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{
"id": "mp-26194",
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"structure_string": "Mo8 P12 O52\n1.0\n22.686882 0.000000 0.000000\n0.000000 6.466867 0.000000\n0.000000 5.228049 7.039660\nMo P O\n8 12 52\ndirect\n0.706307 0.259257 0.454741 Mo\n0.439249 0.452536 0.274113 Mo\n0.939249 0.547464 0.225887 Mo\n0.206307 0.740743 0.045259 Mo\n0.793693 0.259257 0.954741 Mo\n0.060751 0.452536 0.774113 Mo\n0.560751 0.547464 0.725887 Mo\n0.293693 0.740743 0.545259 Mo\n0.402046 0.018752 0.206310 P\n0.915814 0.472762 0.644152 P\n0.902046 0.981248 0.293690 P\n0.084186 0.527238 0.355848 P\n0.597954 0.981248 0.793690 P\n0.097954 0.018752 0.706310 P\n0.797445 0.641604 0.087147 P\n0.297445 0.358396 0.412853 P\n0.415814 0.527238 0.855848 P\n0.702555 0.641604 0.587147 P\n0.202555 0.358396 0.912853 P\n0.584186 0.472762 0.144152 P\n0.558314 0.877073 0.714272 O\n0.808003 0.572248 0.947213 O\n0.066864 0.812351 0.706645 O\n0.627564 0.323521 0.309767 O\n0.423292 0.627421 0.972898 O\n0.115331 0.243201 0.492243 O\n0.738962 0.501187 0.195814 O\n0.347082 0.447501 0.270323 O\n0.191997 0.427752 0.052787 O\n0.933136 0.187649 0.293355 O\n0.372436 0.676479 0.690233 O\n0.576708 0.372579 0.027102 O\n0.884669 0.756799 0.507757 O\n0.441686 0.122927 0.285728 O\n0.261038 0.498813 0.804186 O\n0.652918 0.552499 0.729677 O\n0.473543 0.482491 0.789846 O\n0.710928 0.936854 0.468206 O\n0.056317 0.280660 0.013999 O\n0.973543 0.517509 0.710154 O\n0.152918 0.447501 0.770323 O\n0.761038 0.501187 0.695814 O\n0.384669 0.243201 0.992243 O\n0.726794 0.194131 0.061418 O\n0.840794 0.070275 0.191707 O\n0.340794 0.929725 0.308293 O\n0.226794 0.805869 0.438582 O\n0.872436 0.323521 0.809767 O\n0.556317 0.719340 0.486001 O\n0.210928 0.063146 0.031794 O\n0.308003 0.427752 0.552787 O\n0.941686 0.877073 0.214272 O\n0.566864 0.187649 0.793355 O\n0.076708 0.627421 0.472898 O\n0.923292 0.372579 0.527102 O\n0.433136 0.812351 0.206645 O\n0.058314 0.122927 0.785728 O\n0.691997 0.572248 0.447213 O\n0.789072 0.936854 0.968206 O\n0.443683 0.280660 0.513999 O\n0.127564 0.676479 0.190233 O\n0.773206 0.194131 0.561418 O\n0.659206 0.070275 0.691707 O\n0.159206 0.929725 0.808293 O\n0.273206 0.805869 0.938582 O\n0.615331 0.756799 0.007757 O\n0.526457 0.517509 0.210154 O\n0.847082 0.552499 0.229677 O\n0.026457 0.482491 0.289846 O\n0.943683 0.719340 0.986001 O\n0.289072 0.063146 0.531794 O\n0.238962 0.498813 0.304186 O\n",
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"formula_full": "Mo8 P12 O52",
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{
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"formula_full": "Be2 Ni1 Pt1",
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{
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"structure_string": "Sm1 Lu1 Mg2\n1.0\n0.000000 3.784327 3.784327\n3.784327 0.000000 3.784327\n3.784327 3.784327 0.000000\nSm Lu Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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{
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"structure_string": "Rb1 Ca1 Fe4 As4\n1.0\n3.939081 0.000000 0.000000\n0.000000 3.939081 0.000000\n0.000000 0.000000 12.256376\nRb Ca Fe As\n1 1 4 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.779988 Fe\n0.000000 0.500000 0.779988 Fe\n0.500000 0.000000 0.220012 Fe\n0.000000 0.500000 0.220012 Fe\n0.000000 0.000000 0.678537 As\n0.000000 0.000000 0.321463 As\n0.500000 0.500000 0.876294 As\n0.500000 0.500000 0.123706 As\n",
