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{
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{
"id": "mp-998965",
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"structure_string": "Ti1 In1 Fe2\n1.0\n3.042755 3.042755 0.000000\n3.042755 0.000000 -3.042755\n0.000000 3.042755 -3.042755\nTi In Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
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{
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"structure_string": "Ba4 Li8 Ti24 O56\n1.0\n5.704500 -8.374883 0.000000\n5.704500 8.374883 0.000000\n0.000000 0.000000 11.679743\nBa Li Ti O\n4 8 24 56\ndirect\n0.854948 0.854948 0.379323 Ba\n0.354948 0.354948 0.120677 Ba\n0.645052 0.645052 0.879323 Ba\n0.145052 0.145052 0.620677 Ba\n0.055647 0.434454 0.121080 Li\n0.555647 0.934454 0.378920 Li\n0.065546 0.444353 0.621080 Li\n0.934454 0.555647 0.378920 Li\n0.565546 0.944353 0.878920 Li\n0.944353 0.565546 0.878920 Li\n0.444353 0.065546 0.621080 Li\n0.434454 0.055647 0.121080 Li\n0.737479 0.262521 0.000000 Ti\n0.240524 0.019345 0.356965 Ti\n0.743490 0.243490 0.250000 Ti\n0.759476 0.980655 0.643035 Ti\n0.506329 0.724502 0.613614 Ti\n0.256510 0.756510 0.750000 Ti\n0.480655 0.259476 0.856965 Ti\n0.756510 0.256510 0.750000 Ti\n0.519345 0.740524 0.143035 Ti\n0.775498 0.993671 0.113614 Ti\n0.762521 0.237479 0.500000 Ti\n0.259476 0.480655 0.856965 Ti\n0.993671 0.775498 0.113614 Ti\n0.275498 0.493671 0.386386 Ti\n0.493671 0.275498 0.386386 Ti\n0.980655 0.759476 0.643035 Ti\n0.224502 0.006329 0.886386 Ti\n0.237479 0.762521 0.500000 Ti\n0.019345 0.240524 0.356965 Ti\n0.724502 0.506329 0.613614 Ti\n0.006329 0.224502 0.886386 Ti\n0.243490 0.743490 0.250000 Ti\n0.740524 0.519345 0.143035 Ti\n0.262521 0.737479 0.000000 Ti\n0.878833 0.347182 0.372190 O\n0.596145 0.596145 0.126566 O\n0.367173 0.632827 0.500000 O\n0.621167 0.152818 0.872190 O\n0.858762 0.631613 0.740162 O\n0.137018 0.363797 0.979994 O\n0.369609 0.633925 0.748719 O\n0.124366 0.647618 0.121973 O\n0.595787 0.595787 0.630025 O\n0.852382 0.375634 0.621973 O\n0.904213 0.904213 0.130025 O\n0.362982 0.136203 0.479994 O\n0.869609 0.133925 0.751281 O\n0.130391 0.866075 0.248719 O\n0.366075 0.630391 0.251281 O\n0.632827 0.367173 0.500000 O\n0.368387 0.141238 0.259838 O\n0.868387 0.641238 0.240162 O\n0.636203 0.862982 0.020006 O\n0.127801 0.872199 0.500000 O\n0.647618 0.124366 0.121973 O\n0.372199 0.627801 0.000000 O\n0.121167 0.652818 0.627810 O\n0.152818 0.621167 0.872190 O\n0.131613 0.358762 0.759838 O\n0.637018 0.863797 0.520006 O\n0.378833 0.847182 0.127810 O\n0.862982 0.636203 0.020006 O\n0.847182 0.378833 0.127810 O\n0.133925 0.869609 0.751281 O\n0.132827 0.867173 0.000000 O\n0.404213 0.404213 0.369975 O\n0.095787 0.095787 0.869975 O\n0.363797 0.137018 0.979994 O\n0.352382 0.875634 0.878027 O\n0.624366 0.147618 0.378027 O\n0.631613 0.858762 0.740162 O\n0.633925 0.369609 0.748719 O\n0.652818 0.121167 0.627810 O\n0.875634 0.352382 0.878027 O\n0.872199 0.127801 0.500000 O\n0.627801 0.372199 0.000000 O\n0.136203 0.362982 0.479994 O\n0.375634 0.852382 0.621973 O\n0.641238 0.868387 0.240162 O\n0.403855 0.403855 0.873434 O\n0.096145 0.096145 0.373434 O\n0.867173 0.132827 0.000000 O\n0.630391 0.366075 0.251281 O\n0.903855 0.903855 0.626566 O\n0.141238 0.368387 0.259838 O\n0.866075 0.130391 0.248719 O\n0.347182 0.878833 0.372190 O\n0.863797 0.637018 0.520006 O\n0.358762 0.131613 0.759838 O\n0.147618 0.624366 0.378027 O\n",
