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{
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{
"id": "mp-776824",
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"structure_string": "Li8 V16 O8 F40\n1.0\n10.394501 0.009138 0.025760\n5.176093 1.447697 -8.957239\n-5.176631 8.643183 4.545422\nLi V O F\n8 16 8 40\ndirect\n0.111246 0.116981 0.831445 Li\n0.149788 0.134996 0.427295 Li\n0.145442 0.627522 0.414501 Li\n0.609704 0.116414 0.830940 Li\n0.647576 0.130894 0.418282 Li\n0.612057 0.619351 0.834934 Li\n0.352243 0.857751 0.074302 Li\n0.653486 0.632349 0.425673 Li\n0.009891 0.492352 0.995345 V\n0.239829 0.261476 0.762595 V\n0.007905 0.991605 0.997370 V\n0.237355 0.752276 0.755030 V\n0.256362 0.260135 0.254705 V\n0.511134 0.485861 0.994820 V\n0.741936 0.255985 0.760624 V\n0.487352 0.494642 0.489122 V\n0.253152 0.757047 0.252542 V\n0.511927 0.992851 0.994281 V\n0.746441 0.753217 0.761989 V\n0.486720 0.993064 0.490352 V\n0.755845 0.258929 0.253606 V\n0.986923 0.493783 0.490479 V\n0.755330 0.756900 0.253202 V\n0.985474 0.994159 0.487853 V\n0.122811 0.316091 0.875859 O\n0.134874 0.832679 0.886831 O\n0.317225 0.431932 0.373889 O\n0.625648 0.314676 0.875572 O\n0.316768 0.930611 0.372640 O\n0.623457 0.818009 0.875298 O\n0.816414 0.431464 0.374156 O\n0.813551 0.932195 0.372772 O\n0.168102 0.073520 0.622906 F\n0.073072 0.365472 0.614919 F\n0.443470 0.129003 0.872333 F\n0.131572 0.298568 0.372299 F\n0.317965 0.440588 0.876285 F\n0.169864 0.572633 0.611350 F\n0.365177 0.178504 0.623447 F\n0.197748 0.061568 0.132074 F\n0.066286 0.377480 0.124368 F\n0.067660 0.882771 0.627336 F\n0.450184 0.119793 0.376323 F\n0.442577 0.634257 0.879714 F\n0.131651 0.799168 0.376994 F\n0.310558 0.944383 0.874563 F\n0.669006 0.071216 0.622519 F\n0.366406 0.679034 0.625534 F\n0.185815 0.573764 0.132192 F\n0.373073 0.173304 0.118139 F\n0.065204 0.879141 0.127389 F\n0.572406 0.376327 0.625556 F\n0.448762 0.622087 0.375634 F\n0.942829 0.131552 0.877880 F\n0.632559 0.299777 0.376160 F\n0.803979 0.448435 0.873152 F\n0.668588 0.571145 0.623315 F\n0.864582 0.178860 0.624061 F\n0.375894 0.688820 0.119822 F\n0.680651 0.073056 0.131927 F\n0.565008 0.375768 0.127952 F\n0.573340 0.877082 0.628199 F\n0.949949 0.119196 0.375155 F\n0.934877 0.627990 0.877289 F\n0.628969 0.799949 0.372810 F\n0.805072 0.948494 0.871648 F\n0.852930 0.680466 0.613628 F\n0.678471 0.574188 0.130253 F\n0.874663 0.176746 0.119847 F\n0.553154 0.873235 0.121547 F\n0.947497 0.621842 0.376187 F\n0.872264 0.676220 0.119994 F\n",
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"formula_full": "Li8 V16 O8 F40",
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"spacegroup": 1
},
{
"id": "mp-1211628",
"created_at": "2022-09-04T14:43:51.012064Z",
"structure_string": "K2 Er2 C4 O12\n1.0\n4.748977 4.263564 0.000000\n-4.748977 4.263564 0.000000\n0.000000 2.469605 6.470044\nK Er C O\n2 2 4 12\ndirect\n0.620268 0.379732 0.750000 K\n0.379732 0.620268 0.250000 K\n0.095902 0.904098 0.750000 Er\n0.904098 0.095902 0.250000 Er\n0.645290 0.890016 0.757135 C\n0.354710 0.109984 0.242865 C\n0.109984 0.354710 0.742865 C\n0.890016 0.645290 0.257135 C\n0.441966 0.895377 0.779408 O\n0.558034 0.104623 0.220592 O\n0.104623 0.558034 0.720592 O\n0.895377 0.441966 0.279408 O\n0.716559 0.749543 0.883453 O\n0.283441 0.250457 0.116547 O\n0.250457 0.283441 0.616547 O\n0.749543 0.716559 0.383453 O\n0.797769 0.033737 0.606583 O\n0.202231 0.966263 0.393417 O\n0.966263 0.202231 0.893417 O\n0.033737 0.797769 0.106583 O\n",
