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{
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"structure_string": "Sr2 Li1 H8 O6\n1.0\n3.822173 0.007835 -0.001967\n0.015546 6.954538 0.508932\n-0.000666 0.538742 7.620910\nSr Li H O\n2 1 8 6\ndirect\n0.001877 0.612331 0.679169 Sr\n0.997711 0.337976 0.221850 Sr\n0.492156 0.673995 0.305870 Li\n0.210161 0.192676 0.844704 H\n0.787863 0.193299 0.844565 H\n0.798488 0.919290 0.326451 H\n0.206037 0.921532 0.327455 H\n0.500658 0.911358 0.784743 H\n0.499767 0.037207 0.117683 H\n0.502217 0.330423 0.561931 H\n0.498353 0.634517 0.995985 H\n0.998828 0.265871 0.882791 O\n0.003933 0.827631 0.371023 O\n0.501020 0.771640 0.777567 O\n0.500983 0.056755 0.243056 O\n0.503154 0.456204 0.484855 O\n0.496794 0.544793 0.109511 O\n",
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{
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"formula_full": "La8 Ti2 Ga2 O19",
"formula_reduced": "La8Ti2Ga2O19",
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"energy": -266.67060684,
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{
"id": "mp-1075194",
"created_at": "2022-09-04T14:40:31.179050Z",
"structure_string": "Mg6 Si8\n1.0\n3.986850 0.000000 0.000000\n0.000000 6.751304 0.000000\n0.000000 1.869866 9.361384\nMg Si\n6 8\ndirect\n0.000000 0.349358 0.327188 Mg\n0.500000 0.934656 0.980729 Mg\n0.500000 0.648801 0.768136 Mg\n0.000000 0.266312 0.987626 Mg\n0.500000 0.080230 0.520139 Mg\n0.500000 0.672234 0.400050 Mg\n0.000000 0.803738 0.572575 Si\n0.000000 0.428837 0.611701 Si\n0.500000 0.492574 0.138373 Si\n0.000000 0.660004 0.997356 Si\n0.000000 0.957239 0.779709 Si\n0.500000 0.100773 0.216465 Si\n0.500000 0.253026 0.749565 Si\n0.000000 0.852087 0.197117 Si\n",
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{
"id": "mp-1233229",
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"structure_string": "Mg1 V12 B4 O20\n1.0\n0.000000 -0.000000 3.162035\n9.692289 0.112411 -0.000001\n0.149076 13.016194 0.000001\nMg V B O\n1 12 4 20\ndirect\n0.500000 0.210294 0.035275 Mg\n0.500000 0.002683 0.230368 V\n0.500000 0.983350 0.768326 V\n0.500000 0.491109 0.721794 V\n0.500000 0.520379 0.288056 V\n0.500000 0.999786 0.498278 V\n0.500000 0.514982 0.998949 V\n0.000000 0.251063 0.394475 V\n1.000000 0.749249 0.608961 V\n0.000000 0.253485 0.856573 V\n1.000000 0.743392 0.122590 V\n0.000000 0.965416 0.986669 V\n0.000000 0.499489 0.504109 V\n0.000000 0.298481 0.161487 B\n1.000000 0.715927 0.853324 B\n0.000000 0.217344 0.635166 B\n0.000000 0.780437 0.363926 B\n1.000000 0.359095 0.060948 O\n1.000000 0.653665 0.951397 O\n0.000000 0.151863 0.542024 O\n1.000000 0.849169 0.455605 O\n0.000000 0.152136 0.150459 O\n0.000000 0.860395 0.846883 O\n0.000000 0.360929 0.643398 O\n0.000000 0.636403 0.363284 O\n0.500000 0.121456 0.360720 O\n0.500000 0.877046 0.633796 O\n0.500000 0.384873 0.867978 O\n0.500000 0.615559 0.141026 O\n0.000000 0.366571 0.249244 O\n1.000000 0.641625 0.763461 O\n0.000000 0.135127 0.725614 O\n0.000000 0.853289 0.268911 O\n0.500000 0.397868 0.426806 O\n0.500000 0.603155 0.579463 O\n0.500000 0.094933 0.915526 O\n0.500000 0.896312 0.082422 O\n",
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"elements": [
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],
"chemical_system": "B-Mg-O-V",
"density": 4.158373562067931,
"density_atomic": 0.09276462123246797,
"volume": 398.8589562315796,
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"formula_full": "Mg1 V12 B4 O20",
"formula_reduced": "MgV12(BO5)4",