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"volume": 190.17433158165042,
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"formula_full": "Rb1 Ca1 Fe4 As4",
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{
"id": "mp-1087511",
"created_at": "2022-09-04T14:47:57.170412Z",
"structure_string": "U2 Fe2 As4\n1.0\n3.980124 0.000000 0.000000\n0.000000 3.980124 0.000000\n0.000000 0.000000 8.823092\nU Fe As\n2 2 4\ndirect\n0.000000 0.500000 0.743668 U\n0.500000 0.000000 0.256332 U\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.345501 As\n0.500000 0.000000 0.654499 As\n",
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{
"id": "mp-782640",
"created_at": "2022-09-04T14:47:57.174765Z",
"structure_string": "K8 Li3 Cr4 O16\n1.0\n5.673150 0.000000 0.000000\n-0.029602 8.294368 0.000000\n-1.049474 -0.237722 11.071296\nK Li Cr O\n8 3 4 16\ndirect\n0.210977 0.005451 0.838727 K\n0.185740 0.737679 0.366527 K\n0.283334 0.524261 0.671455 K\n0.699855 0.764472 0.859437 K\n0.297708 0.236081 0.128017 K\n0.712429 0.498899 0.324864 K\n0.815512 0.247690 0.621367 K\n0.767058 0.988347 0.204369 K\n0.286744 0.472884 0.931658 Li\n0.213329 0.973204 0.569756 Li\n0.709564 0.528024 0.067143 Li\n0.202187 0.720186 0.066371 Cr\n0.301583 0.223615 0.435879 Cr\n0.710354 0.784327 0.558959 Cr\n0.790233 0.279452 0.935178 Cr\n0.062391 0.304404 0.877371 O\n0.169694 0.695203 0.909497 O\n0.136406 0.066898 0.384370 O\n0.176478 0.400201 0.403768 O\n0.338973 0.204318 0.586789 O\n0.439646 0.814446 0.620497 O\n0.310598 0.909822 0.096830 O\n0.609893 0.441994 0.891180 O\n0.386705 0.559406 0.111233 O\n0.682515 0.091355 0.901060 O\n0.559017 0.214116 0.377226 O\n0.667797 0.797373 0.403925 O\n0.797730 0.587634 0.586553 O\n0.914135 0.925971 0.623453 O\n0.821229 0.301534 0.092970 O\n0.935228 0.693846 0.127972 O\n",
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"volume": 520.9619791097336,
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"formula_full": "K8 Li3 Cr4 O16",
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{
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"structure_string": "Eu8 Co4 O16\n1.0\n7.150075 0.000000 0.000000\n0.000000 5.898780 0.000000\n0.000000 4.716051 9.469165\nEu Co O\n8 4 16\ndirect\n0.993087 0.488886 0.302263 Eu\n0.354923 0.201951 0.568555 Eu\n0.493087 0.511114 0.197737 Eu\n0.854923 0.798049 0.931445 Eu\n0.145077 0.201951 0.068555 Eu\n0.506913 0.488886 0.802263 Eu\n0.645077 0.798049 0.431445 Eu\n0.006913 0.511114 0.697737 Eu\n0.785186 0.146583 0.584443 Co\n0.285186 0.853417 0.915557 Co\n0.714814 0.146583 0.084443 Co\n0.214814 0.853417 0.415557 Co\n0.654921 0.376960 0.628673 O\n0.265889 0.200635 0.801732 O\n0.153479 0.783021 0.084459 O\n0.030133 0.239417 0.564377 O\n0.653479 0.216979 0.415541 O\n0.530133 0.760583 0.935623 O\n0.845079 0.376960 0.128673 O\n0.765889 0.799365 0.698268 O\n0.234111 0.200635 0.301732 O\n0.154921 0.623040 0.871327 O\n0.469867 0.239417 0.064377 O\n0.346521 0.783021 0.584459 O\n0.969867 0.760583 0.435623 O\n0.846521 0.216979 0.915541 O\n0.734111 0.799365 0.198268 O\n0.345079 0.623040 0.371327 O\n",
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{
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{
