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{
"id": "mp-1226568",
"created_at": "2022-09-04T14:40:43.421230Z",
"structure_string": "Cr3 B12 Rh25\n1.0\n4.823520 0.000000 0.000000\n-0.000711 7.522123 0.000000\n-0.020910 -0.011337 12.984704\nCr B Rh\n3 12 25\ndirect\n0.009234 0.684694 0.774542 Cr\n0.012657 0.999135 0.459218 Cr\n0.008778 0.506069 0.954357 Cr\n0.726964 0.224992 0.405917 B\n0.725928 0.724061 0.906778 B\n0.724682 0.776302 0.405697 B\n0.726006 0.277256 0.906378 B\n0.734882 0.000560 0.187974 B\n0.726949 0.498599 0.686035 B\n0.236293 0.283635 0.093481 B\n0.234604 0.783844 0.595117 B\n0.235797 0.716089 0.093859 B\n0.236481 0.214535 0.593724 B\n0.236514 0.499743 0.310558 B\n0.237587 0.998218 0.809958 B\n0.498694 0.000426 0.333704 Rh\n0.500883 0.502992 0.832977 Rh\n0.005260 0.500123 0.164465 Rh\n0.007414 0.996755 0.667059 Rh\n0.837126 0.192471 0.059626 Rh\n0.832422 0.689565 0.565133 Rh\n0.834074 0.807352 0.061345 Rh\n0.834489 0.307605 0.560693 Rh\n0.837901 0.501947 0.376974 Rh\n0.836333 0.994489 0.874313 Rh\n0.326697 0.310608 0.438824 Rh\n0.315164 0.806246 0.935183 Rh\n0.325655 0.689341 0.439404 Rh\n0.325595 0.188148 0.936917 Rh\n0.336957 0.999324 0.121981 Rh\n0.323372 0.501674 0.625243 Rh\n0.487261 0.685192 0.226970 Rh\n0.489122 0.184243 0.727845 Rh\n0.487152 0.315826 0.226586 Rh\n0.502812 0.808507 0.729720 Rh\n0.501570 0.500033 0.038480 Rh\n0.502486 0.997803 0.540454 Rh\n0.984402 0.819451 0.277862 Rh\n0.986659 0.331501 0.777312 Rh\n0.985707 0.180648 0.277341 Rh\n",
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{
"id": "mp-641367",
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"structure_string": "Cr3 Au1 O8\n1.0\n5.181683 -0.016326 0.624435\n2.254838 4.665188 0.624696\n0.385109 0.241032 8.342347\nCr Au O\n3 1 8\ndirect\n0.679484 0.679524 0.304399 Cr\n0.320490 0.320476 0.695610 Cr\n0.999983 0.999992 0.499977 Cr\n0.000078 0.000036 0.000015 Au\n0.319028 0.816313 0.330188 O\n0.680912 0.183726 0.669762 O\n0.793572 0.793580 0.438929 O\n0.183749 0.680873 0.669751 O\n0.206346 0.206322 0.561111 O\n0.219622 0.219568 0.886833 O\n0.816249 0.319075 0.330190 O\n0.780488 0.780514 0.113236 O\n",
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"volume": 200.4044060247718,
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"formula_full": "Cr3 Au1 O8",
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{
"id": "mp-1041638",
"created_at": "2022-09-04T14:41:08.077777Z",
"structure_string": "Cr6 As8 O32\n1.0\n5.001325 0.000000 0.000000\n0.000000 8.671889 0.000000\n0.000000 5.991461 14.629260\nCr As O\n6 8 32\ndirect\n0.434340 0.222428 0.630300 Cr\n0.565660 0.777572 0.369700 Cr\n0.934340 0.777572 0.869700 Cr\n0.065660 0.222428 0.130300 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.066708 0.041751 0.354314 As\n0.433416 0.429614 0.396395 As\n0.933416 0.570386 0.103605 As\n0.066584 0.429614 0.896395 As\n0.933292 0.958249 0.645686 As\n0.566584 0.570386 0.603605 As\n0.433292 0.041751 0.854314 As\n0.566708 0.958249 0.145686 As\n0.506568 0.794749 0.250828 O\n0.780158 0.688942 0.995165 O\n0.376864 0.349102 0.319538 O\n0.401741 0.115599 0.164796 O\n0.623136 0.650898 0.680462 O\n0.993432 0.794749 0.750828 O\n0.876864 0.650898 0.180462 O\n0.745409 0.508940 0.897400 O\n0.547228 0.107161 0.937213 O\n0.493432 0.205251 0.749172 O\n0.098259 0.115599 0.664796 O\n0.254591 0.491060 0.102600 O\n0.262995 0.612729 0.398842 O\n0.452772 0.892839 