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{
"id": "mp-1049234",
"created_at": "2022-09-04T14:48:10.422696Z",
"structure_string": "Ba6 Y3 Cr6 F33\n1.0\n3.954931 -6.850142 0.000000\n3.954931 6.850142 0.000000\n0.000000 0.000000 14.140209\nBa Y Cr F\n6 3 6 33\ndirect\n0.557005 0.199133 0.667223 Ba\n0.182115 0.514474 0.811014 Ba\n0.642129 0.442995 0.000556 Ba\n0.485526 0.667641 0.477681 Ba\n0.332359 0.817885 0.144348 Ba\n0.800867 0.357871 0.333889 Ba\n0.150354 0.002944 0.883484 Y\n0.852590 0.849646 0.216817 Y\n0.997056 0.147410 0.550150 Y\n0.639039 0.994431 0.889659 Cr\n0.770365 0.749174 0.724075 Cr\n0.250826 0.021192 0.390742 Cr\n0.355392 0.360961 0.222992 Cr\n0.978808 0.229635 0.057408 Cr\n0.005569 0.644608 0.556326 Cr\n0.690085 0.101656 0.025441 F\n0.507148 0.712209 0.926967 F\n0.411571 0.309915 0.358774 F\n0.095505 0.423616 0.475202 F\n0.541722 0.273555 0.179852 F\n0.923187 0.620819 0.184510 F\n0.576384 0.671889 0.141868 F\n0.379181 0.302367 0.851177 F\n0.731833 0.458278 0.513185 F\n0.262281 0.340533 0.086144 F\n0.328111 0.904495 0.808535 F\n0.898344 0.588429 0.692107 F\n0.331392 0.028113 0.001050 F\n0.035307 0.497051 0.020131 F\n0.696721 0.668608 0.334383 F\n0.287791 0.794939 0.593634 F\n0.996212 0.164762 0.899626 F\n0.078253 0.737719 0.419477 F\n0.008319 0.054668 0.398872 F\n0.971887 0.303279 0.667716 F\n0.046350 0.991681 0.732205 F\n0.502949 0.538257 0.686798 F\n0.461743 0.964693 0.353464 F\n0.168550 0.003788 0.232959 F\n0.659467 0.921747 0.752811 F\n0.726445 0.268167 0.846518 F\n0.205061 0.492852 0.260300 F\n0.916620 0.703066 0.884725 F\n0.786446 0.083380 0.218059 F\n0.945332 0.953650 0.065538 F\n0.697633 0.076813 0.517844 F\n0.835238 0.831450 0.566292 F\n0.296934 0.213554 0.551392 F\n",
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"formula_full": "Ba6 Y3 Cr6 F33",
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{
"id": "mp-772337",
"created_at": "2022-09-04T14:48:10.437218Z",
"structure_string": "Cr12 Cu8 O48\n1.0\n8.877932 0.000000 0.000000\n0.000000 8.977619 0.000000\n0.000000 0.000000 12.245410\nCr Cu O\n12 8 48\ndirect\n0.250000 0.461926 0.000000 Cr\n0.750000 0.538074 0.000000 Cr\n0.605821 0.100144 0.144826 Cr\n0.105821 0.899856 0.144826 Cr\n0.105821 0.399856 0.355174 Cr\n0.605821 0.600144 0.355174 Cr\n0.750000 0.038074 0.500000 Cr\n0.250000 0.961926 0.500000 Cr\n0.394179 0.399856 0.644826 Cr\n0.894179 0.600144 0.644826 Cr\n0.894179 0.100144 0.855174 Cr\n0.394179 0.899856 0.855174 Cr\n0.970454 0.250237 0.122088 Cu\n0.470454 0.749763 0.122088 Cu\n0.470454 0.249763 0.377912 Cu\n0.970454 0.750237 0.377912 Cu\n0.029546 0.249763 0.622088 Cu\n0.529546 0.750237 0.622088 Cu\n0.529546 0.250237 0.877912 Cu\n0.029546 0.749763 0.877912 Cu\n0.565381 0.144650 0.016689 O\n0.065381 0.855350 0.016689 O\n0.371088 0.566610 0.068477 O\n0.871088 0.433390 0.068477 O\n0.162656 0.354406 0.091933 O\n0.662656 0.645594 0.091933 O\n0.105453 0.085107 0.163408 O\n0.605453 0.914893 0.163408 O\n0.776996 0.159455 0.177176 O\n0.276996 0.840545 0.177176 O\n0.475236 0.175914 0.225421 O\n0.975236 0.824086 0.225421 O\n0.975236 0.324086 0.274579 O\n0.475236 0.675914 0.274579 O\n0.776996 0.659455 0.322824 O\n0.276996 0.340545 0.322824 O\n0.605453 0.414893 0.336592 O\n0.105453 0.585107 0.336592 O\n0.662656 0.145594 0.408067 O\n0.162656 0.854406 0.408067 O\n0.371088 0.066610 0.431523 O\n0.871088 0.933390 0.431523 