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"structure_string": "Tb4 Sn10 Rh6\n1.0\n2.232863 -13.258534 0.000000\n2.232863 13.258534 0.000000\n0.000000 0.000000 7.242140\nTb Sn Rh\n4 10 6\ndirect\n0.171655 0.828345 0.755668 Tb\n0.828345 0.171655 0.255668 Tb\n0.476469 0.523531 0.734438 Tb\n0.523531 0.476469 0.234438 Tb\n0.879655 0.120345 0.734265 Sn\n0.120345 0.879655 0.234265 Sn\n0.705395 0.294605 0.050441 Sn\n0.294605 0.705395 0.550441 Sn\n0.596911 0.403089 0.609643 Sn\n0.403089 0.596911 0.109643 Sn\n0.952428 0.047572 0.401873 Sn\n0.047572 0.952428 0.901873 Sn\n0.289998 0.710002 0.976377 Sn\n0.710002 0.289998 0.476377 Sn\n0.050087 0.949913 0.518405 Rh\n0.949913 0.050087 0.018405 Rh\n0.776680 0.223320 0.765585 Rh\n0.223320 0.776680 0.265585 Rh\n0.393608 0.606392 0.481304 Rh\n0.606392 0.393608 0.981304 Rh\n",
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{
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},
{
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"structure_string": "Cs4 Ti4 P8 O28\n1.0\n10.402974 0.000000 0.000000\n0.000000 7.874920 0.000000\n0.000000 2.184279 8.162182\nCs Ti P O\n4 4 8 28\ndirect\n0.302119 0.199274 0.453629 Cs\n0.802119 0.800726 0.046371 Cs\n0.697881 0.800726 0.546371 Cs\n0.197881 0.199274 0.953629 Cs\n0.897683 0.240409 0.242206 Ti\n0.397683 0.759591 0.257794 Ti\n0.102317 0.759591 0.757794 Ti\n0.602317 0.240409 0.742206 Ti\n0.628216 0.424810 0.318334 P\n0.128216 0.575190 0.181666 P\n0.371784 0.575190 0.681666 P\n0.871784 0.424810 0.818334 P\n0.596590 0.130000 0.169348 P\n0.096590 0.870000 0.330652 P\n0.403410 0.870000 0.830652 P\n0.903410 0.130000 0.669348 P\n0.567944 0.607165 0.272988 O\n0.067944 0.392835 0.227012 O\n0.432056 0.392835 0.727012 O\n0.932056 0.607165 0.772988 O\n0.770719 0.434295 0.270697 O\n0.270719 0.565705 0.229303 O\n0.229281 0.565705 0.729303 O\n0.729281 0.434295 0.770697 O\n0.604345 0.322714 0.496952 O\n0.104345 0.677286 0.003048 O\n0.395655 0.677286 0.503048 O\n0.895655 0.322714 0.996952 O\n0.552172 0.313922 0.207656 O\n0.052172 0.686078 0.292344 O\n0.447828 0.686078 0.792344 O\n0.947828 0.313922 0.707656 O\n0.496030 0.010382 0.736963 O\n0.996030 0.989618 0.763037 O\n0.503970 0.989618 0.263037 O\n0.003970 0.010382 0.236963 O\n0.764955 0.090844 0.731128 O\n0.264955 0.909156 0.768872 O\n0.235045 0.909156 0.268872 O\n0.735045 0.090844 0.231127 O\n0.586366 0.160997 0.983836 O\n0.086366 0.839003 0.516164 O\n0.413634 0.839003 0.016164 O\n0.913634 0.160997 0.483836 O\n",
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],
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"formula_full": "Cs4 Ti4 P8 O28",
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{
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"structure_string": "Li1 Cu2 Rh4 O8\n1.0\n5.471385 -0.256515 -2.987560\n-3.479835 5.172518 -0.297993\n-0.167435 0.248834 6.273076\nLi Cu Rh O\n1 2 4 8\ndirect\n0.130059 0.565029 0.065029 Li\n0.960110 0.980070 0.980053 Cu\n0.665646 0.832817 0.332825 Cu\n0.698131 0.349027 0.100181 Rh\n0.698107 0.349112 0.597924 Rh\n0.211829 0.357546 0.606015 Rh\n0.211795 0.854242 0.605774 Rh\n0.175070 0.587403 0.374998 O\n0.737950 0.155948 0.369063 O\n0.685559 0.122107 0.842749 O\n0.737953 0.582006 0.368894 O\n0.175056 0.587673 0.800076 O\n0.228161 0.113925 0.836282 O\n0.228158 0.114211 0.391877 O\n0.685583 0.563465 0.842845 O\n",
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"formula_full": "Li1 Cu2 Rh4 O8",
"formula_reduced": "LiCu2(RhO2)4",
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}
]
}