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{
"id": "mp-22194",
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"structure_string": "Nb2 Fe2 O8\n1.0\n5.592652 0.000000 0.000000\n0.000000 4.581627 0.000000\n0.000000 0.151781 5.022254\nNb Fe O\n2 2 8\ndirect\n0.180128 0.000000 0.250000 Nb\n0.819872 0.000000 0.750000 Nb\n0.644304 0.500000 0.250000 Fe\n0.355696 0.500000 0.750000 Fe\n0.612970 0.276331 0.925022 O\n0.612970 0.723669 0.574978 O\n0.387030 0.723669 0.074978 O\n0.387030 0.276331 0.425022 O\n0.116927 0.231197 0.915838 O\n0.116927 0.768803 0.584162 O\n0.883073 0.768803 0.084162 O\n0.883073 0.231197 0.415838 O\n",
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{
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"structure_string": "Ba6 U4 P8 O40\n1.0\n8.903929 0.000000 0.000000\n0.000000 9.635090 0.000000\n0.000000 1.388295 10.640110\nBa U P O\n6 4 8 40\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.170704 0.192865 0.416254 Ba\n0.670704 0.807135 0.083746 Ba\n0.829296 0.807135 0.583746 Ba\n0.329296 0.192865 0.916254 Ba\n0.216778 0.839537 0.187332 U\n0.716778 0.160463 0.312668 U\n0.783222 0.160463 0.812668 U\n0.283222 0.839537 0.687332 U\n0.965437 0.130316 0.116592 P\n0.465437 0.869684 0.383408 P\n0.034563 0.869684 0.883408 P\n0.534563 0.130316 0.616592 P\n0.334932 0.478259 0.164310 P\n0.834932 0.521741 0.335690 P\n0.665068 0.521741 0.835690 P\n0.165068 0.478259 0.664310 P\n0.336920 0.972953 0.339267 O\n0.836920 0.027047 0.160733 O\n0.663080 0.027047 0.660733 O\n0.163080 0.972953 0.839267 O\n0.437341 0.742160 0.310529 O\n0.937341 0.257840 0.189471 O\n0.562659 0.257840 0.689471 O\n0.062659 0.742160 0.810529 O\n0.035577 0.821074 0.027052 O\n0.535577 0.178926 0.472948 O\n0.964423 0.178926 0.972948 O\n0.464423 0.821074 0.527052 O\n0.123436 0.067978 0.151407 O\n0.623436 0.932022 0.348593 O\n0.876564 0.932022 0.848593 O\n0.376564 0.067978 0.651407 O\n0.230824 0.610054 0.147979 O\n0.730824 0.389946 0.352021 O\n0.769176 0.389946 0.852021 O\n0.269176 0.610054 0.647979 O\n0.498821 0.525262 0.130630 O\n0.998822 0.474738 0.369370 O\n0.501179 0.474738 0.869370 O\n0.001179 0.525262 0.630630 O\n0.270291 0.373261 0.083080 O\n0.770291 0.626739 0.416920 O\n0.729709 0.626739 0.916920 O\n0.229709 0.373261 0.583080 O\n0.344277 0.416019 0.303911 O\n0.844277 0.583981 0.196089 O\n0.655723 0.583981 0.696089 O\n0.155723 0.416019 0.803911 O\n0.364418 0.900240 0.071066 O\n0.864418 0.099760 0.428934 O\n0.635582 0.099760 0.928934 O\n0.135582 0.900240 0.571066 O\n0.076321 0.791478 0.307146 O\n0.576321 0.208522 0.192854 O\n0.923679 0.208522 0.692854 O\n0.423679 0.791478 0.807146 O\n",
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"formula_full": "Ba6 U4 P8 O40",
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"spacegroup": 14
},
{
"id": "mp-778158",
"created_at": "2022-09-04T14:40:41.946704Z",
"structure_string": "Li8 Mn3 Fe5 B8 O24\n1.0\n5.230976 0.000000 0.000000\n-2.605385 4.546115 0.000000\n-0.306944 -0.408836 20.855338\nLi Mn Fe B O\n8 3 5 8 24\ndirect\n0.677814 0.652780 0.333326 Li\n0.652056 0.675753 0.084753 Li\n0.678685 0.651713 0.833303 Li\n0.651167 0.675764 0.584072 Li\n0.350693 0.340064 0.208056 Li\n0.336856 0.346344 0.458154 Li\n0.352222 0.339680 0.708160 Li\n0.337089 0.345874 0.958514 Li\n0.671596 0.006273 0.441808 Mn\n0.668404 0.003537 0.942644 Mn\n0.002134 0.325750 0.816338 Mn\n0.315336 0.000828 0.067074 Fe\n0.314900 0.998106 0.566794 Fe\n0.003663 0.320670 0.316022 Fe\n0.011955 0.667164 0.191328 Fe\n0.004414 0.666838 0.690615 Fe\n0.995153 0.336991 0.064004 B\n0.996129 0.337308 0.563634 B\n0.667705 0.005331 0.187988 B\n0.668258 0.008278 0.687045 B\n0.337267 0.997271 0.312351 B\n0.340176 0.997499 0.812016 B\n0.005000 0.666575 0.437644 B\n0.003580 0.665874 0.938702 B\n0.929772 0.255750 0.207906 O\n0.932655 0.257856 0.706979 O\n0.740405 0.069186 0.049794 O\n0.975243 0.582019 0.082718 O\n0.741149 0.070558 0.549314 O\n0.975755 0.582686 0.582490 O\n0.417558 0.030793 0.173506 O\n0.730107 0.642318 0.430525 O\n0.419106 0.033132 0.672693 O\n0.728904 0.641143 0.931120 O\n0.654658 0.737368 0.181322 O\n0.655325 0.739835 0.680752 O\n0.358963 0.271843 0.305850 O\n0.369979 0.273427 0.805276 O\n0.270095 0.358608 0.057564 O\n0.584093 0.978968 0.331712 O\n0.270811 0.359152 0.557101 O\n0.578005 0.966666 0.833241 O\n0.038441 0.423977 0.421994 O\n0.037873 0.423480 0.923212 O\n0.246645 0.929564 0.459322 O\n0.244872 0.929425 0.960074 O\n0.069657 0.743238 0.298286 O\n0.068880 0.747946 0.796709 O\n",
