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"structure_string": "Ba4 V2 P4 O22\n1.0\n5.146441 0.000000 -0.057970\n0.000000 8.739930 0.000000\n0.015851 0.000000 10.493835\nBa V P O\n4 2 4 22\ndirect\n0.972573 0.982851 0.947419 Ba\n0.027427 0.482851 0.052580 Ba\n-0.005672 0.343732 0.613745 Ba\n0.005671 0.843732 0.386254 Ba\n0.559956 0.002796 0.673037 V\n0.440043 0.502796 0.326963 V\n0.530436 0.645147 0.590596 P\n0.469564 0.145147 0.409404 P\n0.498153 0.290149 0.853143 P\n0.501847 0.790149 0.146856 P\n0.643067 0.948148 0.150839 O\n0.762926 0.131775 0.420073 O\n0.237074 0.631775 0.579927 O\n0.345612 0.068030 0.289323 O\n0.654387 0.568030 0.710677 O\n0.211039 0.794506 0.118432 O\n0.788961 0.294506 0.881568 O\n0.659833 0.704481 0.046170 O\n0.340167 0.204481 0.953829 O\n0.356933 0.448148 0.849161 O\n0.543241 0.718861 0.284131 O\n0.337304 0.056783 0.523633 O\n0.376799 0.314133 0.423625 O\n0.623200 0.814133 0.576375 O\n0.930548 0.683118 0.837315 O\n0.456759 0.218861 0.715868 O\n0.126054 0.542891 0.304622 O\n0.873946 0.042891 0.695377 O\n0.546322 0.429767 0.191857 O\n0.453678 0.929767 0.808143 O\n0.662695 0.556783 0.476367 O\n0.069452 0.183118 0.162684 O\n",
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"structure_string": "K1 La1 Cu2 O4\n1.0\n3.942479 0.000000 0.000000\n0.000000 3.942479 0.000000\n-0.000000 0.000000 7.204325\nK La Cu O\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.739190 Cu\n0.500000 0.500000 0.260811 Cu\n-0.000000 0.500000 0.717621 O\n0.500000 0.000000 0.717621 O\n-0.000000 0.500000 0.282379 O\n0.500000 0.000000 0.282379 O\n",
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"structure_string": "K2 Eu2 Pd2 O6\n1.0\n3.919449 -0.000000 -0.000000\n-1.959724 6.359602 -1.640037\n-0.000000 0.007496 7.343541\nK Eu Pd O\n2 2 2 6\ndirect\n0.355522 0.711041 0.436598 K\n0.644480 0.288960 0.563402 K\n0.649737 0.299473 0.076825 Eu\n0.350264 0.700527 0.923175 Eu\n0.992908 0.985814 0.228410 Pd\n0.007093 0.014186 0.771589 Pd\n0.829293 0.658584 0.132433 O\n0.846751 0.693500 0.724526 O\n0.493739 0.987476 0.188457 O\n0.506262 0.012524 0.811543 O\n0.170709 0.341417 0.867567 O\n0.153251 0.306501 0.275473 O\n",
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"structure_string": "Li2 Mn3 Co1 O8\n1.0\n5.772030 0.016363 0.011571\n2.900186 4.990544 0.011571\n2.900186 1.674422 4.701272\nLi Mn Co O\n2 3 1 8\ndirect\n0.118754 0.118754 0.118754 Li\n0.498395 0.498393 0.498394 Li\n0.005433 0.499082 0.499082 Mn\n0.499083 0.005431 0.499082 Mn\n0.499083 0.499082 0.005432 Mn\n0.880683 0.880680 0.880681 Co\n0.261301 0.261300 0.261300 O\n0.251632 0.251630 0.712125 O\n0.251632 0.712124 0.251631 O\n0.712126 0.251630 0.251631 O\n0.283782 0.747870 0.747870 O\n0.747872 0.283780 0.747870 O\n0.747872 0.747869 0.283780 O\n0.742366 0.742363 0.742363 O\n",
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"structure_string": "Sr12 Mg4 Si8 O32\n1.0\n5.484179 0.000000 0.000000\n0.000000 9.470293 0.068233\n0.000000 0.099437 13.945488\nSr Mg Si O\n12 4 8 32\ndirect\n0.694246 0.250236 0.250049 Sr\n0.267839 0.423087 0.912251 Sr\n0.767839 0.576913 0.587749 Sr\n0.194246 0.749764 0.249951 Sr\n0.232161 0.423087 0.412251 Sr\n0.305754 0.749764 0.749951 Sr\n0.732149 0.923144 0.412118 Sr\n0.232149 0.076856 0.087882 Sr\n0.805754 0.250236 0.750049 Sr\n0.767851 0.923144 0.912118 Sr\n0.732161 0.576913 0.087749 Sr\n0.267851 0.076856 0.587882 Sr\n0.749992 0.249973 0.500043 Mg\n0.250008 0.750027 0.499957 Mg\n0.249992 0.750027 0.999957 Mg\n0.750008 0.249973 0.000043 Mg\n0.262479 0.410243 0.634947 Si\n0.762479 0.589757 0.865053 Si\n0.237563 0.089823 0.365115 Si\n0.237521 0.410243 0.134947 Si\n0.737563 0.910177 0.134885 Si\n0.262437 0.089823 0.865115 Si\n0.737522 0.589757 0.365053 Si\n0.762437 0.910177 0.634885 Si\n0.481755 0.676131 0.385381 O\n0.784251 0.066143 0.580632 O\n0.284251 0.933857 0.919368 O\n0.518245 0.323869 0.614619 O\n0.018245 0.676131 0.885381 O\n0.542379 0.673881 0.923552 O\n0.481707 0.823833 0.114603 O\n0.981755 0.323869 0.114619 O\n0.174459 0.077076 0.754950 O\n0.715749 0.066143 0.080632 O\n0.518294 0.176167 0.885397 O\n0.042379 0.326119 0.576449 O\n0.957489 0.826052 0.076281 O\n0.215780 0.566172 0.080622 O\n0.457489 0.173948 0.423719 O\n0.215749 0.933857 0.419368 O\n0.981707 0.176167 0.385397 O\n0.284220 0.566172 0.580622 O\n0.825131 0.576806 0.254859 O\n0.042511 0.173948 0.923719 O\n0.674459 0.922924 0.745050 O\n0.715780 0.433828 0.419378 O\n0.825541 0.922924 0.245050 O\n0.174870 0.423194 0.745141 O\n0.018293 0.823833 0.614603 O\n0.542512 0.826052 0.576281 O\n0.674870 0.576806 0.754859 O\n0.325130 0.423194 0.245141 O\n0.784220 0.433828 0.919378 O\n0.325541 0.077076 0.254950 O\n0.457621 0.326119 0.076448 O\n0.957622 0.673881 0.423551 O\n",
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"density": 4.322637695784885,
"density_atomic": 0.07732173413194884,
"volume": 724.2465605393239,
"volume_molar": 7.788419165202984,
"formula_full": "Sr12 Mg4 Si8 O32",
"formula_reduced": "Sr3Mg(SiO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.799451655714286,
"spacegroup": 15
}
]
}