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{
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{
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{
"id": "mp-1035480",
"created_at": "2022-09-04T14:47:19.172508Z",
"structure_string": "Mg14 Fe1 C1 O16\n1.0\n8.537838 0.000000 0.000000\n0.000000 8.492810 0.000000\n0.000000 0.000000 4.248339\nMg Fe C O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.253285 0.500000 Mg\n0.000000 0.746715 0.500000 Mg\n0.500000 0.250328 0.500000 Mg\n0.500000 0.749672 0.500000 Mg\n0.249343 0.000000 0.500000 Mg\n0.246507 0.500000 0.500000 Mg\n0.750657 0.000000 0.500000 Mg\n0.753493 0.500000 0.500000 Mg\n0.248794 0.251960 0.000000 Mg\n0.248794 0.748040 0.000000 Mg\n0.751206 0.251960 0.000000 Mg\n0.751206 0.748040 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 C\n0.256044 0.000000 0.000000 O\n0.250495 0.500000 0.000000 O\n0.743956 0.000000 0.000000 O\n0.749505 0.500000 0.000000 O\n0.248225 0.251049 0.500000 O\n0.248225 0.748951 0.500000 O\n0.751775 0.251049 0.500000 O\n0.751775 0.748951 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.249400 0.000000 O\n0.000000 0.750600 0.000000 O\n0.500000 0.251935 0.000000 O\n0.500000 0.748065 0.000000 O\n",
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"spacegroup": 47
},
{
"id": "mp-27553",
"created_at": "2022-09-04T14:47:19.178348Z",
"structure_string": "Ta4 Sn2 O14\n1.0\n2.478357 8.365794 0.000000\n-2.478357 8.365794 0.000000\n0.000000 0.593121 5.179893\nTa Sn O\n4 2 14\ndirect\n0.390797 0.934956 0.196790 Ta\n0.065044 0.609203 0.303210 Ta\n0.934956 0.390797 0.696790 Ta\n0.609203 0.065044 0.803210 Ta\n0.227177 0.772823 0.750000 Sn\n0.772823 0.227177 0.250000 Sn\n0.685850 0.866139 0.162786 O\n0.133861 0.314150 0.337214 O\n0.314150 0.133861 0.837214 O\n0.866139 0.685850 0.662786 O\n0.313334 0.401981 0.010160 O\n0.598019 0.686666 0.489840 O\n0.380735 0.619265 0.250000 O\n0.619265 0.380735 0.750000 O\n0.930710 0.907314 0.524710 O\n0.092686 0.069290 0.975290 O\n0.069290 0.092686 0.475290 O\n0.907314 0.930710 0.024710 O\n0.401981 0.313334 0.510160 O\n0.686666 0.598019 0.989840 O\n",
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"elements": [
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],
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"density": 9.162628270428918,
"density_atomic": 0.09311254124127998,
"volume": 214.79383693518307,
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"formula_full": "Ta4 Sn2 O14",
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"energy": -180.3599268,
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"updated_at": "2021-11-28T01:37:59.634000Z",
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},
{
"id": "mp-1217216",
"created_at": "2022-09-04T14:47:19.201603Z",
"structure_string": "Zn28 Cd8 P24 O96\n1.0\n0.000265 -0.006473 5.997591\n27.274817 -0.138885 1.821019\n-0.058519 11.595259 -0.012248\nZn Cd P O\n28 8 24 96\ndirect\n0.495859 0.124162 0.303193 Zn\n0.166125 0.457294 0.302376 Zn\n0.833208 0.790924 0.302171 Zn\n0.668361 0.209259 0.805681 Zn\n0.334354 0.542970 0.805894 Zn\n0.004304 0.876021 0.803679 Zn\n0.168340 0.209762 0.697304 Zn\n0.834753 0.543463 0.697466 Zn\n0.501138 0.876996 0.696419 Zn\n0.997324 0.122551 0.196063 Zn\n0.669473 0.456459 0.193475 Zn\n0.336550 0.790295 0.192999 Zn\n0.591865 0.227992 0.448212 Zn\n0.258728 0.562062 0.446749 Zn\n0.925901 