O\n0.565381 0.644650 0.483311 O\n0.065381 0.355350 0.483311 O\n0.434619 0.355350 0.516689 O\n0.934619 0.644650 0.516689 O\n0.128912 0.066610 0.568477 O\n0.628912 0.933390 0.568477 O\n0.837344 0.145594 0.591933 O\n0.337344 0.854406 0.591933 O\n0.894547 0.414893 0.663408 O\n0.394547 0.585107 0.663408 O\n0.223004 0.340545 0.677176 O\n0.723004 0.659455 0.677176 O\n0.524764 0.324086 0.725421 O\n0.024764 0.675914 0.725421 O\n0.024764 0.175914 0.774579 O\n0.524764 0.824086 0.774579 O\n0.723004 0.159455 0.822824 O\n0.223004 0.840545 0.822824 O\n0.394547 0.085107 0.836592 O\n0.894547 0.914893 0.836592 O\n0.337344 0.354406 0.908067 O\n0.837344 0.645594 0.908067 O\n0.628912 0.433390 0.931523 O\n0.128912 0.566610 0.931523 O\n0.934619 0.144650 0.983311 O\n0.434619 0.855350 0.983311 O\n",
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"elements": [
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"volume": 975.992129446165,
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"formula_full": "Cr12 Cu8 O48",
"formula_reduced": "Cr3(CuO6)2",
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{
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"created_at": "2022-09-04T14:48:10.446032Z",
"structure_string": "V2 Ni1 Se4\n1.0\n1.697752 6.478059 0.000000\n-1.697752 6.478059 0.000000\n0.000000 2.789165 5.529605\nV Ni Se\n2 1 4\ndirect\n0.254744 0.254744 0.687403 V\n0.745256 0.745256 0.312597 V\n0.000000 0.000000 0.000000 Ni\n0.360610 0.360610 0.977861 Se\n0.639390 0.639390 0.022139 Se\n0.104846 0.104846 0.553455 Se\n0.895154 0.895154 0.446545 Se\n",
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{
"id": "mp-1045459",
"created_at": "2022-09-04T14:48:10.450641Z",
"structure_string": "Ba4 Ca2 Cu6 F28\n1.0\n5.402710 0.010509 -0.005871\n-2.687597 6.907418 -0.189842\n-0.016834 -0.032153 14.894169\nBa Ca Cu F\n4 2 6 28\ndirect\n0.129215 0.385048 0.622145 Ba\n0.258212 0.386032 0.123321 Ba\n0.870719 0.614324 0.377801 Ba\n0.745934 0.615007 0.878644 Ba\n0.416804 0.999186 0.749986 Ca\n0.581446 0.996689 0.250463 Ca\n0.097185 0.238775 0.875814 Cu\n0.901685 0.759508 0.125147 Cu\n0.142041 0.239800 0.375575 Cu\n0.858480 0.759222 0.625839 Cu\n0.502252 0.001185 0.999672 Cu\n0.499604 0.999620 0.500633 Cu\n0.920631 0.979390 0.345572 F\n0.870812 0.263451 0.455649 F\n0.127639 0.735704 0.545218 F\n0.666118 0.494714 0.594751 F\n0.610147 0.111316 0.614593 F\n0.499646 0.888679 0.885310 F\n0.395512 0.256727 0.955479 F\n0.941937 0.016112 0.155684 F\n0.359007 0.318724 0.778963 F\n0.334658 0.503415 0.408099 F\n0.825879 0.246670 0.791603 F\n0.170746 0.503111 0.908445 F\n0.418628 0.244369 0.292158 F\n0.173618 0.751257 0.210563 F\n0.504068 0.113095 0.115165 F\n0.633946 0.679004 0.224783 F\n0.143448 0.837104 0.021483 F\n0.079340 0.020202 0.655792 F\n0.869337 0.168914 0.982288 F\n0.692101 0.832496 0.521982 F\n0.603311 0.739915 0.043902 F\n0.583360 0.753820 0.710060 F\n0.957913 0.317557 0.276981 F\n0.304620 0.165530 0.480127 F\n0.389540 0.888481 0.386740 F\n0.057545 0.979033 0.844630 F\n0.045920 0.681358 0.723860 F\n0.832255 0.499862 0.092630 F\n",
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{