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{
"id": "mp-1208660",
"created_at": "2022-09-04T14:43:51.053060Z",
"structure_string": "Sm4 Cr4 Sb12\n1.0\n6.086664 0.000000 0.000000\n0.000000 6.231522 0.000000\n0.000000 0.000000 13.037691\nSm Cr Sb\n4 4 12\ndirect\n0.250000 0.504619 0.308430 Sm\n0.750000 0.495381 0.691570 Sm\n0.250000 0.004619 0.691570 Sm\n0.750000 0.995381 0.308430 Sm\n0.000000 0.750000 0.906000 Cr\n0.000000 0.250000 0.094000 Cr\n0.500000 0.250000 0.094000 Cr\n0.500000 0.750000 0.906000 Cr\n0.000000 0.750000 0.501473 Sb\n0.000000 0.250000 0.498527 Sb\n0.500000 0.250000 0.498527 Sb\n0.500000 0.750000 0.501473 Sb\n0.250000 0.601343 0.062871 Sb\n0.750000 0.398657 0.937129 Sb\n0.250000 0.101343 0.937129 Sb\n0.750000 0.898657 0.062871 Sb\n0.250000 0.998147 0.220768 Sb\n0.750000 0.001853 0.779232 Sb\n0.250000 0.498147 0.779232 Sb\n0.750000 0.501853 0.220768 Sb\n",
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"volume": 494.5089368407508,
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"formula_full": "Sm4 Cr4 Sb12",
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{
"id": "mp-760994",
"created_at": "2022-09-04T14:43:51.206407Z",
"structure_string": "Na6 Sb6 O18\n1.0\n8.105306 0.000000 0.000000\n-2.584075 7.744741 0.000000\n-2.728573 -3.798288 6.793411\nNa Sb O\n6 6 18\ndirect\n0.014087 0.982517 0.322082 Na\n0.500000 0.000000 0.000000 Na\n0.670640 0.651951 0.701799 Na\n0.329360 0.348049 0.298201 Na\n0.000000 0.500000 0.000000 Na\n0.985913 0.017483 0.677918 Na\n0.498699 0.840216 0.337168 Sb\n0.159288 0.663289 0.501131 Sb\n0.659807 0.496716 0.159524 Sb\n0.340193 0.503284 0.840476 Sb\n0.840712 0.336711 0.498869 Sb\n0.501301 0.159784 0.662832 Sb\n0.274395 0.956374 0.660916 O\n0.335465 0.719768 0.046128 O\n0.638190 0.991412 0.635487 O\n0.282613 0.622035 0.328406 O\n0.663166 0.705165 0.381256 O\n0.383814 0.672792 0.714083 O\n0.952117 0.665308 0.282151 O\n0.010148 0.362967 0.366447 O\n0.358715 0.363112 0.003445 O\n0.641285 0.636888 0.996555 O\n0.989852 0.637033 0.633553 O\n0.047883 0.334692 0.717849 O\n0.616186 0.327208 0.285917 O\n0.336834 0.294835 0.618744 O\n0.717387 0.377965 0.671594 O\n0.361810 0.008588 0.364513 O\n0.664535 0.280232 0.953872 O\n0.725605 0.043626 0.339084 O\n",
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"formula_full": "Na6 Sb6 O18",
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{
"id": "mp-556647",
"created_at": "2022-09-04T14:43:50.864868Z",
"structure_string": "Ba10 Re6 Cl2 O30\n1.0\n5.562307 -9.634198 0.000000\n5.562307 9.634198 0.000000\n0.000000 0.000000 7.937733\nBa Re Cl O\n10 6 2 30\ndirect\n0.264230 0.264230 0.226764 Ba\n0.000000 0.264230 0.726764 Ba\n0.735770 0.000000 0.226764 Ba\n0.000000 0.735770 0.226764 Ba\n0.333333 0.666667 0.486018 Ba\n0.666667 0.333333 0.486018 Ba\n0.735770 0.735770 0.726764 Ba\n0.264230 0.000000 0.726764 Ba\n0.333333 0.666667 0.986018 Ba\n0.666667 0.333333 0.986018 Ba\n0.391214 0.391214 0.781166 Re\n0.000000 0.391214 0.281166 Re\n0.000000 0.608786 0.781166 Re\n0.391214 0.000000 0.281166 Re\n0.608786 0.608786 0.281166 Re\n0.608786 0.000000 0.781166 Re\n0.000000 0.000000 0.942332 Cl\n0.000000 0.000000 0.442332 Cl\n0.130532 0.553262 0.741586 O\n0.389353 0.257691 0.921856 O\n0.868338 0.610647 0.921856 O\n0.131662 0.389353 0.421856 O\n0.703790 0.703790 0.103162 O\n0.422730 0.869468 0.741586 O\n0.130532 0.577270 0.241586 O\n0.446738 0.577270 0.741586 O\n0.869468 0.446738 0.241586 O\n0.389353 0.131662 0.421856 O\n0.000000 0.703790 0.603162 