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{
"id": "mp-1194946",
"created_at": "2022-09-04T14:39:28.733364Z",
"structure_string": "Na6 U12 Fe2 F60\n1.0\n4.940620 -8.557404 0.000000\n4.940620 8.557404 0.000000\n0.000000 0.000000 13.099170\nNa U Fe F\n6 12 2 60\ndirect\n0.666667 0.333333 0.660484 Na\n0.666667 0.333333 0.160484 Na\n0.333333 0.666667 0.339516 Na\n0.333333 0.666667 0.839516 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.076518 0.678082 0.602392 U\n0.601564 0.923482 0.602392 U\n0.321918 0.398436 0.602392 U\n0.076518 0.398436 0.102392 U\n0.321918 0.923482 0.102392 U\n0.601564 0.678082 0.102392 U\n0.923482 0.321918 0.397608 U\n0.398436 0.076518 0.397608 U\n0.678082 0.601564 0.397608 U\n0.923482 0.601564 0.897608 U\n0.678082 0.076518 0.897608 U\n0.398436 0.321918 0.897608 U\n0.000000 0.000000 0.750000 Fe\n0.000000 0.000000 0.250000 Fe\n0.869719 0.563865 0.714974 F\n0.694147 0.130281 0.714974 F\n0.436135 0.305853 0.714974 F\n0.869719 0.305853 0.214974 F\n0.436135 0.130281 0.214974 F\n0.694147 0.563865 0.214974 F\n0.130281 0.436135 0.285026 F\n0.305853 0.869719 0.285026 F\n0.563865 0.694147 0.285026 F\n0.130281 0.694147 0.785026 F\n0.563865 0.869719 0.785026 F\n0.305853 0.436135 0.785026 F\n0.883885 0.689091 0.519768 F\n0.805206 0.116115 0.519768 F\n0.310909 0.194794 0.519768 F\n0.883885 0.194794 0.019768 F\n0.310909 0.116115 0.019768 F\n0.805206 0.689091 0.019768 F\n0.116115 0.310909 0.480232 F\n0.194794 0.883885 0.480232 F\n0.689091 0.805206 0.480232 F\n0.116115 0.805206 0.980232 F\n0.689091 0.883885 0.980232 F\n0.194794 0.310909 0.980232 F\n0.119156 0.588417 0.450267 F\n0.469260 0.880844 0.450267 F\n0.411583 0.530740 0.450267 F\n0.119156 0.530740 0.950267 F\n0.411583 0.880844 0.950267 F\n0.469260 0.588417 0.950267 F\n0.880844 0.411583 0.549733 F\n0.530740 0.119156 0.549733 F\n0.588417 0.469260 0.549733 F\n0.880844 0.469260 0.049733 F\n0.588417 0.119156 0.049733 F\n0.530740 0.411583 0.049733 F\n0.083530 0.893900 0.657683 F\n0.810369 0.916470 0.657683 F\n0.106100 0.189631 0.657683 F\n0.083530 0.189631 0.157683 F\n0.106100 0.916470 0.157683 F\n0.810369 0.893900 0.157683 F\n0.916470 0.106100 0.342317 F\n0.189631 0.083530 0.342317 F\n0.893900 0.810369 0.342317 F\n0.916470 0.810369 0.842317 F\n0.893900 0.083530 0.842317 F\n0.189631 0.106100 0.842317 F\n0.339457 0.827138 0.636643 F\n0.487681 0.660543 0.636643 F\n0.172862 0.512319 0.636643 F\n0.339457 0.512319 0.136643 F\n0.172862 0.660543 0.136643 F\n0.487681 0.827138 0.136643 F\n0.660543 0.172862 0.363357 F\n0.512319 0.339457 0.363357 F\n0.827138 0.487681 0.363357 F\n0.660543 0.487681 0.863357 F\n0.827138 0.339457 0.863357 F\n0.512319 0.172862 0.863357 F\n",
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"volume": 1107.6365084395343,
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"formula_full": "Na6 U12 Fe2 F60",
"formula_reduced": "Na3U6FeF30",
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"updated_at": "2021-11-28T01:34:29.661000Z",
"spacegroup": 165
},
{
"id": "mp-758344",
"created_at": "2022-09-04T14:39:47.557149Z",
"structure_string": "Li4 V8 P12 O48\n1.0\n8.743630 0.000000 0.000000\n0.000000 8.867345 0.000000\n0.000000 0.000000 12.174616\nLi V P O\n4 8 12 48\ndirect\n0.180261 0.686278 0.250000 Li\n0.180261 0.813722 0.750000 Li\n0.819739 0.186278 0.250000 Li\n0.819739 0.313722 0.750000 Li\n0.246346 0.024031 0.104414 V\n0.246346 0.024031 0.395586 V\n0.246346 0.475969 0.604414 V\n0.246346 0.475969 0.895586 V\n0.753654 0.975969 0.895586 V\n0.753654 0.524031 0.104414 V\n0.753654 0.524031 0.395586 V\n0.753654 0.975969 0.604414 V\n0.029649 0.750000 0.000000 P\n0.029649 0.750000 0.500000 P\n0.398404 0.373103 0.129137 P\n0.398404 0.126897 0.629137 P\n0.398404 0.126897 0.870863 P\n0.398404 0.373103 0.370863 P\n0.601596 0.626897 0.870863 P\n0.601596 0.626897 0.629137 P\n0.601596 0.873103 0.129137 P\n0.601596 0.873103 0.370863 P\n0.970351 0.250000 0.000000 P\n0.970351 0.250000 0.500000 P\n0.064670 0.143034 0.426679 O\n0.064670 0.356966 0.573321 O\n0.064670 0.143034 