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{
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"structure_string": "Li3 Mn2 Fe1 B3 O9\n1.0\n0.000000 8.173918 -0.004450\n3.093304 0.000000 0.000000\n0.000000 -4.073335 -7.089547\nLi Mn Fe B O\n3 2 1 3 9\ndirect\n0.984887 0.499999 0.700305 Li\n0.300348 0.499999 0.285357 Li\n0.712761 0.499999 0.012547 Li\n0.360530 0.000000 0.990506 Mn\n0.009314 0.000000 0.369555 Mn\n0.632830 0.000000 0.640193 Fe\n0.667455 0.499999 0.336415 B\n0.334903 0.499999 0.665053 B\n0.997741 0.000000 -0.000973 B\n0.530134 0.499999 0.745400 O\n0.916743 0.000000 0.803723 O\n0.576549 0.499999 0.441713 O\n0.193037 0.000000 0.112711 O\n0.862253 0.499999 0.426351 O\n0.562835 0.499999 0.141233 O\n0.253524 0.499999 0.779358 O\n0.883486 0.000000 0.080126 O\n0.220683 0.499999 0.470435 O\n",
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{
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"structure_string": "Li4 Ni2 Sn2 O8\n1.0\n6.060154 -0.104947 -0.038320\n0.264113 6.055306 -0.038320\n-3.187312 -2.998870 4.379833\nLi Ni Sn O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Li\n0.499999 0.500000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Ni\n0.500000 -0.000001 0.500000 Ni\n-0.000000 -0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.242902 0.757080 0.013046 O\n0.238737 0.240126 0.489443 O\n0.242919 0.757098 0.486954 O\n0.759872 0.761262 0.010557 O\n0.240126 0.238737 0.989443 O\n0.757079 0.242902 0.513045 O\n0.761261 0.759873 0.510556 O\n0.757097 0.242919 0.986954 O\n",
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"structure_string": "Na8 Te4 H40 O32\n1.0\n6.677936 3.678778 -0.847417\n-6.677936 3.678778 0.847417\n0.104157 0.000000 17.021862\nNa Te H O\n8 4 40 32\ndirect\n0.469051 0.564037 0.575156 Na\n0.564037 0.469051 0.924844 Na\n0.530950 0.435963 0.424844 Na\n0.435963 0.530949 0.075156 Na\n0.516372 0.516371 0.750000 Na\n0.483629 0.483629 0.250000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n0.147325 0.825570 0.183255 Te\n0.825570 0.147325 0.316745 Te\n0.852676 0.174430 0.816745 Te\n0.174431 0.852675 0.683255 Te\n0.875270 0.768186 0.342713 H\n0.768186 0.875270 0.157287 H\n0.832045 0.843293 0.455188 H\n0.843293 0.832045 0.044812 H\n0.167956 0.156707 0.544812 H\n0.156707 0.167955 0.955188 H\n0.874138 0.805236 0.545536 H\n0.125863 0.194764 0.454464 H\n0.588076 0.911045 0.655866 H\n0.795906 0.901209 0.655619 H\n0.901209 0.795906 0.844381 H\n0.204095 0.098791 0.344381 H\n0.098791 0.204095 0.155619 H\n0.231814 0.124730 0.842713 H\n0.911045 0.588076 0.844134 H\n0.411924 0.088956 0.344134 H\n0.088956 0.411924 0.155866 H\n0.194764 0.125862 0.045536 H\n0.124730 0.231814 0.657287 H\n0.805236 0.874138 0.954463 H\n0.877771 0.556792 0.340050 H\n0.556792 0.877770 0.159950 H\n0.774418 0.469308 0.646701 H\n0.469309 0.774418 0.853299 H\n0.530692 0.225583 0.146701 H\n0.554886 0.253250 0.647318 H\n0.253251 0.554886 0.852682 H\n0.445115 0.746750 0.352682 H\n0.746750 0.445115 0.147318 H\n0.432964 0.840471 0.458918 H\n0.225583 0.530692 0.353299 H\n0.567037 0.159529 0.541082 H\n0.159530 0.567036 0.958918 H\n0.366013 0.851294 0.543598 H\n0.851295 0.366013 0.956402 H\n0.633988 0.148706 0.456402 H\n0.148706 0.633987 0.043598 H\n0.122230 0.443208 0.659950 H\n0.840471 0.432964 0.041082 H\n0.443209 0.122230 0.840050 H\n0.755959 0.341671 0.997728 O\n0.733545 0.780757 0.000942 O\n0.219244 0.266456 0.500942 O\n0.266456 0.219244 0.999058 O\n0.651973 0.828592 0.673527 O\n0.828593 0.651973 0.826473 O\n0.348027 0.171408 0.326473 O\n0.376772 0.595943 0.345760 O\n0.623228 0.404057 0.654240 O\n0.404058 0.623228 0.845759 O\n0.595943 0.376772 0.154240 O\n0.341671 0.755959 0.502272 O\n0.780757 0.733544 0.499058 O\n0.171408 0.348027 0.173527 O\n0.622331 0.794257 0.172598 O\n0.992655 0.420561 0.874260 O\n0.377670 0.205743 0.827402 O\n0.205743 0.377669 0.672597 O\n0.402497 0.968547 0.134035 O\n0.968547 0.402497 0.365965 O\n0.597503 0.031454 0.865965 O\n0.031454 0.597503 0.634035 O\n0.007345 0.579440 0.125740 O\n0.579440 0.007345 0.374260 O\n0.420561 0.992655 0.625740 O\n0.023792 0.962446 0.125514 O\n0.962447 0.023792 0.374486 O\n0.976208 0.037554 0.874486 O\n0.037554 0.976208 0.625514 O\n0.658329 0.244042 0.497728 O\n0.794258 0.622331 0.327402 O\n0.244042 0.658329 0.002272 O\n",
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"structure_string": "Li1 Co2 Cu1 O6\n1.0\n5.917758 -2.905509 -0.130549\n-0.000000 -1.465869 2.396597\n-3.231746 -3.926551 -2.401661\nLi Co Cu O\n1 2 1 6\ndirect\n0.637538 0.681231 0.137496 Li\n-0.001664 0.000832 0.000746 Co\n0.689804 0.655098 0.648679 Co\n0.318714 0.340644 0.366269 Cu\n0.967240 0.516380 0.202628 O\n0.392009 0.803995 0.590244 O\n0.697883 0.151059 0.881724 O\n0.292036 0.853983 0.132020 O\n0.684895 0.157553 0.433327 O\n0.988211 0.505895 0.773537 O\n",
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"structure_string": "Co2 O4\n1.0\n2.828356 0.000000 0.000000\n-1.414178 2.440577 -0.000000\n0.000000 0.000000 8.661531\nCo O\n2 4\ndirect\n0.500001 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.166543 0.333087 0.607247 O\n0.833458 0.666914 0.392753 O\n0.333457 0.666914 0.107247 O\n0.666544 0.333087 0.892753 O\n",
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"density_atomic": 0.10035121527769506,
"volume": 219.23003063909994,
"volume_molar": 6.001064106035329,
"formula_full": "Na2 H6 C4 O10",
"formula_reduced": "NaH3C2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 3.3098178636363635,
"spacegroup": 2
}
]
}