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],
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"volume": 1115.9882328136423,
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"formula_full": "Ba4 Li8 Ti24 O56",
"formula_reduced": "BaLi2Ti6O14",
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"updated_at": "2021-11-28T01:36:32.220000Z",
"spacegroup": 64
},
{
"id": "mp-849580",
"created_at": "2022-09-04T14:44:13.250510Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n8.283953 0.000000 0.000000\n4.064420 7.806750 0.000000\n4.099504 2.685862 11.644702\nLi Mn B O\n10 12 12 36\ndirect\n0.010441 0.093715 0.194818 Li\n0.276994 0.402315 0.303350 Li\n0.284225 0.150382 0.551535 Li\n0.009438 0.840062 0.448348 Li\n0.021706 0.334911 0.944052 Li\n0.023525 0.581223 0.696886 Li\n0.281132 0.900592 0.796719 Li\n0.697168 0.889652 0.126076 Li\n0.699544 0.638243 0.374760 Li\n0.709797 0.134469 0.883793 Li\n0.619445 0.297650 0.097350 Mn\n0.634820 0.028074 0.342004 Mn\n0.355248 0.743503 0.245891 Mn\n0.374671 0.493314 0.499294 Mn\n0.400713 0.233796 0.743734 Mn\n0.982056 0.237733 0.416334 Mn\n0.000079 0.481045 0.158823 Mn\n0.643685 0.519573 0.838806 Mn\n0.637221 0.769075 0.590584 Mn\n0.363486 0.978368 0.995838 Mn\n0.983931 0.991310 0.661491 Mn\n0.997609 0.730050 0.910567 Mn\n0.331018 0.130056 0.202422 B\n0.019357 0.241455 0.754008 B\n0.005786 0.505320 0.496517 B\n0.324679 0.620268 0.714534 B\n0.327602 0.878200 0.456508 B\n0.343347 0.361755 0.955624 B\n0.668133 0.121173 0.544338 B\n0.661169 0.379477 0.288716 B\n0.671527 0.620074 0.045037 B\n0.987987 0.754090 0.254559 B\n0.669400 0.874963 0.788850 B\n0.988632 0.014045 0.000418 B\n0.076389 0.091285 0.031377 O\n0.140817 0.206591 0.237588 O\n0.102015 0.599508 0.219946 O\n0.125381 0.103711 0.697435 O\n0.120796 0.352102 0.455191 O\n0.064061 0.846776 0.281205 O\n0.085835 0.586397 0.530669 O\n0.108368 0.325302 0.777735 O\n0.441429 0.201509 0.218781 O\n0.794866 0.070525 0.031343 O\n0.135953 0.956438 0.484784 O\n0.134207 0.710844 0.736880 O\n0.154739 0.449283 0.983527 O\n0.470363 0.455047 0.323944 O\n0.472425 0.203121 0.582301 O\n0.482637 0.706797 0.072575 O\n0.398952 0.469302 0.671580 O\n0.421288 0.223393 0.899094 O\n0.736482 0.242660 0.229150 O\n0.416087 0.732636 0.407077 O\n0.416047 0.985832 0.154396 O\n0.094654 0.886052 0.938140 O\n0.439823 0.680452 0.731646 O\n0.435310 0.943808 0.477773 O\n0.469286 0.403096 0.979411 O\n0.780355 0.180203 0.562699 O\n0.779059 0.431333 0.309496 O\n0.792854 0.678225 0.057545 O\n0.795418 0.818413 0.265088 O\n0.817386 0.578392 0.501391 O\n0.830007 0.293000 0.788278 O\n0.473461 0.971816 0.806520 O\n0.737195 0.983872 0.490266 O\n0.744835 0.725311 0.746074 O\n0.745171 0.465306 0.003268 O\n0.776793 0.934448 0.814155 O\n",
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"formula_full": "Li10 Mn12 B12 O36",
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"spacegroup": 1
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{
"id": "mp-1079478",
"created_at": "2022-09-04T14:44:13.251347Z",
"structure_string": "Pr2 Ag2 Sb4\n1.0\n4.425601 0.000000 0.000000\n0.000000 4.425601 0.000000\n0.000000 0.000000 10.788825\nPr Ag Sb\n2 2 4\ndirect\n0.000000 0.500000 0.762363 Pr\n0.500000 0.000000 0.237637 Pr\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.325272 Sb\n0.500000 0.000000 0.674728 Sb\n",
