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{
"id": "mp-559113",
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"structure_string": "Sc2 H48 C6 S6 N18 O30\n1.0\n6.515911 -9.793787 0.000000\n6.515911 9.793787 0.000000\n-8.204713 0.000000 8.429593\nSc H C S N O\n2 48 6 6 18 30\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.000636 0.770416 0.404677 H\n0.345641 0.205700 0.564546 H\n0.016191 0.669482 0.052056 H\n0.435454 0.654359 0.794300 H\n0.253474 0.172238 0.648275 H\n0.185798 0.840529 0.187707 H\n0.335706 0.463757 0.951004 H\n0.351725 0.746526 0.827762 H\n0.664294 0.536243 0.048996 H\n0.052056 0.016191 0.669482 H\n0.983809 0.330518 0.947944 H\n0.123250 0.563424 0.494758 H\n0.205700 0.564546 0.345641 H\n0.999364 0.229584 0.595323 H\n0.648275 0.253474 0.172238 H\n0.840529 0.187707 0.185798 H\n0.933963 0.232139 0.707501 H\n0.463757 0.951004 0.335706 H\n0.794300 0.435454 0.654359 H\n0.048996 0.664294 0.536243 H\n0.232139 0.707501 0.933963 H\n0.947944 0.983809 0.330518 H\n0.669482 0.052056 0.016191 H\n0.563424 0.494758 0.123250 H\n0.292499 0.066037 0.767861 H\n0.767861 0.292499 0.066037 H\n0.812293 0.814202 0.159471 H\n0.066037 0.767861 0.292499 H\n0.505242 0.876750 0.436576 H\n0.876750 0.436576 0.505242 H\n0.159471 0.812293 0.814202 H\n0.330518 0.947944 0.983809 H\n0.436576 0.505242 0.876750 H\n0.187707 0.185798 0.840529 H\n0.951004 0.335706 0.463757 H\n0.564546 0.345641 0.205700 H\n0.770416 0.404677 0.000636 H\n0.172238 0.648275 0.253474 H\n0.746526 0.827762 0.351725 H\n0.827762 0.351725 0.746526 H\n0.654359 0.794300 0.435454 H\n0.229584 0.595323 0.999364 H\n0.707501 0.933963 0.232139 H\n0.536243 0.048996 0.664294 H\n0.494758 0.123250 0.563424 H\n0.814202 0.159471 0.812293 H\n0.595323 0.999364 0.229584 H\n0.404677 0.000636 0.770416 H\n0.396322 0.110952 0.671487 C\n0.889048 0.328513 0.603678 C\n0.603678 0.889048 0.328513 C\n0.328513 0.603678 0.889048 C\n0.671487 0.396322 0.110952 C\n0.110952 0.671487 0.396322 C\n0.123355 0.254727 0.379992 S\n0.745273 0.620008 0.876645 S\n0.254727 0.379992 0.123355 S\n0.876645 0.745273 0.620008 S\n0.620008 0.876645 0.745273 S\n0.379992 0.123355 0.254727 S\n0.665729 0.823472 0.367640 N\n0.632360 0.334271 0.176528 N\n0.751246 0.370303 0.062885 N\n0.367640 0.665729 0.823472 N\n0.062885 0.751246 0.370303 N\n0.488127 0.098698 0.635691 N\n0.334271 0.176528 0.632360 N\n0.176528 0.632360 0.334271 N\n0.511873 0.901302 0.364309 N\n0.635691 0.488127 0.098698 N\n0.098698 0.635691 0.488127 N\n0.629697 0.937115 0.248754 N\n0.901302 0.364309 0.511873 N\n0.364309 0.511873 0.901302 N\n0.823472 0.367640 0.665729 N\n0.370303 0.062885 0.751246 N\n0.248754 0.629697 0.937115 N\n0.937115 0.248754 0.629697 N\n0.955529 0.886835 0.781953 O\n0.218047 0.044471 0.113165 O\n0.113165 0.218047 0.044471 O\n0.919844 0.802069 0.540179 O\n0.140126 0.128292 0.728126 O\n0.473264 0.300328 0.353456 O\n0.802069 0.540179 0.919844 O\n0.651769 0.635043 0.928274 O\n0.271874 0.859874 0.871708 O\n0.364957 0.071726 0.348231 O\n0.128292 0.728126 0.140126 O\n0.781953 0.955529 0.886835 O\n0.071726 0.348231 0.364957 O\n0.859874 0.871708 0.271874 O\n0.526736 0.699672 0.646544 O\n0.540179 0.919844 0.802069 O\n0.646544 0.526736 0.699672 O\n0.348231 0.364957 0.071726 O\n0.635043 0.928274 0.651769 O\n0.044471 0.113165 0.218047 O\n0.886835 0.781953 0.955529 O\n0.871708 0.271874 0.859874 O\n0.300328 0.353456 0.473264 O\n0.080156 0.197931 0.459821 O\n0.728126 0.140126 0.128292 O\n0.353456 0.473264 0.300328 O\n0.699672 0.646544 0.526736 O\n0.459821 0.080156 0.197931 O\n0.928274 0.651769 0.635043 O\n0.197931 0.459821 0.080156 O\n",
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"formula_full": "Sc2 H48 C6 S6 N18 O30",
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{
"id": "mp-1043626",
"created_at": "2022-09-04T14:39:19.055465Z",