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"energy": -322.73706734,
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{
"id": "mp-775945",
"created_at": "2022-09-04T14:40:31.622993Z",
"structure_string": "Li8 Mn4 Fe4 P8 O32\n1.0\n6.130587 0.000000 0.000000\n0.000000 9.541645 0.000000\n0.000000 0.012481 10.505468\nLi Mn Fe P O\n8 4 4 8 32\ndirect\n0.249145 0.000034 0.999579 Li\n0.750855 0.000034 0.999579 Li\n0.750624 0.750090 0.499911 Li\n0.249376 0.750090 0.499911 Li\n0.249574 0.499855 0.000219 Li\n0.750426 0.499855 0.000219 Li\n0.249352 0.249958 0.499928 Li\n0.750648 0.249958 0.499928 Li\n0.500000 0.987391 0.281425 Mn\n0.500000 0.762369 0.781478 Mn\n0.000000 0.737537 0.218825 Mn\n0.500000 0.262688 0.781515 Mn\n0.000000 0.513508 0.718339 Fe\n0.500000 0.486043 0.281542 Fe\n0.000000 0.236865 0.217997 Fe\n0.000000 0.013587 0.718337 Fe\n0.000000 0.957916 0.407736 P\n0.000000 0.794179 0.905495 P\n0.500000 0.704798 0.093728 P\n0.500000 0.541671 0.592267 P\n0.000000 0.456548 0.406713 P\n0.000000 0.293992 0.906366 P\n0.500000 0.208513 0.093808 P\n0.500000 0.042281 0.593195 P\n0.000000 0.896710 0.545273 O\n0.201390 0.890203 0.338341 O\n0.798610 0.890203 0.338341 O\n0.500000 0.881034 0.595178 O\n0.500000 0.866542 0.096355 O\n0.201328 0.862037 0.836389 O\n0.798672 0.862037 0.836389 O\n0.000000 0.854898 0.043258 O\n0.500000 0.644387 0.956397 O\n0.701100 0.638044 0.163626 O\n0.298900 0.638044 0.163626 O\n0.000000 0.633017 0.902463 O\n0.000000 0.618041 0.404225 O\n0.702620 0.607162 0.662727 O\n0.297380 0.607162 0.662727 O\n0.500000 0.604307 0.455412 O\n0.000000 0.395120 0.543800 O\n0.202342 0.390866 0.336151 O\n0.797658 0.390866 0.336151 O\n0.500000 0.380706 0.595410 O\n0.500000 0.369336 0.096355 O\n0.200997 0.362014 0.837074 O\n0.799003 0.362014 0.837074 O\n0.000000 0.353471 0.044550 O\n0.500000 0.144967 0.957488 O\n0.703001 0.142547 0.163758 O\n0.296999 0.142547 0.163758 O\n0.000000 0.132550 0.902497 O\n0.000000 0.118842 0.402993 O\n0.702702 0.107252 0.663596 O\n0.297298 0.107252 0.663596 O\n0.500000 0.106064 0.456990 O\n",
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"formula_full": "Li8 Mn4 Fe4 P8 O32",
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{
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"structure_string": "Li7 Mn1 P4 O16\n1.0\n5.951037 0.000000 0.000000\n0.000000 4.762767 0.000000\n0.000000 0.031395 10.220740\nLi Mn P O\n7 1 4 16\ndirect\n0.261905 0.986786 0.982950 Li\n0.738095 0.986786 0.982950 Li\n0.000000 0.477798 0.775827 Li\n0.738177 0.497551 0.511022 Li\n0.261823 0.497551 0.511022 Li\n0.500000 0.524152 0.223827 Li\n0.500000 0.973654 0.719879 Li\n0.000000 0.008579 0.279704 Mn\n0.500000 0.060758 0.405657 P\n0.500000 0.427672 0.906516 P\n0.000000 0.587953 0.103885 P\n0.000000 0.930352 0.589382 P\n0.500000 0.203991 0.539819 O\n0.287413 0.193041 0.331111 O\n0.712587 0.193041 0.331111 O\n0.000000 0.250386 0.584735 O\n0.000000 0.264088 0.117429 O\n0.291433 0.293374 0.839456 O\n0.708567 0.293374 0.839456 O\n0.500000 0.307212 0.049254 O\n0.000000 0.689709 0.962699 O\n0.799644 0.735622 0.179012 O\n0.200356 0.735622 0.179012 O\n0.500000 0.748382 0.904794 O\n0.500000 0.742106 0.403932 O\n0.791688 0.794587 0.652364 O\n0.208312 0.794587 0.652364 O\n0.000000 0.801285 0.440830 O\n",
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{
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{
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{
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