0.896133 0.448656 Zn\n0.573644 0.103811 0.949692 Zn\n0.241010 0.436874 0.949021 Zn\n0.907417 0.770275 0.948814 Zn\n0.074643 0.099999 0.553065 Zn\n0.740769 0.435648 0.547886 Zn\n0.407949 0.768902 0.547720 Zn\n0.092488 0.231415 0.058509 Zn\n0.758119 0.565226 0.058511 Zn\n0.424860 0.900946 0.052589 Zn\n0.547402 0.312629 0.116994 Zn\n0.213896 0.646007 0.117062 Zn\n0.878384 0.979392 0.117165 Zn\n0.624275 0.019492 0.617458 Zn\n0.326872 0.351094 0.621983 Cd\n0.993543 0.684450 0.621970 Cd\n0.151232 0.018543 0.880045 Cd\n0.823954 0.351715 0.880131 Cd\n0.490335 0.685263 0.880257 Cd\n0.009698 0.314797 0.376891 Cd\n0.676361 0.648439 0.376849 Cd\n0.348240 0.981476 0.379132 Cd\n0.859501 0.035195 0.362700 P\n0.525427 0.369173 0.356621 P\n0.192066 0.702686 0.356248 P\n0.301740 0.297009 0.870796 P\n0.968111 0.630690 0.870962 P\n0.639928 0.965065 0.862872 P\n0.804486 0.296438 0.635735 P\n0.471189 0.629922 0.635758 P\n0.138379 0.964958 0.636172 P\n0.361375 0.035201 0.135981 P\n0.030642 0.368388 0.135602 P\n0.697290 0.701878 0.135573 P\n0.604085 0.203204 0.092746 P\n0.269717 0.536843 0.092251 P\n0.936567 0.870750 0.090573 P\n0.562748 0.129585 0.591662 P\n0.227779 0.464399 0.590092 P\n0.895040 0.797613 0.589262 P\n0.061578 0.131629 0.910435 P\n0.728314 0.465187 0.909748 P\n0.394696 0.798898 0.909862 P\n0.104359 0.201415 0.410939 P\n0.771168 0.535307 0.409569 P\n0.437755 0.868759 0.409623 P\n0.576968 0.152216 0.467467 O\n0.245181 0.486392 0.465371 O\n0.912205 0.819862 0.464850 O\n0.588471 0.180935 0.967070 O\n0.254651 0.514358 0.966650 O\n0.922406 0.847519 0.966048 O\n0.086952 0.179011 0.535379 O\n0.752777 0.513213 0.534336 O\n0.419407 0.846481 0.534267 O\n0.079464 0.153947 0.036168 O\n0.745950 0.487460 0.035641 O\n0.412318 0.821605 0.035244 O\n0.659099 0.026615 0.443161 O\n0.315470 0.360997 0.428953 O\n0.982267 0.694500 0.428660 O\n0.510323 0.304904 0.946729 O\n0.176728 0.638513 0.946845 O\n0.841134 0.973765 0.943281 O\n0.021150 0.304489 0.568474 O\n0.687958 0.637885 0.568503 O\n0.359850 0.973992 0.571306 O\n0.138851 0.026052 0.071536 O\n0.808061 0.359877 0.070355 O\n0.474634 0.693383 0.070439 O\n0.282146 0.239631 0.405440 O\n0.948810 0.573457 0.404319 O\n0.615592 0.906871 0.405048 O\n0.883093 0.093565 0.904547 O\n0.550781 0.426813 0.903592 O\n0.217525 0.760417 0.903864 O\n0.386634 0.090591 0.596604 O\n0.050348 0.425997 0.594813 O\n0.717512 0.759194 0.594045 O\n0.780415 0.242150 0.099997 O\n0.446151 0.575768 0.099371 O\n0.113288 0.909806 0.096353 O\n0.384637 0.231935 0.129006 O\n0.050536 0.565744 0.128151 O\n0.717027 0.900402 0.124246 O\n0.783494 0.100875 0.625633 O\n0.451076 0.436457 0.624784 O\n0.118175 0.769553 0.624051 O\n0.282785 0.103150 0.874121 O\n0.950081 0.437055 0.873409 O\n0.616339 0.770724 0.873414 O\n0.882450 0.229616 0.374711 O\n0.549405 0.563392 0.373163 O\n0.216515 0.897008 0.373558 O\n0.663971 0.159917 0.176294 O\n0.329421 0.493810 0.176023 O\n0.994610 0.828384 0.176489 O\n0.502644 0.172649 0.677992 O\n0.168538 0.507484 0.676282 O\n0.836223 0.840525 0.675575 O\n0.003350 0.174354 0.825017 O\n0.669141 0.507975 0.824943 O\n0.335371 0.841631 0.824634 O\n0.163384 0.158668 0.324079 O\n0.830704 0.492117 0.323878 O\n0.497329 0.825649 0.323657 O\n0.788785 0.080689 0.285870 O\n0.463238 0.414720 0.279085 O\n0.130383 0.748294 0.278580 O\n0.374839 0.254158 0.784099 O\n0.041118 0.587862 0.784317 O\n0.710895 0.919309 0.785159 O\n0.869143 