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{
"id": "mp-1522525",
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{
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{
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{
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{
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"structure_string": "Cs8 Cu40 S24\n1.0\n13.084112 0.000000 0.000000\n0.000000 13.084112 0.000000\n0.000000 0.000000 7.806430\nCs Cu S\n8 40 24\ndirect\n0.615272 0.111293 0.625801 Cs\n0.115272 0.388707 0.874199 Cs\n0.384728 0.888707 0.625801 Cs\n0.884728 0.611293 0.874199 Cs\n0.888707 0.615272 0.374199 Cs\n0.611293 0.115272 0.125801 Cs\n0.111293 0.384728 0.374199 Cs\n0.388707 0.884728 0.125801 Cs\n0.508286 0.384492 0.602726 Cu\n0.008286 0.115508 0.897274 Cu\n0.491714 0.615508 0.602726 Cu\n0.991714 0.884492 0.897274 Cu\n0.615508 0.508286 0.397274 Cu\n0.884492 0.008286 0.102726 Cu\n0.384492 0.491714 0.397274 Cu\n0.115508 0.991714 0.102726 Cu\n0.900544 0.021998 0.636919 Cu\n0.400544 0.478002 0.863081 Cu\n0.099456 0.978002 0.636919 Cu\n0.599456 0.521998 0.863081 Cu\n0.978002 0.900544 0.363081 Cu\n0.521998 0.400544 0.136919 Cu\n0.021998 0.099456 0.363081 Cu\n0.478002 0.599456 0.136919 Cu\n0.647799 0.780662 0.634749 Cu\n0.147799 0.719338 0.865251 Cu\n0.352201 0.219338 0.634749 Cu\n0.852201 0.280662 0.865251 Cu\n0.219338 0.647799 0.365251 Cu\n0.280662 0.147799 0.134749 Cu\n0.780662 0.352201 0.365251 Cu\n0.719338 0.852201 0.134749 Cu\n0.891214 0.219819 0.535993 Cu\n0.391214 0.280181 0.964007 Cu\n0.108786 0.780181 0.535993 Cu\n0.608786 0.719819 0.964007 Cu\n0.780181 0.891214 0.464007 Cu\n0.719819 0.391214 0.035993 Cu\n0.219819 0.108786 0.464007 Cu\n0.280181 0.608786 0.035993 Cu\n0.714993 0.397172 0.684255 Cu\n0.214993 0.102828 0.815745 Cu\n0.285007 0.602828 0.684255 Cu\n0.785007 0.897172 0.815745 Cu\n0.602828 0.714993 0.315745 Cu\n0.897172 0.214993 0.184255 Cu\n0.397172 0.285007 0.315745 Cu\n0.102828 0.785007 0.184255 Cu\n0.880725 0.380861 0.620330 S\n0.380725 0.119139 0.879670 S\n0.119275 0.619139 0.620330 S\n0.619275 0.880861 0.879670 S\n0.619139 0.880725 0.379670 S\n0.880861 0.380725 0.120330 S\n0.380861 0.119275 0.379670 S\n0.119139 0.619275 0.120330 S\n0.910416 0.840798 0.631151 S\n0.410416 0.659202 0.868849 S\n0.089584 0.159202 0.631151 S\n0.589584 0.340798 0.868849 S\n0.159202 0.910416 0.368849 S\n0.340798 0.410416 0.131151 S\n0.840798 0.089584 0.368849 S\n0.659202 0.589584 0.131151 S\n0.665556 0.605601 0.627000 S\n0.165556 0.894399 0.873000 S\n0.334444 0.394399 0.627000 S\n0.834444 0.105601 0.873000 S\n0.394399 0.665556 0.373000 S\n0.105601 0.165556 0.127000 S\n0.605601 0.334444 0.373000 S\n0.894399 0.834444 0.127000 S\n",
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{
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{
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{
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"structure_string": "Dy6 Mg1 Sb10 O24\n1.0\n-5.365272 5.399169 5.399169\n5.512768 -5.320116 5.470994\n5.512768 5.470994 -5.320116\nDy Mg Sb O\n6 1 10 24\ndirect\n0.750363 0.258546 0.509601 Dy\n0.750363 0.509601 0.258546 Dy\n0.504782 0.266871 0.752905 Dy\n0.504782 0.752905 0.266871 Dy\n0.268394 0.758192 0.512817 Dy\n0.268394 0.512817 0.758192 Dy\n0.673019 0.698965 0.698965 Mg\n0.524345 0.011823 0.011823 Sb\n0.271676 0.993995 0.282340 Sb\n0.271676 0.282340 0.993995 Sb\n0.753846 0.052310 0.761019 Sb\n0.753846 0.761019 0.052310 Sb\n0.998977 0.529299 0.004010 Sb\n0.998977 0.004010 0.529299 Sb\n0.422447 0.420388 0.420388 Sb\n0.989683 0.284074 0.284074 Sb\n0.032042 0.731411 0.731411 Sb\n0.470047 0.993252 0.198212 O\n0.470047 