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{
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"results": [
{
"id": "mp-1177109",
"created_at": "2022-09-04T14:48:22.287726Z",
"structure_string": "Li5 Mn8 B8 O24\n1.0\n5.322173 0.000000 0.000000\n0.025424 9.106416 0.000000\n0.465046 0.016694 10.411857\nLi Mn B O\n5 8 8 24\ndirect\n0.161966 0.997863 0.852519 Li\n0.634491 0.517739 0.332846 Li\n0.645184 0.488777 0.835278 Li\n0.844288 0.998887 0.087686 Li\n0.864838 0.007375 0.579773 Li\n0.148554 0.308312 0.366085 Mn\n0.152708 0.674961 0.864686 Mn\n0.332093 0.828955 0.127606 Mn\n0.345930 0.171156 0.622628 Mn\n0.654520 0.847579 0.371180 Mn\n0.654028 0.162693 0.875247 Mn\n0.837594 0.345312 0.119946 Mn\n0.836545 0.655618 0.614457 Mn\n0.159561 0.653464 0.371338 B\n0.158049 0.339345 0.874800 B\n0.331976 0.161106 0.123056 B\n0.337062 0.834432 0.636106 B\n0.677950 0.179952 0.373754 B\n0.670998 0.827716 0.870737 B\n0.833242 0.684315 0.119621 B\n0.835946 0.314081 0.625354 B\n0.064348 0.694154 0.048587 O\n0.058739 0.296814 0.550912 O\n0.194386 0.038752 0.099891 O\n0.216211 0.285709 0.179745 O\n0.197894 0.961456 0.648740 O\n0.224929 0.700491 0.678650 O\n0.278830 0.521064 0.373075 O\n0.287277 0.778826 0.327093 O\n0.269327 0.206358 0.833830 O\n0.291647 0.466713 0.872074 O\n0.427572 0.184149 0.415161 O\n0.412830 0.831575 0.899860 O\n0.588523 0.167951 0.084325 O\n0.582989 0.834287 0.582970 O\n0.723021 0.554468 0.149437 O\n0.725418 0.817623 0.162591 O\n0.726304 0.182280 0.671600 O\n0.734291 0.446013 0.655971 O\n0.784885 0.312965 0.325949 O\n0.815376 0.055344 0.387974 O\n0.780803 0.694890 0.827821 O\n0.812472 0.951249 0.889288 O\n0.903875 0.668143 0.414271 O\n0.902839 0.336784 0.919195 O\n",
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"Li",
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"B",
"O"
],
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"volume": 504.62024259405604,
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"formula_full": "Li5 Mn8 B8 O24",
"formula_reduced": "Li5Mn8(BO3)8",
"formula_anonymous": "A5B8C8D24",
"energy": -365.13378141999993,
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"updated_at": "2021-11-28T01:38:55.662000Z",
"spacegroup": 1
},
{
"id": "mp-554541",
"created_at": "2022-09-04T14:47:25.359009Z",
"structure_string": "Sr12 Cr9 O27\n1.0\n9.747354 0.000000 0.000000\n-4.873677 8.441456 0.000000\n0.000000 0.000000 7.941321\nSr Cr O\n12 9 27\ndirect\n0.694192 0.664309 0.002990 Sr\n0.026134 0.693586 0.756107 Sr\n0.340453 0.347568 0.250542 Sr\n0.652432 0.992885 0.250542 Sr\n0.667452 0.973866 0.756107 Sr\n0.007115 0.659547 0.250542 Sr\n0.335691 0.029883 0.002990 Sr\n0.970117 0.305808 0.002990 Sr\n0.355114 0.999037 0.510367 Sr\n0.306414 0.332548 0.756107 Sr\n0.000963 0.356077 0.510367 Sr\n0.643923 0.644886 0.510367 Sr\n0.000000 0.000000 0.866034 Cr\n0.666667 0.333333 0.421559 Cr\n0.333333 0.666667 0.334313 Cr\n0.666667 0.333333 0.761888 Cr\n0.000000 0.000000 0.193961 Cr\n0.333333 0.666667 0.656815 Cr\n0.000000 0.000000 0.526370 Cr\n0.666667 0.333333 0.098413 Cr\n0.333333 0.666667 0.997783 Cr\n0.674614 0.495601 0.264392 O\n0.174295 0.673353 0.497014 O\n0.829881 0.876400 0.346811 O\n0.046519 0.170119 0.346811 O\n0.835060 0.477112 0.939088 O\n0.157858 0.160735 0.029837 O\n0.341182 0.824718 0.822458 O\n0.335304 0.820189 0.167329 O\n0.002877 