.774473 Ge\n0.665376 0.756032 0.774619 Ge\n0.998483 0.034328 0.842911 O\n0.998803 0.960720 0.162457 O\n0.667191 0.699726 0.604235 O\n0.331431 0.035988 0.604120 O\n0.335333 0.299117 0.395329 O\n0.408411 0.554379 0.162069 O\n0.586881 0.445741 0.842892 O\n0.409938 0.857069 0.841839 O\n0.592501 0.144423 0.161716 O\n0.666076 0.965318 0.396545 O\n0.000209 0.638576 0.407204 F\n0.005352 0.371068 0.594431 F\n",
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{
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"updated_at": "2022-09-04T14:38:46.325853Z",
"structure_string": "Y1 Ga3 B4 O12\n1.0\n5.854249 -0.003680 -1.472780\n-1.888335 5.541339 -1.472780\n-0.002636 -0.003680 6.036664\nY Ga B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Y\n0.050126 0.949874 0.500000 Ga\n0.949875 0.500000 0.050126 Ga\n0.499999 0.050126 0.949873 Ga\n0.447357 0.552644 0.000000 B\n0.552643 0.000000 0.447356 B\n-0.000000 0.447356 0.552643 B\n0.000000 0.000000 0.000000 B\n0.592368 0.407633 0.000000 O\n0.000001 0.854706 0.145294 O\n0.145294 0.000000 0.854705 O\n0.854706 0.145294 0.000000 O\n0.867376 0.471411 0.708345 O\n0.528589 0.132624 0.291654 O\n0.132624 0.291654 0.528589 O\n0.708346 0.867376 0.471411 O\n0.407632 0.000000 0.592367 O\n0.291655 0.528589 0.132624 O\n0.471411 0.708346 0.867375 O\n0.000000 0.592368 0.407632 O\n",
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{
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"created_at": "2022-09-04T14:38:46.219355Z",
"updated_at": "2022-09-04T14:38:46.219373Z",
"structure_string": "La2 N2 Cl8 O8\n1.0\n4.067722 -0.000000 0.000000\n0.000000 8.350717 0.000000\n-0.000000 -0.000000 12.542760\nLa N Cl O\n2 2 8 8\ndirect\n0.511064 0.000000 0.500000 La\n0.488936 0.500000 -0.000000 La\n-0.048238 0.000000 0.000000 N\n0.048238 0.500000 0.500000 N\n0.794634 0.614537 0.209760 Cl\n0.794634 0.385463 0.790240 Cl\n0.205365 0.114537 0.290240 Cl\n0.205365 0.885463 0.709760 Cl\n0.456639 0.307146 0.596694 Cl\n0.543361 0.807146 0.903306 Cl\n0.543361 0.192854 0.096694 Cl\n0.456639 0.692854 0.403306 Cl\n0.037112 0.079362 0.927848 O\n-0.005920 0.568288 0.094028 O\n-0.005920 0.431713 0.905972 O\n0.005920 0.931713 0.594028 O\n0.005920 0.068287 0.405972 O\n0.962888 0.420638 0.427848 O\n0.962888 0.579363 0.572152 O\n0.037112 0.920638 0.072152 O\n",
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{
"id": "jvasp-116792",
"created_at": "2022-09-04T14:38:44.801794Z",
"updated_at": "2022-09-04T14:38:44.801811Z",
"structure_string": "K8 Co4 O8\n1.0\n6.462618 0.074026 -0.000020\n-3.117953 6.061410 -0.000002\n-0.000038 -0.000009 9.527650\nK Co O\n8 4 8\ndirect\n0.743677 0.357575 0.235801 K\n0.256322 0.142419 0.735800 K\n0.743671 0.857576 0.264203 K\n0.256331 0.642428 0.764201 K\n0.213324 0.394932 0.412114 K\n0.786677 0.105070 0.912113 K\n0.786683 0.605123 0.587882 K\n0.213320 0.894879 0.087884 K\n0.695881 0.591355 0.932578 Co\n0.304118 0.908647 0.432577 Co\n0.695890 0.091409 0.567422 Co\n0.304112 0.408592 0.067422 Co\n0.492223 0.199207 0.482220 O\n0.492220 0.699156 0.017782 O\n0.507779 0.300794 0.982219 O\n0.507783 0.800847 0.517783 O\n0.952603 0.776982 0.850415 O\n0.047391 0.723014 0.350414 O\n0.047380 0.222991 0.149585 O\n0.952624 0.277013 0.649586 O\n",