0.062787 O\n0.602895 0.035884 0.625317 O\n0.102895 0.964116 0.874683 O\n0.762995 0.387271 0.101158 O\n0.123136 0.349102 0.819538 O\n0.047228 0.892839 0.562787 O\n0.245409 0.491060 0.602600 O\n0.897105 0.035884 0.125317 O\n0.397105 0.964116 0.374683 O\n0.219842 0.311058 0.004835 O\n0.280158 0.311058 0.504835 O\n0.737005 0.387271 0.601158 O\n0.006568 0.205251 0.249172 O\n0.598259 0.884401 0.835204 O\n0.952772 0.107161 0.437213 O\n0.719842 0.688942 0.495165 O\n0.754591 0.508940 0.397400 O\n0.237005 0.612729 0.898842 O\n0.901741 0.884401 0.335204 O\n",
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"formula_full": "Cr6 As8 O32",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:47:21.647895Z",
"structure_string": "Cr12 As4 N8 O52\n1.0\n0.000000 9.840388 0.000000\n-0.036355 0.000000 10.136590\n14.530326 0.000000 -0.861305\nCr As N O\n12 4 8 52\ndirect\n0.926060 0.551768 0.149798 Cr\n0.426060 0.948232 0.850202 Cr\n0.073940 0.448232 0.850202 Cr\n0.573940 0.051768 0.149798 Cr\n0.931112 0.209122 0.479828 Cr\n0.431112 0.290878 0.520172 Cr\n0.068888 0.790878 0.520172 Cr\n0.568888 0.709122 0.479828 Cr\n0.442029 0.603221 0.196221 Cr\n0.942029 0.896779 0.803779 Cr\n0.557971 0.396779 0.803779 Cr\n0.057971 0.103221 0.196221 Cr\n0.710030 0.534959 0.314005 As\n0.210030 0.965041 0.685995 As\n0.289970 0.465041 0.685995 As\n0.789970 0.034959 0.314005 As\n0.331825 0.985363 0.360388 N\n0.831825 0.514637 0.639612 N\n0.668175 0.014637 0.639612 N\n0.168175 0.485363 0.360388 N\n0.193449 0.808121 0.038597 N\n0.693449 0.691879 0.961403 N\n0.806551 0.191879 0.961403 N\n0.306551 0.308121 0.038597 N\n0.836718 0.876327 0.313217 O\n0.336718 0.623673 0.686783 O\n0.163282 0.123673 0.686783 O\n0.663282 0.376327 0.313217 O\n0.874708 0.553253 0.270825 O\n0.374708 0.946747 0.729175 O\n0.125292 0.446747 0.729175 O\n0.625292 0.053253 0.270825 O\n0.710016 0.617029 0.423294 O\n0.210016 0.882971 0.576706 O\n0.289984 0.382971 0.576706 O\n0.789984 0.117029 0.423294 O\n0.609620 0.634593 0.245048 O\n0.109620 0.865407 0.754952 O\n0.390380 0.365407 0.754952 O\n0.890380 0.134593 0.245048 O\n0.080474 0.495508 0.137994 O\n0.580474 0.004492 0.862006 O\n0.919526 0.504492 0.862006 O\n0.419526 0.995508 0.137994 O\n0.674695 0.957667 0.086212 O\n0.174695 0.542333 0.913788 O\n0.325305 0.042333 0.913788 O\n0.825305 0.457667 0.086212 O\n0.921366 0.698850 0.110353 O\n0.421366 0.801150 0.889647 O\n0.078634 0.301150 0.889647 O\n0.578634 0.198850 0.110353 O\n0.076012 0.796328 0.407308 O\n0.576012 0.703672 0.592692 O\n0.923988 0.203672 0.592692 O\n0.423988 0.296328 0.407308 O\n0.573821 0.863728 0.456484 O\n0.073821 0.636272 0.543516 O\n0.426179 0.136272 0.543516 O\n0.926179 0.363728 0.456484 O\n0.424767 0.646382 0.444597 O\n0.924767 0.853618 0.555403 O\n0.575233 0.353618 0.555403 O\n0.075233 0.146382 0.444597 O\n0.443995 0.615270 0.084728 O\n0.943995 0.884730 0.915272 O\n0.556005 0.384730 0.915272 O\n0.056005 0.115270 0.084728 O\n0.109690 0.956801 0.218309 O\n0.609690 0.543199 0.781691 O\n0.890310 0.043199 0.781691 O\n0.390310 0.456801 0.218309 O\n0.331593 0.712404 0.238722 O\n0.831593 0.787596 0.761278 O\n0.668407 0.287596 0.761278 O\n0.168407 0.212404 0.238722 O\n",
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"formula_full": "Cr12 As4 N8 O52",
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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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}