"structure_string": "Ca4 Nb4 Sb2 O16\n1.0\n5.498513 0.000000 0.000000\n0.191432 6.923398 0.000000\n0.281497 3.296320 9.734900\nCa Nb Sb O\n4 4 2 16\ndirect\n0.250829 0.446836 0.419250 Ca\n0.241305 0.858530 0.575223 Ca\n0.749171 0.553164 0.580750 Ca\n0.758695 0.141470 0.424777 Ca\n0.257869 0.256810 0.757152 Nb\n0.262857 0.001852 0.246583 Nb\n0.742131 0.743190 0.242848 Nb\n0.737143 0.998148 0.753417 Nb\n0.227638 0.688988 0.995221 Sb\n0.772362 0.311012 0.004779 Sb\n0.900864 0.200421 0.853568 O\n0.606168 0.055549 0.139257 O\n0.099136 0.799579 0.146432 O\n0.393832 0.944451 0.860743 O\n0.416462 0.379266 0.863539 O\n0.078808 0.221147 0.123376 O\n0.583538 0.620734 0.136461 O\n0.921192 0.778853 0.876624 O\n0.523939 0.255842 0.614238 O\n0.975898 0.885791 0.374590 O\n0.643318 0.851652 0.630574 O\n0.849273 0.479295 0.377919 O\n0.356682 0.148348 0.369426 O\n0.150727 0.520705 0.622081 O\n0.024102 0.114209 0.625410 O\n0.476061 0.744158 0.385762 O\n",
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"formula_full": "Ca4 Nb4 Sb2 O16",
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{
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"created_at": "2022-09-04T14:39:41.852874Z",
"structure_string": "Co8 As8 O20\n1.0\n6.324060 0.000000 0.000000\n1.779553 9.280617 0.000000\n1.325158 3.705753 8.639644\nCo As O\n8 8 20\ndirect\n0.325198 0.264882 0.455632 Co\n0.145621 0.938899 0.629287 Co\n0.599303 0.410854 0.155762 Co\n0.902773 0.608764 0.847801 Co\n0.097227 0.391236 0.152199 Co\n0.400697 0.589146 0.844238 Co\n0.854379 0.061101 0.370713 Co\n0.674802 0.735118 0.544368 Co\n0.786924 0.390424 0.486058 As\n0.261274 0.281078 0.833861 As\n0.385529 0.032889 0.255718 As\n0.738726 0.718922 0.166139 As\n0.213076 0.609576 0.513942 As\n0.769365 0.225584 0.990249 As\n0.614471 0.967111 0.744282 As\n0.230635 0.774416 0.009751 As\n0.829562 0.030287 0.592597 O\n0.404895 0.641931 0.618356 O\n0.970790 0.659449 0.615566 O\n0.760606 0.609457 0.377172 O\n0.824091 0.568948 0.091417 O\n0.625840 0.943098 0.364454 O\n0.374160 0.056902 0.635546 O\n0.876571 0.234413 0.157936 O\n0.029210 0.340551 0.384434 O\n0.123429 0.765587 0.842064 O\n0.170438 0.969713 0.407403 O\n0.010023 0.198992 0.872224 O\n0.685320 0.438771 0.910634 O\n0.378589 0.231510 0.242092 O\n0.175909 0.431052 0.908583 O\n0.595105 0.358069 0.381644 O\n0.621411 0.768490 0.757908 O\n0.314680 0.561229 0.089366 O\n0.239394 0.390543 0.622828 O\n0.989977 0.801008 0.127776 O\n",
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"formula_full": "Co8 As8 O20",
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{
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"structure_string": "Mg14 Nb1 Si1 O16\n1.0\n8.667429 0.000000 0.000000\n0.000000 8.648289 0.000000\n0.000000 0.000000 4.302818\nMg Nb Si O\n14 1 1 16\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.248333 0.500000 Mg\n-0.000000 0.751667 0.500000 Mg\n0.500000 0.249679 0.500000 Mg\n0.500000 0.750321 0.500000 Mg\n0.253730 0.000000 0.500000 Mg\n0.253997 0.500000 0.500000 Mg\n0.746270 0.000000 0.500000 Mg\n0.746003 0.500000 0.500000 Mg\n0.253939 0.248607 -0.000000 Mg\n0.253939 0.751393 -0.000000 Mg\n0.746061 0.248607 0.000000 Mg\n0.746061 0.751393 0.000000 Mg\n-0.000000 0.500000 -0.000000 Nb\n-0.000000 0.000000 -0.000000 Si\n0.265053 0.000000 -0.000000 O\n0.262379 0.500000 -0.000000 O\n0.734947 0.000000 0.000000 O\n0.737621 0.500000 -0.000000 O\n0.248990 0.249896 0.500000 O\n0.248990 0.750104 0.500000 O\n0.751010 0.249896 0.500000 O\n0.751010 0.750104 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.241929 -0.000000 O\n-0.000000 0.758071 0.000000 O\n0.500000 0.251009 0.000000 O\n0.500000 0.748991 -0.000000 O\n",
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{
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{
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{
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{
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"structure_string": "Cd1 Si1 P2\n1.0\n0.000000 3.262144 3.262144\n3.262144 0.000000 3.262144\n3.262144 3.262144 0.000000\nCd Si P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Si\n0.750000 0.750000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
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]
}