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{
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{
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{
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{
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{
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{
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{
"id": "mp-686681",
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"structure_string": "Ca12 Ga12 Si6 H4 O48\n1.0\n7.792948 0.000000 0.000000\n-2.681650 7.509116 0.000000\n-2.562658 -3.655481 19.051504\nCa Ga Si H O\n12 12 6 4 48\ndirect\n0.901329 0.901861 0.096124 Ca\n0.481017 0.474069 0.238910 Ca\n0.673958 0.977745 0.333672 Ca\n0.145358 0.132616 0.573277 Ca\n0.336593 0.643685 0.668514 Ca\n0.954369 0.652361 0.331632 Ca\n0.573722 0.560417 0.429048 Ca\n0.800497 0.801801 0.902076 Ca\n0.622666 0.322252 0.668205 Ca\n0.236101 0.227528 0.763464 Ca\n0.996701 0.284457 0.999839 Ca\n0.285942 0.001749 0.999475 Ca\n0.416223 0.671823 0.081863 Ga\n0.007377 0.255570 0.246872 Ga\n0.667474 0.420664 0.086549 Ga\n0.743510 0.250766 0.498840 Ga\n0.410040 0.911301 0.834598 Ga\n0.251391 0.998792 0.250176 Ga\n0.753754 0.999833 0.749469 Ga\n0.582387 0.083584 0.165719 Ga\n0.911794 0.671179 0.586004 Ga\n0.258983 0.750308 0.500092 Ga\n0.578761 0.333003 0.917966 Ga\n0.924540 0.423297 0.832998 Ga\n0.087024 0.585755 0.167352 Si\n0.084601 0.328055 0.417141 Si\n0.670412 0.919441 0.581612 Si\n0.318727 0.077234 0.415677 Si\n0.332920 0.580770 0.916323 Si\n0.996265 0.748953 0.749958 Si\n0.657513 0.306240 0.328987 H\n0.232359 0.230449 0.114868 H\n0.328056 0.973994 0.664632 H\n0.986765 0.653134 0.993275 H\n0.735301 0.749483 0.275777 O\n0.444660 0.910634 0.087997 O\n0.088109 0.795087 0.185849 O\n0.927047 0.472841 0.097543 O\n0.674653 0.434157 0.337093 O\n0.285522 0.572722 0.151683 O\n0.043081 0.496840 0.238515 O\n0.640743 0.643105 0.096093 O\n0.744006 0.481178 0.519843 O\n0.955469 0.238627 0.339277 O\n0.544970 0.133808 0.422552 O\n0.336617 0.099069 0.666492 O\n0.969217 0.244645 0.477299 O\n0.146905 0.146232 0.074616 O\n0.569928 0.308212 0.156630 O\n0.702698 0.132179 0.574248 O\n0.276335 0.273012 0.426440 O\n0.224005 0.216555 0.242085 O\n0.494043 0.036660 0.248260 O\n0.610247 0.890511 0.657729 O\n0.219091 0.787240 0.755203 O\n0.208008 0.947290 0.340063 O\n0.822164 0.083594 0.182990 O\n0.624236 0.888158 0.812167 O\n0.791390 0.805161 0.396209 O\n0.240820 0.967671 0.477681 O\n0.972202 0.947980 0.754900 O\n0.358607 0.792294 0.909675 O\n0.864294 0.883651 0.574656 O\n0.156565 0.721555 0.578322 O\n0.271274 0.546144 0.992398 O\n0.999989 0.780559 0.001041 O\n0.880983 0.615195 0.673871 O\n0.507142 0.774241 0.517766 O\n0.170856 0.436792 0.851497 O\n0.488724 0.691433 0.337647 O\n0.391801 0.411741 0.604754 O\n0.453007 0.468183 0.725408 O\n0.151047 0.550946 0.425565 O\n0.911895 0.643678 0.811658 O\n0.526555 0.545192 0.908243 O\n0.828408 0.391914 0.912933 O\n0.552333 0.262541 0.002658 O\n0.150940 0.352236 0.664354 O\n0.062761 0.068544 0.924217 O\n0.810889 0.245100 0.753472 O\n0.413769 0.145328 0.848344 O\n0.781348 0.997173 0.997970 O\n",
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"elements": [
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],
"chemical_system": "Ca-Ga-H-O-Si",
"density": 3.363394330271994,
"density_atomic": 0.07355191668647726,
"volume": 1114.8587785894633,
"volume_molar": 8.187605478277346,
"formula_full": "Ca12 Ga12 Si6 H4 O48",
"formula_reduced": "Ca6Ga6Si3(HO12)2",
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"energy": -559.7599942,
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},
{
"id": "mp-546936",
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"structure_string": "Co2 Rh4 O8\n1.0\n0.000009 -0.000003 6.102319\n5.284737 -0.000023 -3.051158\n1.761616 4.982498 3.051156\nCo Rh O\n2 4 8\ndirect\n0.749999 0.874999 0.875000 Co\n0.250000 0.125002 0.124999 Co\n0.499987 0.500007 0.500007 Rh\n0.000014 0.500007 0.999978 Rh\n0.000015 0.500007 0.500009 Rh\n0.499984 0.999978 0.500008 Rh\n0.480304 0.740153 0.740151 O\n0.480304 0.740153 0.279544 O\n0.019695 0.740151 0.740153 O\n0.980251 0.259874 0.259874 O\n0.519751 0.259877 0.259875 O\n0.019698 0.279544 0.740151 O\n0.519750 0.259875 0.720375 O\n0.980250 0.720375 0.259876 O\n",
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"density": 6.7946545897058845,
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"volume": 160.68177895275113,
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"formula_full": "Co2 Rh4 O8",
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"updated_at": "2021-11-28T01:34:30.063000Z",
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}
]
}