0.842142 0.029837 O\n0.504399 0.179013 0.264392 O\n0.522888 0.357949 0.939088 O\n0.123600 0.953481 0.346811 O\n0.642051 0.164940 0.939088 O\n0.179811 0.515115 0.167329 O\n0.839265 0.997123 0.029837 O\n0.499059 0.825705 0.497014 O\n0.484885 0.664696 0.167329 O\n0.854024 0.831664 0.705739 O\n0.505420 0.317401 0.575949 O\n0.977640 0.145976 0.705739 O\n0.811981 0.494580 0.575949 O\n0.820987 0.325386 0.264392 O\n0.175282 0.516464 0.822458 O\n0.483536 0.658818 0.822458 O\n0.682599 0.188019 0.575949 O\n0.326647 0.500941 0.497014 O\n0.168336 0.022360 0.705739 O\n",
"nsites": 48,
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"elements": [
"Sr",
"Cr",
"O"
],
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"density_atomic": 0.07345889415186058,
"volume": 653.4266620018843,
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"formula_full": "Sr12 Cr9 O27",
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"formula_anonymous": "A3B4C9",
"energy": -371.8363838,
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"spacegroup": 143
},
{
"id": "mp-778754",
"created_at": "2022-09-04T14:41:53.654463Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n-5.221722 0.000000 0.000000\n-0.001216 -9.063588 0.000000\n0.190897 0.296180 10.394181\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.849198 0.828053 0.664905 Li\n0.817050 0.836178 0.168485 Li\n0.681442 0.668553 0.415743 Li\n0.662058 0.673965 0.914859 Li\n0.346143 0.327470 0.666575 Li\n0.317709 0.336782 0.167485 Li\n0.184414 0.170370 0.414394 Li\n0.161906 0.174881 0.915173 Li\n0.667154 0.003002 0.884228 Mn\n0.819789 0.501048 0.133652 Fe\n0.841987 0.161290 0.632823 Fe\n0.674049 0.331199 0.383852 Fe\n0.333802 0.659523 0.634240 Fe\n0.315540 0.999652 0.131431 Fe\n0.182655 0.832766 0.382881 Fe\n0.165665 0.500300 0.885584 Fe\n0.828426 0.168047 0.128474 B\n0.833637 0.500242 0.625595 B\n0.668574 0.001365 0.375222 B\n0.671740 0.336931 0.875115 B\n0.329760 0.666851 0.126032 B\n0.337725 0.000193 0.625087 B\n0.165573 0.502111 0.375453 B\n0.168948 0.832108 0.876537 B\n0.903469 0.514200 0.345926 O\n0.906002 0.821159 0.861893 O\n0.821331 0.213086 0.844970 O\n0.808122 0.127381 0.415193 O\n0.787775 0.866882 0.362191 O\n0.787986 0.468604 0.916780 O\n0.720230 0.637692 0.613076 O\n0.707675 0.033172 0.099399 O\n0.691901 0.372121 0.596683 O\n0.686845 0.291561 0.165391 O\n0.593795 0.678476 0.114228 O\n0.594067 0.991406 0.664476 O\n0.404705 0.014414 0.347177 O\n0.407523 0.327810 0.862262 O\n0.322643 0.710053 0.846084 O\n0.304577 0.626756 0.416770 O\n0.288070 0.367610 0.361559 O\n0.279939 0.965716 0.919001 O\n0.210219 0.531770 0.095993 O\n0.221508 0.137653 0.613068 O\n0.197443 0.872651 0.596322 O\n0.186854 0.789193 0.165267 O\n0.092529 0.178923 0.115349 O\n0.090451 0.489431 0.664715 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
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"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2805467764434897,
"density_atomic": 0.09757466295672644,
"volume": 491.9309843917945,
"volume_molar": 6.1718284004432284,
"formula_full": "Li8 Mn1 Fe7 B8 O24",
"formula_reduced": "Li8MnFe7(BO3)8",
"formula_anonymous": "AB7C8D8E24",
"energy": -369.22940682,
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"updated_at": "2021-11-28T01:35:36.998000Z",
"spacegroup": 1
},
{
"id": "mp-1195298",