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"elements": [
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"density": 3.2478704029925773,
"density_atomic": 0.09678339659656512,
"volume": 495.95283579563414,
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"formula_full": "Li8 Mn3 Fe5 B8 O24",
"formula_reduced": "Li8Mn3Fe5(BO3)8",
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"spacegroup": 1
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{
"id": "mp-1221411",
"created_at": "2022-09-04T14:43:06.049681Z",
"structure_string": "Na1 Fe2 O4\n1.0\n3.037975 0.000000 0.000000\n-0.132479 5.124842 0.000000\n-0.087346 -1.634180 5.628313\nNa Fe O\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.032821 0.281237 0.815433 O\n0.490818 0.757827 0.815241 O\n0.967179 0.718763 0.184567 O\n0.509182 0.242173 0.184759 O\n",
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"volume": 87.62800361362547,
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"formula_full": "Na1 Fe2 O4",
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"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:40:40.835248Z",
"structure_string": "Mg14 Bi1 C1\n1.0\n6.526543 -0.191408 0.000000\n-3.429035 5.939263 0.000000\n0.000000 0.000000 9.677803\nMg Bi C\n14 1 1\ndirect\n0.187824 0.343911 0.625000 Mg\n0.193721 0.846860 0.625000 Mg\n0.720896 0.383231 0.125000 Mg\n0.681115 0.320920 0.625000 Mg\n0.720896 0.837664 0.125000 Mg\n0.681115 0.860194 0.625000 Mg\n0.331822 0.189204 0.359091 Mg\n0.331822 0.189204 0.890909 Mg\n0.331822 0.642620 0.359091 Mg\n0.331822 0.642620 0.890909 Mg\n0.848803 0.174402 0.351430 Mg\n0.848803 0.174402 0.898570 Mg\n0.829515 0.664758 0.388542 Mg\n0.829515 0.664758 0.861458 Mg\n0.222000 0.861000 0.125000 Bi\n0.908504 0.204252 0.125000 C\n",
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"formula_full": "Mg14 Bi1 C1",
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{
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"structure_string": "Ag4 Pd4 O12\n1.0\n3.661857 -5.343272 0.000000\n3.661857 5.343272 0.000000\n0.000000 0.000000 6.838195\nAg Pd O\n4 4 12\ndirect\n0.992866 0.007134 0.250000 Ag\n0.380235 0.619765 0.750000 Ag\n0.619765 0.380235 0.250000 Ag\n0.007134 0.992866 0.750000 Ag\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.477024 0.164974 0.750000 O\n0.164974 0.477024 0.250000 O\n0.252753 0.310197 0.250000 O\n0.310197 0.252753 0.750000 O\n0.161072 0.838928 0.498349 O\n0.838928 0.161072 0.998349 O\n0.838928 0.161072 0.501651 O\n0.161072 0.838928 0.001651 O\n0.747247 0.689803 0.750000 O\n0.689803 0.747247 0.250000 O\n0.522976 0.835026 0.250000 O\n0.835026 0.522976 0.750000 O\n",
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{
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"structure_string": "Cu3 Sn4 Pb1 O12\n1.0\n-3.905240 3.905240 3.905240\n3.905240 -3.905240 3.905240\n3.905240 3.905240 -3.905240\nCu Sn Pb O\n3 4 1 12\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Pb\n0.686474 0.173366 0.859840 O\n0.313526 0.173366 0.486891 O\n0.859840 0.686474 0.173366 O\n0.513109 0.686474 0.826634 O\n0.173366 0.859840 0.686474 O\n0.140160 0.313526 0.826634 O\n0.686474 0.826634 0.513109 O\n0.173366 0.486891 0.313526 O\n0.826634 0.513109 0.686474 O\n0.313526 0.826634 0.140160 O\n0.486891 0.313526 0.173366 O\n0.826634 0.140160 0.313526 O\n",
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{
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"structure_string": "Rb4 C1 O4\n1.0\n4.108765 -4.093444 0.000000\n4.108765 4.093444 0.000000\n0.030585 0.000000 5.799767\nRb C O\n4 1 4\ndirect\n0.480682 0.480682 0.480682 Rb\n0.914507 0.478694 0.940237 Rb\n0.940237 0.914507 0.478694 Rb\n0.478694 0.940237 0.914507 Rb\n0.205352 0.205352 0.205352 C\n0.344172 0.354541 0.060631 O\n0.060631 0.344172 0.354541 O\n0.354541 0.060631 0.344172 O\n0.061586 0.061586 0.061586 O\n",
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