0.198212 0.993252 O\n0.705797 0.523255 0.006228 O\n0.705797 0.006228 0.523255 O\n0.783837 0.296020 0.296020 O\n0.484442 0.487390 0.192581 O\n0.484442 0.192581 0.487390 O\n0.515245 0.714653 0.011083 O\n0.515245 0.011083 0.714653 O\n0.683309 0.507911 0.507911 O\n0.789207 0.310669 0.795500 O\n0.789207 0.795500 0.310669 O\n0.195535 0.481949 0.998102 O\n0.195535 0.998102 0.481949 O\n0.478426 0.670180 0.484667 O\n0.478426 0.484667 0.670180 O\n0.980980 0.471498 0.188810 O\n0.980980 0.188810 0.471498 O\n0.291216 0.795853 0.299494 O\n0.291216 0.299494 0.795853 O\n0.181646 0.492948 0.492948 O\n0.003795 0.702323 0.506151 O\n0.003795 0.506151 0.702323 O\n0.291359 0.803421 0.803421 O\n",
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"formula_full": "Dy6 Mg1 Sb10 O24",
"formula_reduced": "Dy6Mg(Sb5O12)2",
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{
"id": "mp-989573",
"created_at": "2022-09-04T14:39:33.169948Z",
"structure_string": "Rb2 Br1 Cl6 F1\n1.0\n0.000000 5.125468 5.125468\n5.125468 0.000000 5.125468\n5.125468 5.125468 0.000000\nRb Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Br\n0.258680 0.741320 0.741320 Cl\n0.258680 0.741320 0.258680 Cl\n0.741320 0.258680 0.741320 Cl\n0.741320 0.741320 0.258680 Cl\n0.258680 0.258680 0.741320 Cl\n0.741320 0.258680 0.258680 Cl\n0.000000 0.000000 0.000000 F\n",
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"elements": [
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"Br",
"Cl",
"F"
],
"chemical_system": "Br-Cl-F-Rb",
"density": 2.975543100344912,
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"volume": 269.29641686019295,
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"formula_full": "Rb2 Br1 Cl6 F1",
"formula_reduced": "Rb2BrCl6F",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-755984",
"created_at": "2022-09-04T14:39:33.076514Z",
"structure_string": "Na12 Mn4 O12\n1.0\n-4.384340 4.166432 -0.000015\n0.000033 -0.000005 10.882992\n4.318919 4.276572 0.000011\nNa Mn O\n12 4 12\ndirect\n0.907931 0.775869 0.045739 Na\n0.407922 0.724126 0.045740 Na\n0.592078 0.275868 0.954259 Na\n0.092077 0.224135 0.954256 Na\n0.857544 0.002710 0.353688 Na\n0.357536 0.497290 0.353681 Na\n0.642482 0.502718 0.646314 Na\n0.142461 0.997294 0.646307 Na\n0.983139 0.278134 0.506104 Na\n0.516857 0.778137 0.493895 Na\n0.483153 0.221859 0.506099 Na\n0.016854 0.721870 0.493899 Na\n0.667522 0.997249 0.835497 Mn\n0.167519 0.502750 0.835511 Mn\n0.832462 0.497248 0.164508 Mn\n0.332455 0.002746 0.164496 Mn\n0.606210 0.912275 0.111297 O\n0.893799 0.412280 0.888699 O\n0.106214 0.587722 0.111308 O\n0.393788 0.087721 0.888696 O\n0.680990 0.368388 0.300038 O\n0.819014 0.868393 0.699960 O\n0.180985 0.131608 0.300038 O\n0.319018 0.631613 0.699959 O\n0.691503 0.627301 0.305273 O\n0.808490 0.127300 0.694735 O\n0.191502 0.872693 0.305266 O\n0.308494 0.372701 0.694737 O\n",
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"formula_full": "Na12 Mn4 O12",
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{
"id": "mp-760484",
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"structure_string": "Tm2 B2 O6\n1.0\n2.103762 -3.264700 0.000000\n2.103762 3.264700 0.000000\n0.000000 0.000000 8.470664\nTm B O\n2 2 6\ndirect\n0.064172 0.064172 0.000000 Tm\n0.064172 0.064172 0.500000 Tm\n0.495842 0.764040 0.250000 B\n0.764040 0.495842 0.750000 B\n0.326197 0.670920 0.101572 O\n0.326197 0.670920 0.398428 O\n0.878354 0.984674 0.250000 O\n0.670920 0.326197 0.601572 O\n0.670920 0.326197 0.898428 O\n0.984674 0.878354 0.750000 O\n",
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"formula_full": "Tm2 B2 O6",
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]
}