"created_at": "2022-09-04T14:46:13.711025Z",
"structure_string": "Ca16 Si16 P32\n1.0\n7.204562 0.000000 0.000000\n0.000000 7.204562 0.000000\n0.000000 0.000000 26.320075\nCa Si P\n16 16 32\ndirect\n0.652807 0.377134 0.319179 Ca\n0.347193 0.622866 0.819179 Ca\n0.877134 0.847193 0.069179 Ca\n0.122866 0.152807 0.569179 Ca\n0.622866 0.347193 0.180821 Ca\n0.377134 0.652807 0.680821 Ca\n0.847193 0.877134 0.930821 Ca\n0.152807 0.122866 0.430821 Ca\n0.627952 0.154543 0.564482 Ca\n0.372048 0.845457 0.064482 Ca\n0.654543 0.872048 0.314482 Ca\n0.345457 0.127952 0.814482 Ca\n0.845457 0.372048 0.935518 Ca\n0.154543 0.627952 0.435518 Ca\n0.872048 0.654543 0.685518 Ca\n0.127952 0.345457 0.185518 Ca\n0.626251 0.116101 0.705759 Si\n0.373749 0.883899 0.205759 Si\n0.616101 0.873749 0.455759 Si\n0.383899 0.126251 0.955759 Si\n0.883899 0.373749 0.794241 Si\n0.116101 0.626251 0.294241 Si\n0.873749 0.616101 0.544241 Si\n0.126251 0.383899 0.044241 Si\n0.616865 0.375997 0.450337 Si\n0.383135 0.624003 0.950337 Si\n0.875997 0.883135 0.200337 Si\n0.124003 0.116865 0.700337 Si\n0.624003 0.383135 0.049663 Si\n0.375997 0.616865 0.549663 Si\n0.883135 0.875997 0.799663 Si\n0.116865 0.124003 0.299663 Si\n0.888078 0.366921 0.492045 P\n0.111922 0.633079 0.992045 P\n0.866921 0.611922 0.242045 P\n0.133079 0.388078 0.742045 P\n0.633079 0.111922 0.007955 P\n0.366921 0.888078 0.507955 P\n0.611922 0.866921 0.757955 P\n0.388078 0.133079 0.257955 P\n0.135627 0.864373 0.750000 P\n0.864373 0.135627 0.250000 P\n0.364373 0.364373 0.500000 P\n0.635627 0.635627 0.000000 P\n0.572964 0.118386 0.402467 P\n0.427036 0.881614 0.902467 P\n0.618386 0.927036 0.152467 P\n0.381614 0.072964 0.652467 P\n0.881614 0.427036 0.097533 P\n0.118386 0.572964 0.597533 P\n0.927036 0.618386 0.847533 P\n0.072964 0.381614 0.347533 P\n0.615262 0.384738 0.750000 P\n0.384738 0.615262 0.250000 P\n0.884738 0.884738 0.500000 P\n0.115262 0.115262 0.000000 P\n0.868692 0.067143 0.651860 P\n0.131308 0.932857 0.151860 P\n0.567143 0.631308 0.401860 P\n0.432857 0.368692 0.901860 P\n0.932857 0.131308 0.848140 P\n0.067143 0.868692 0.348140 P\n0.631308 0.567143 0.598140 P\n0.368692 0.432857 0.098140 P\n",
"nsites": 64,
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"elements": [
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"P"
],
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"density": 2.5303516839321376,
"density_atomic": 0.04684655780807116,
"volume": 1366.162275192255,
"volume_molar": 12.855033628452524,
"formula_full": "Ca16 Si16 P32",
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"updated_at": "2021-11-28T01:37:24.503000Z",
"spacegroup": 92
},
{
"id": "mp-777802",
"created_at": "2022-09-04T14:40:16.737409Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.229535 0.000000 0.000000\n0.014474 9.055012 0.000000\n0.111525 0.221932 10.389085\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.152609 0.174294 0.667402 Li\n0.183551 0.161891 0.166860 Li\n0.319433 0.330099 0.415316 Li\n0.336204 0.322633 0.914256 Li\n0.652947 0.673886 0.668378 Li\n0.683644 0.662978 0.165790 Li\n0.821629 0.832276 0.416229 Li\n0.835373 0.824553 0.916133 Li\n0.328038 0.664826 0.384471 Mn\n0.180801 0.497595 0.132261 Fe\n0.158351 0.843115 0.632390 Fe\n0.339838 0.995602 0.884900 Fe\n0.660616 0.340625 0.633219 Fe\n0.680663 0.000366 0.133295 Fe\n0.824355 0.168433 0.384037 Fe\n0.838544 