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{
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{
"id": "mp-1246839",
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"structure_string": "Ca28 S4 N24\n1.0\n12.115018 0.000000 0.000000\n0.000000 6.370501 0.000000\n0.000000 0.000000 12.492013\nCa S N\n28 4 24\ndirect\n0.065738 0.699977 0.001800 Ca\n0.434262 0.800023 0.501800 Ca\n0.565738 0.800023 0.998200 Ca\n0.934262 0.699977 0.498200 Ca\n0.934262 0.300023 0.998200 Ca\n0.565738 0.199977 0.498200 Ca\n0.434262 0.199977 0.001800 Ca\n0.065738 0.300023 0.501800 Ca\n0.221595 0.902410 0.667575 Ca\n0.278405 0.597590 0.167575 Ca\n0.721595 0.597590 0.332425 Ca\n0.778405 0.902410 0.832425 Ca\n0.778405 0.097590 0.332425 Ca\n0.721595 0.402410 0.832425 Ca\n0.278405 0.402410 0.667575 Ca\n0.221595 0.097590 0.167575 Ca\n0.313491 0.658348 0.896507 Ca\n0.186509 0.841652 0.396507 Ca\n0.813491 0.841652 0.103493 Ca\n0.686509 0.658348 0.603493 Ca\n0.686509 0.341652 0.103493 Ca\n0.813491 0.158348 0.603493 Ca\n0.186509 0.158348 0.896507 Ca\n0.313491 0.341652 0.396507 Ca\n0.000000 0.619958 0.750000 Ca\n0.500000 0.880042 0.250000 Ca\n0.000000 0.380042 0.250000 Ca\n0.500000 0.119958 0.750000 Ca\n0.000000 0.096506 0.750000 S\n0.500000 0.403494 0.250000 S\n0.000000 0.903493 0.250000 S\n0.500000 0.596507 0.750000 S\n0.152254 0.795575 0.841188 N\n0.347746 0.704425 0.341188 N\n0.652254 0.704425 0.158812 N\n0.847746 0.795575 0.658812 N\n0.847746 0.204425 0.158812 N\n0.652254 0.295575 0.658812 N\n0.347746 0.295575 0.841188 N\n0.152254 0.204425 0.341188 N\n0.124808 0.656801 0.553726 N\n0.375192 0.843199 0.053726 N\n0.624808 0.843199 0.446274 N\n0.875192 0.656801 0.946274 N\n0.875192 0.343199 0.446274 N\n0.624808 0.156801 0.946274 N\n0.375192 0.156801 0.553726 N\n0.124808 0.343199 0.053726 N\n0.401663 0.729806 0.703447 N\n0.098337 0.770194 0.203447 N\n0.901663 0.770194 0.296553 N\n0.598337 0.729806 0.796553 N\n0.598337 0.270194 0.296553 N\n0.901663 0.229806 0.796553 N\n0.098337 0.229806 0.703447 N\n0.401663 0.270194 0.203447 N\n",
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{
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"structure_string": "Li4 Fe6 Cu2 O16\n1.0\n2.967689 -5.140188 0.000000\n2.967689 5.140188 0.000000\n0.000000 0.000000 9.459087\nLi Fe Cu O\n4 6 2 16\ndirect\n0.333333 0.666667 0.898297 Li\n0.000000 0.000000 0.991591 Li\n0.000000 0.000000 0.491591 Li\n0.666667 0.333333 0.398297 Li\n0.171860 0.828140 0.211244 Fe\n0.171860 0.343719 0.211244 Fe\n0.656281 0.828140 0.211244 Fe\n0.343719 0.171860 0.711244 Fe\n0.828140 0.656281 0.711244 Fe\n0.828140 0.171860 0.711244 Fe\n0.333333 0.666667 0.485835 Cu\n0.666667 0.333333 0.985835 Cu\n0.169699 0.830301 0.601073 O\n0.042979 0.521490 0.345505 O\n0.333333 0.666667 0.101999 O\n0.000000 0.000000 0.300339 O\n0.000000 0.000000 0.800339 O\n0.169699 0.339398 0.601073 O\n0.478510 0.957021 0.345505 O\n0.478510 0.521490 0.345505 O\n0.339398 0.169699 0.101073 O\n0.660602 0.830301 0.601073 O\n0.521490 0.478510 0.845505 O\n0.521490 0.042979 0.845505 O\n0.666667 0.333333 0.601999 O\n0.830301 0.660602 0.101073 O\n0.957021 0.478510 0.845505 O\n0.830301 0.169699 0.101073 O\n",
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{
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