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"structure_string": "Mg1 V4 P4 O20\n1.0\n4.922744 -0.003378 1.792524\n1.500723 9.528926 3.348553\n-0.047112 -0.016760 7.350080\nMg V P O\n1 4 4 20\ndirect\n0.000000 0.750000 0.750000 Mg\n0.036279 0.481241 0.017771 V\n0.000000 0.750000 0.250000 V\n0.500000 0.249999 0.750000 V\n0.963722 0.018759 0.482229 V\n0.599946 0.052504 0.186220 P\n0.400055 0.447497 0.313780 P\n0.352783 0.944323 0.813401 P\n0.647218 0.555678 0.686599 P\n0.290653 0.069627 0.289696 O\n0.242663 0.400058 0.211504 O\n0.035271 0.834394 0.425739 O\n0.271930 0.854966 0.031450 O\n0.285401 0.602218 0.320865 O\n0.296892 0.102788 0.802250 O\n0.358306 0.351730 0.529226 O\n0.197727 0.339287 0.906437 O\n0.757338 0.099942 0.288496 O\n0.180669 0.918335 0.695504 O\n0.709348 0.430373 0.210305 O\n0.336456 0.596900 0.780769 O\n0.802272 0.160713 0.593564 O\n0.641693 0.148270 0.970775 O\n0.819331 0.581666 0.804496 O\n0.714600 0.897781 0.179135 O\n0.728070 0.645035 0.468550 O\n0.964730 0.665605 0.074261 O\n0.663545 0.903099 0.719230 O\n0.703109 0.397212 0.697750 O\n",
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{
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"structure_string": "Ba6 Ti2 Nb8 O30\n1.0\n12.690561 0.000000 0.000000\n0.000000 12.690561 0.000000\n0.000000 0.000000 4.134403\nBa Ti Nb O\n6 2 8 30\ndirect\n0.836766 0.663234 0.979399 Ba\n0.163234 0.336766 0.979399 Ba\n0.000000 0.000000 0.986832 Ba\n0.336766 0.836766 0.979399 Ba\n0.663234 0.163234 0.979399 Ba\n0.500000 0.500000 0.986832 Ba\n0.500000 0.000000 0.451440 Ti\n0.000000 0.500000 0.451440 Ti\n0.716660 0.426595 0.468092 Nb\n0.573405 0.716660 0.468092 Nb\n0.783340 0.926595 0.468092 Nb\n0.283340 0.573405 0.468092 Nb\n0.926595 0.216660 0.468092 Nb\n0.216660 0.073405 0.468092 Nb\n0.073405 0.783340 0.468092 Nb\n0.426595 0.283340 0.468092 Nb\n0.075145 0.791413 0.014136 O\n0.568285 0.359617 0.513762 O\n0.431715 0.640383 0.513762 O\n0.924855 0.208587 0.014136 O\n0.424855 0.291413 0.014136 O\n0.500000 0.000000 0.029255 O\n0.000000 0.500000 0.029255 O\n0.506257 0.154664 0.514182 O\n0.781424 0.281424 0.511993 O\n0.359617 0.431715 0.513762 O\n0.208587 0.075145 0.014136 O\n0.718576 0.781424 0.511993 O\n0.575145 0.708587 0.014136 O\n0.654664 0.006257 0.514182 O\n0.291413 0.575145 0.014136 O\n0.640383 0.568285 0.513762 O\n0.140383 0.931715 0.513762 O\n0.845336 0.506257 0.514182 O\n0.708587 0.424855 0.014136 O\n0.859617 0.068285 0.513762 O\n0.345336 0.993743 0.514182 O\n0.993743 0.654664 0.514182 O\n0.068285 0.140383 0.513762 O\n0.154664 0.493743 0.514182 O\n0.791413 0.924855 0.014136 O\n0.931715 0.859617 0.513762 O\n0.006257 0.345336 0.514182 O\n0.493743 0.845336 0.514182 O\n0.218576 0.718576 0.511993 O\n0.281424 0.218576 0.511993 O\n",
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"formula_full": "Ba6 Ti2 Nb8 O30",
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{
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"structure_string": "Mn1 Re2 O10\n1.0\n0.191880 0.000000 -5.664239\n0.000000 -5.830872 0.000000\n-7.393401 2.915436 2.910752\nMn Re O\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.300681 0.634287 0.268574 Re\n0.699319 0.365713 0.731426 Re\n0.273120 0.813969 0.130565 O\n0.273120 0.316596 0.130565 O\n0.726880 0.186031 0.869435 O\n0.726880 0.683404 0.869435 O\n0.595145 0.726269 0.452538 O\n0.404855 0.273731 0.547462 O\n0.100783 0.907143 0.814286 O\n0.899217 0.092857 0.185714 O\n0.056805 0.673253 0.346506 O\n0.943195 0.326747 0.653494 O\n",
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{
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