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{
"id": "jvasp-113006",
"created_at": "2022-09-04T14:38:44.750798Z",
"updated_at": "2022-09-04T14:38:44.750831Z",
"structure_string": "Sm4 Zn2 Pt2 O12\n1.0\n5.842721 0.000000 0.000000\n-0.000000 4.457508 3.090971\n0.000000 0.008080 9.443554\nSm Zn Pt O\n4 2 2 12\ndirect\n0.424622 0.228667 0.749385 Sm\n0.575378 0.771333 0.250615 Sm\n0.924622 0.771333 0.750614 Sm\n0.075378 0.228667 0.249385 Sm\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.500000 -0.000000 0.500000 Pt\n0.808575 0.254399 0.054817 O\n0.191424 0.745601 0.945183 O\n0.800510 0.875755 0.442688 O\n0.199490 0.124245 0.557311 O\n0.300510 0.124245 0.057311 O\n0.960049 0.636629 0.248577 O\n0.460049 0.363371 0.251422 O\n0.539951 0.636629 0.748577 O\n0.691424 0.254399 0.554816 O\n0.039951 0.363371 0.751422 O\n0.699490 0.875755 0.942688 O\n0.308575 0.745601 0.445183 O\n",
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"id": "jvasp-116851",
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"updated_at": "2022-09-04T14:38:51.929107Z",
"structure_string": "Sr6 W2 O12\n1.0\n6.868896 -0.014724 -0.207297\n-0.213204 6.865603 -0.207297\n-0.014304 -0.014724 6.872009\nSr W O\n6 2 12\ndirect\n0.064705 0.253756 0.563629 Sr\n0.436372 0.935295 0.746244 Sr\n0.746245 0.436372 0.935295 Sr\n0.253756 0.563629 0.064705 Sr\n0.563629 0.064705 0.253756 Sr\n0.935296 0.746245 0.436371 Sr\n0.500001 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.546657 0.426270 0.228943 O\n0.270698 0.941724 0.068376 O\n0.771058 0.453344 0.573730 O\n0.573732 0.771057 0.453343 O\n0.426270 0.228944 0.546656 O\n0.058277 0.931623 0.729302 O\n0.729303 0.058277 0.931623 O\n0.453345 0.573731 0.771056 O\n0.941724 0.068378 0.270697 O\n0.068378 0.270698 0.941724 O\n0.228944 0.546657 0.426269 O\n0.931624 0.729303 0.058276 O\n",
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{
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"created_at": "2022-09-04T14:38:44.737743Z",
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"structure_string": "Li2 Mn6 O2 F10\n1.0\n6.214994 -0.018002 -0.268298\n-0.241709 6.258846 -0.262437\n-0.008068 -0.021364 6.251898\nLi Mn O F\n2 6 2 10\ndirect\n0.488221 0.502212 0.514100 Li\n0.007033 0.016102 0.023074 Li\n0.726705 0.445488 0.913390 Mn\n0.065628 0.242335 0.550165 Mn\n0.589419 0.077867 0.263460 Mn\n0.437102 0.905937 0.752407 Mn\n0.926826 0.759171 0.426176 Mn\n0.262748 0.565820 0.057645 Mn\n0.460763 0.597169 0.819733 O\n0.909356 0.061481 0.321516 O\n0.933101 0.681974 0.073668 F\n0.688406 0.096904 0.909625 F\n0.067056 0.307856 0.900492 F\n0.406479 0.184252 0.548874 F\n0.817082 0.474102 0.582987 F\n0.187102 0.534707 0.390160 F\n0.545072 0.403603 0.205040 F\n0.090677 0.909582 0.705819 F\n0.576596 0.794800 0.448986 F\n0.314617 0.938649 0.092674 F\n",
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"created_at": "2022-09-04T14:38:51.709047Z",