0.253465 0.720826 O\n0.535719 0.586969 0.720891 O\n0.204287 0.921048 0.719260 O\n0.294702 0.079300 0.220207 O\n0.964760 0.412199 0.220888 O\n0.631739 0.745745 0.220817 O\n0.069230 0.046692 0.434986 O\n0.727046 0.380162 0.435879 O\n0.393850 0.713537 0.435524 O\n0.097993 0.282822 0.941808 O\n0.764071 0.616497 0.941704 O\n0.430815 0.953683 0.934793 O\n0.608170 0.282870 0.557098 O\n0.274954 0.616390 0.557031 O\n0.947296 0.950976 0.555593 O\n0.550597 0.049447 0.055668 O\n0.220146 0.382772 0.055672 O\n0.886765 0.716237 0.055564 O\n0.604442 0.323907 0.281940 O\n0.270821 0.657324 0.281841 O\n0.928058 0.990281 0.285009 O\n0.571884 0.009644 0.785819 O\n0.220396 0.343623 0.803693 O\n0.886961 0.677312 0.803840 O\n0.047113 0.011385 0.701879 O\n0.712744 0.343262 0.701706 O\n0.379503 0.676723 0.701774 O\n0.120715 0.321943 0.199324 O\n0.787261 0.655409 0.199203 O\n0.452469 0.989113 0.200954 O\n",
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{
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"structure_string": "Li4 V20 F44\n1.0\n14.444471 0.000000 0.000000\n0.000000 8.227601 0.000000\n0.000000 6.836932 8.423124\nLi V F\n4 20 44\ndirect\n0.935930 0.258322 0.610570 Li\n0.435930 0.741678 0.889430 Li\n0.564070 0.258322 0.110570 Li\n0.064070 0.741678 0.389430 Li\n0.828006 0.727520 0.547879 V\n0.324672 0.505794 0.573609 V\n0.175214 0.762179 0.695523 V\n0.504255 0.536191 0.728009 V\n0.663148 0.983762 0.660257 V\n0.004255 0.463809 0.771991 V\n0.675214 0.237821 0.804477 V\n0.824672 0.494206 0.926391 V\n0.163148 0.016238 0.839743 V\n0.328006 0.272480 0.952121 V\n0.671994 0.727520 0.047879 V\n0.836852 0.983762 0.160257 V\n0.175328 0.505794 0.073609 V\n0.324786 0.762179 0.195523 V\n0.995745 0.536191 0.228009 V\n0.336852 0.016238 0.339743 V\n0.495745 0.463809 0.271991 V\n0.824786 0.237821 0.304477 V\n0.675328 0.494206 0.426391 V\n0.171994 0.272480 0.452121 V\n0.409630 0.744206 0.533984 F\n0.083335 0.711023 0.572764 F\n0.252633 0.019286 0.500422 F\n0.598705 0.481353 0.601770 F\n0.917200 0.487922 0.603034 F\n0.558812 0.781526 0.709926 F\n0.241191 0.256998 0.631786 F\n0.908687 0.700339 0.725537 F\n0.747065 0.228983 0.632600 F\n0.253467 0.510510 0.743150 F\n0.753467 0.489490 0.756850 F\n0.101169 0.015799 0.659244 F\n0.408687 0.299661 0.774463 F\n0.058812 0.218474 0.790074 F\n0.417200 0.512078 0.896966 F\n0.098705 0.518647 0.898230 F\n0.601169 0.984201 0.840756 F\n0.583335 0.288977 0.927236 F\n0.909630 0.255794 0.966016 F\n0.247065 0.771017 0.867400 F\n0.741191 0.743002 0.868214 F\n0.752633 0.980714 0.999578 F\n0.247367 0.019286 0.000422 F\n0.258809 0.256998 0.131786 F\n0.752935 0.228983 0.132600 F\n0.090370 0.744206 0.033984 F\n0.416665 0.711023 0.072764 F\n0.398831 0.015799 0.159244 F\n0.901295 0.481353 0.101770 F\n0.582800 0.487922 0.103034 F\n0.941188 0.781526 0.209926 F\n0.591313 0.700339 0.225537 F\n0.898831 0.984201 0.340756 F\n0.246533 0.510510 0.243150 F\n0.746533 0.489490 0.256850 F\n0.252935 0.771017 0.367400 F\n0.091313 0.299661 0.274463 F\n0.758809 0.743002 0.368214 F\n0.441188 0.218474 0.290074 F\n0.082800 0.512078 0.396966 F\n0.401295 0.518647 0.398230 F\n0.747367 0.980714 0.499578 F\n0.916665 0.288977 0.427236 F\n0.590370 0.255794 0.466016 F\n",
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{
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"updated_at": "2021-11-28T01:38:04.216000Z",
"spacegroup": 14
}
]
}