O\n0.610647 0.742309 0.421856 O\n0.742309 0.610647 0.421856 O\n0.742309 0.131662 0.921856 O\n0.703790 0.000000 0.603162 O\n0.296210 0.000000 0.103162 O\n0.553262 0.130532 0.741586 O\n0.422730 0.553262 0.241586 O\n0.869468 0.422730 0.741586 O\n0.446738 0.869468 0.241586 O\n0.296210 0.296210 0.603162 O\n0.577270 0.446738 0.741586 O\n0.000000 0.296210 0.103162 O\n0.553262 0.422730 0.241586 O\n0.577270 0.130532 0.241586 O\n0.868338 0.257691 0.421856 O\n0.131662 0.742309 0.921856 O\n0.610647 0.868338 0.921856 O\n0.257691 0.868338 0.421856 O\n0.257691 0.389353 0.921856 O\n",
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{
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"structure_string": "Pt1 C1 N2\n1.0\n5.072773 0.069691 0.043881\n3.906584 3.236738 0.043881\n3.906584 1.438504 2.899846\nPt C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n0.589056 0.589056 0.589056 N\n0.410944 0.410944 0.410944 N\n",
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{
"id": "mp-1224818",
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"structure_string": "Hf12 Ga15 Ni9\n1.0\n-0.008474 -0.020441 -6.372321\n-4.028151 5.666104 3.199022\n12.053188 5.619231 -3.154586\nHf Ga Ni\n12 15 9\ndirect\n0.457054 0.957895 0.488019 Hf\n0.970154 0.469731 0.983278 Hf\n0.497071 0.545384 0.009554 Hf\n0.987037 0.042364 0.513066 Hf\n0.229223 0.310562 0.267515 Hf\n0.725000 0.810432 0.774864 Hf\n0.678654 0.182507 0.228104 Hf\n0.191647 0.694276 0.735232 Hf\n0.691232 0.623767 0.373945 Hf\n0.194644 0.126834 0.877060 Hf\n0.942927 0.879065 0.124826 Hf\n0.441055 0.374581 0.628059 Hf\n0.154399 0.651312 0.369788 Ga\n0.646336 0.140767 0.872809 Ga\n0.365881 0.840702 0.121287 Ga\n0.877692 0.349986 0.631743 Ga\n0.673413 0.505801 0.168045 Ga\n0.169782 0.008162 0.672698 Ga\n0.834239 0.989776 0.329154 Ga\n0.340348 0.499862 0.832355 Ga\n0.409655 0.251271 0.416188 Ga\n0.923627 0.757662 0.917038 Ga\n0.071539 0.253768 0.083765 Ga\n0.573463 0.747225 0.585325 Ga\n0.440879 0.163514 0.058012 Ga\n0.952149 0.677666 0.564499 Ga\n0.840468 0.322375 0.436034 Ga\n0.329979 0.823537 0.935720 Ni\n0.202993 0.941079 0.302736 Ni\n0.703651 0.438420 0.808356 Ni\n0.063171 0.559329 0.194731 Ni\n0.565992 0.061823 0.692113 Ni\n0.500021 0.749699 0.248305 Ni\n0.001464 0.251505 0.754032 Ni\n0.739930 0.997679 0.001418 Ni\n0.237229 0.499681 0.500325 Ni\n",
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{
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"structure_string": "Ca4 Ni8 O16\n1.0\n3.028288 0.000000 0.000000\n0.000000 8.991117 0.000000\n0.000000 0.000000 10.565715\nCa Ni O\n4 8 16\ndirect\n0.250000 0.242618 0.339963 Ca\n0.750000 0.757382 0.660037 Ca\n0.250000 0.742618 0.160037 Ca\n0.750000 0.257382 0.839963 Ca\n0.750000 0.416414 0.099976 Ni\n0.250000 0.083586 0.599976 Ni\n0.750000 0.916414 0.400024 Ni\n0.250000 0.583586 0.900024 Ni\n0.250000 0.561346 0.387772 Ni\n0.750000 0.438654 0.612228 Ni\n0.250000 0.061346 0.112228 Ni\n0.750000 0.938654 0.887772 Ni\n0.750000 0.918797 0.074919 O\n0.250000 0.081203 0.925081 O\n0.750000 0.418797 0.425081 O\n0.250000 0.581203 0.574919 O\n0.750000 0.026562 0.713210 O\n0.250000 0.973438 0.286790 O\n0.750000 0.526562 0.786790 O\n0.250000 0.473438 0.213210 O\n0.750000 0.616231 0.023017 O\n0.250000 0.383769 0.976983 O\n0.750000 0.116231 0.476983 O\n0.250000 0.883769 0.523017 O\n0.250000 0.793239 0.840062 O\n0.750000 0.206761 0.159938 O\n0.750000 0.706761 0.340062 O\n0.250000 0.293239 0.659938 O\n",
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