"updated_at": "2022-09-04T14:38:51.709069Z",
"structure_string": "Th4 Cr4 S12\n1.0\n6.223356 -0.000000 0.000000\n0.000000 7.353811 0.000000\n0.000000 -0.000000 8.969419\nTh Cr S\n4 4 12\ndirect\n0.450561 0.884753 0.250000 Th\n0.049440 0.384753 0.250000 Th\n0.549440 0.115247 0.750000 Th\n0.950561 0.615247 0.750000 Th\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.171419 0.675501 0.054894 S\n0.328581 0.175501 0.445106 S\n0.171419 0.675501 0.445106 S\n0.328581 0.175501 0.054894 S\n0.828581 0.324499 0.945106 S\n0.868805 0.034883 0.250000 S\n0.131195 0.965117 0.750000 S\n0.368805 0.465117 0.750000 S\n0.671420 0.824499 0.945106 S\n0.631196 0.534883 0.250000 S\n0.671420 0.824499 0.554894 S\n0.828581 0.324499 0.554894 S\n",
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{
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"created_at": "2022-09-04T14:38:52.728927Z",
"updated_at": "2022-09-04T14:38:52.728937Z",
"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.614473 0.000700 -0.041853\n-0.015657 5.790295 -0.000422\n-0.006631 0.000254 7.976423\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.502926 0.999391 0.497760 Li\n0.997613 0.497054 0.002012 Li\n0.512494 0.551436 0.749359 La\n0.988882 0.049080 0.749735 La\n0.487119 0.448802 0.251373 La\n0.015125 0.942111 0.247590 Nd\n0.998140 0.498954 0.498427 Sb\n0.501873 0.001012 0.001859 Sb\n0.305709 0.717554 0.053363 O\n0.807073 0.785374 0.549261 O\n0.789805 0.806684 0.955636 O\n0.284368 0.697539 0.451905 O\n0.212238 0.192678 0.050469 O\n0.409587 0.972042 0.758428 O\n0.602126 0.029789 0.243270 O\n0.091649 0.470512 0.741635 O\n0.186457 0.211618 0.446707 O\n0.907335 0.533446 0.255988 O\n0.708007 0.306924 0.545508 O\n0.691465 0.288002 0.949717 O\n",
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{
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"updated_at": "2022-09-04T14:38:44.692825Z",
"structure_string": "Na1 Li1 Fe2 Si4 O12\n1.0\n6.275517 0.023679 1.542067\n0.293293 6.268705 1.542067\n-0.018976 -0.018177 5.296918\nNa Li Fe Si O\n1 1 2 4 12\ndirect\n0.295626 0.704372 0.500001 Na\n0.744260 0.255740 0.000001 Li\n0.907575 0.092425 0.500001 Fe\n0.097856 0.902143 0.000001 Fe\n0.793741 0.612058 0.499929 Si\n0.616391 0.800306 0.989500 Si\n0.387941 0.206259 0.500073 Si\n0.199693 0.383608 0.010503 Si\n0.092593 0.620993 0.942966 O\n0.348147 0.372070 0.225478 O\n0.630511 0.109871 0.420720 O\n0.359104 0.345885 0.729684 O\n0.627929 0.651852 0.774524 O\n0.800151 0.978448 0.878880 O\n0.654115 0.640895 0.270318 O\n0.890129 0.369489 0.579282 O\n0.192568 0.038875 0.596900 O\n0.961125 0.807431 0.403102 O\n0.379006 0.907406 0.057036 O\n0.021551 0.199848 0.121122 O\n",
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-Na-O-Si",
"density": 3.5484354426570692,
"density_atomic": 0.0958354562331816,
"volume": 208.6910292505635,
"volume_molar": 6.2838337674808535,
"formula_full": "Na1 Li1 Fe2 Si4 O12",
"formula_reduced": "NaLiFe2(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.93333282,
"spacegroup": 5
}
]
}