0.497118 0.884560 Fe\n0.169130 0.831939 0.125287 B\n0.163248 0.501384 0.627879 B\n0.333723 0.999336 0.376790 B\n0.327655 0.664864 0.875749 B\n0.670078 0.332031 0.124548 B\n0.662869 0.002165 0.626708 B\n0.836200 0.496439 0.374293 B\n0.828782 0.165556 0.875133 B\n0.096012 0.480351 0.343707 O\n0.089643 0.171466 0.861574 O\n0.177948 0.789992 0.847685 O\n0.193241 0.876396 0.419755 O\n0.214194 0.134000 0.360969 O\n0.211755 0.532328 0.915676 O\n0.279340 0.364690 0.614228 O\n0.290839 0.965973 0.096676 O\n0.303248 0.629843 0.599010 O\n0.311205 0.708436 0.164104 O\n0.406701 0.319739 0.111959 O\n0.408264 0.013028 0.665482 O\n0.595316 0.984590 0.347018 O\n0.590547 0.671765 0.862357 O\n0.677743 0.289933 0.845791 O\n0.694214 0.373822 0.416243 O\n0.721406 0.633672 0.361881 O\n0.711080 0.033520 0.916837 O\n0.788718 0.467133 0.096020 O\n0.777050 0.864059 0.615462 O\n0.806040 0.128859 0.596335 O\n0.813772 0.209591 0.163883 O\n0.905547 0.821340 0.113570 O\n0.907292 0.510865 0.665494 O\n",
"nsites": 48,
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"volume": 491.95955918967957,
"volume_molar": 6.172186903474587,
"formula_full": "Li8 Mn1 Fe7 B8 O24",
"formula_reduced": "Li8MnFe7(BO3)8",
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"energy": -369.21733679,
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"spacegroup": 1
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{
"id": "mp-1176836",
"created_at": "2022-09-04T14:42:07.818508Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.214533 0.000000 0.000000\n0.012999 9.059725 0.000000\n0.153821 0.280344 10.359477\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.146350 0.174004 0.668040 Li\n0.185907 0.160366 0.167025 Li\n0.320980 0.331747 0.416813 Li\n0.337931 0.326513 0.916965 Li\n0.647943 0.672997 0.666672 Li\n0.686291 0.660374 0.167314 Li\n0.818909 0.832070 0.417161 Li\n0.836200 0.826992 0.917551 Li\n0.160206 0.839261 0.632806 Mn\n0.183170 0.497113 0.132499 Fe\n0.338776 0.663818 0.382664 Fe\n0.324503 0.999741 0.882801 Fe\n0.654086 0.339460 0.632000 Fe\n0.683684 0.997596 0.131816 Fe\n0.838183 0.163432 0.383571 Fe\n0.825437 0.499861 0.883480 Fe\n0.173237 0.830634 0.126323 B\n0.159179 0.500775 0.625692 B\n0.336009 0.996396 0.374892 B\n0.328134 0.665709 0.877155 B\n0.673465 0.330871 0.126314 B\n0.657962 0.003313 0.626353 B\n0.836324 0.496251 0.375675 B\n0.827628 0.166600 0.876340 B\n0.096989 0.483691 0.345159 O\n0.093301 0.177451 0.863991 O\n0.178826 0.790167 0.847526 O\n0.193177 0.873367 0.414788 O\n0.218692 0.134426 0.362899 O\n0.213407 0.533394 0.916810 O\n0.271775 0.362297 0.612842 O\n0.291070 0.965966 0.096267 O\n0.305333 0.626113 0.595141 O\n0.317367 0.708492 0.165631 O\n0.408922 0.318115 0.113010 O\n0.403924 0.018827 0.667654 O\n0.596721 0.984377 0.344760 O\n0.593288 0.676332 0.863277 O\n0.678595 0.290565 0.845186 O\n0.693893 0.373072 0.416628 O\n0.719014 0.633729 0.362696 O\n0.713448 0.034444 0.917000 O\n0.791045 0.466080 0.096234 O\n0.763834 0.864195 0.611785 O\n0.805652 0.128800 0.595712 O\n0.817510 0.208735 0.165931 O\n0.908712 0.818001 0.112938 O\n0.904409 0.512877 0.665811 O\n",
"nsites": 48,
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"formula_full": "Li8 Mn1 Fe7 B8 O24",
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"spacegroup": 1
},
{
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}