0.073321 O\n0.064670 0.356966 0.926679 O\n0.130355 0.834529 0.414573 O\n0.130355 0.834529 0.085427 O\n0.130355 0.665471 0.914573 O\n0.130355 0.665471 0.585427 O\n0.211306 0.015374 0.250000 O\n0.211306 0.484627 0.750000 O\n0.293871 0.030651 0.557977 O\n0.293871 0.469349 0.057977 O\n0.293871 0.469349 0.442023 O\n0.293871 0.030651 0.942023 O\n0.344114 0.066769 0.750000 O\n0.344114 0.433231 0.250000 O\n0.371728 0.204405 0.377501 O\n0.371728 0.295595 0.622499 O\n0.371728 0.295595 0.877501 O\n0.371728 0.204405 0.122499 O\n0.430486 0.600685 0.619252 O\n0.430486 0.899315 0.119252 O\n0.430486 0.899315 0.380748 O\n0.430486 0.600685 0.880748 O\n0.569514 0.100685 0.880748 O\n0.569514 0.399315 0.380748 O\n0.569514 0.399315 0.119252 O\n0.569514 0.100685 0.619252 O\n0.628272 0.704405 0.122499 O\n0.628272 0.704405 0.377501 O\n0.628272 0.795595 0.877501 O\n0.628272 0.795595 0.622499 O\n0.655886 0.566769 0.750000 O\n0.655886 0.933231 0.250000 O\n0.706129 0.530651 0.557977 O\n0.706129 0.530651 0.942023 O\n0.706129 0.969349 0.057977 O\n0.706129 0.969349 0.442023 O\n0.788694 0.515374 0.250000 O\n0.788694 0.984626 0.750000 O\n0.869645 0.165471 0.585427 O\n0.869645 0.334529 0.085427 O\n0.869645 0.334529 0.414573 O\n0.869645 0.165471 0.914573 O\n0.935330 0.856966 0.926679 O\n0.935330 0.643034 0.073321 O\n0.935330 0.643034 0.426679 O\n0.935330 0.856966 0.573321 O\n",
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"elements": [
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"chemical_system": "Li-O-P-V",
"density": 2.7706129850531838,
"density_atomic": 0.07627669147513474,
"volume": 943.9318697176465,
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"formula_full": "Li4 V8 P12 O48",
"formula_reduced": "LiV2(PO4)3",
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"energy": -568.32151628,
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"updated_at": "2021-11-28T01:34:36.294000Z",
"spacegroup": 57
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{
"id": "mp-774303",
"created_at": "2022-09-04T14:46:07.817599Z",
"structure_string": "Li12 Mn10 Fe2 B12 O36\n1.0\n12.739687 0.000000 0.000000\n0.000000 8.264851 0.000000\n0.000000 4.131084 7.170211\nLi Mn Fe B O\n12 10 2 12 36\ndirect\n0.500000 0.982427 0.301339 Li\n0.249830 0.982085 0.301459 Li\n0.000000 0.981783 0.302005 Li\n0.750170 0.982085 0.301459 Li\n0.500000 0.301386 0.715863 Li\n0.750193 0.301047 0.716235 Li\n0.000000 0.301594 0.716053 Li\n0.249807 0.301047 0.716235 Li\n0.750167 0.715524 0.983428 Li\n0.000000 0.715032 0.983825 Li\n0.500000 0.716097 0.982878 Li\n0.249833 0.715524 0.983428 Li\n0.375071 0.359346 0.011967 Mn\n0.874953 0.360190 0.011834 Mn\n0.624929 0.359346 0.011967 Mn\n0.125047 0.360190 0.011834 Mn\n0.875000 0.011954 0.628211 Mn\n0.374961 0.011733 0.628909 Mn\n0.625039 0.011733 0.628909 Mn\n0.125000 0.011954 0.628211 Mn\n0.373805 0.628866 0.359189 Mn\n0.626195 0.628866 0.359189 Mn\n0.875652 0.632667 0.359406 Fe\n0.124348 0.632667 0.359406 Fe\n0.374956 0.000150 0.999909 B\n0.625044 0.000150 0.999909 B\n0.875147 0.997839 0.000454 B\n0.124853 0.997839 0.000454 B\n0.248755 0.666584 0.665594 B\n0.500000 0.666623 0.666528 B\n0.751245 0.666584 0.665594 B\n0.000000 0.667103 0.664517 B\n0.500000 0.333528 0.333351 B\n0.750734 0.334338 0.333566 B\n0.000000 0.335608 0.334169 B\n0.249266 0.334338 0.333566 B\n0.625117 0.922502 0.193304 O\n0.374883 0.922502 0.193304 O\n0.875541 0.916662 0.194863 O\n0.124459 0.916662 0.194863 O\n0.246819 0.580525 0.557835 O\n0.500000 0.580468 0.559048 O\n0.753181 0.580525 0.557835 O\n0.000000 0.581886 0.556075 O\n0.374938 0.193748 0.884148 O\n0.875041 0.191420 0.887435 O\n0.124959 0.191420 0.887435 O\n0.625062 0.193748 0.884148 O\n0.250127 0.860085 0.579842 O\n0.000000 0.860582 0.579755 O\n0.500000 0.860240 0.580365 O\n0.749873 0.860085 0.579842 O\n0.249977 0.559223 0.858997 O\n0.500000 0.559530 0.860004 O\n0.000000 0.558921 0.857990 O\n0.750023 0.559223 0.858997 O\n0.500000 0.250615 0.222346 O\n0.000000 0.253291 0.222082 O\n0.750111 0.251586 0.222199 O\n0.249889 0.251586 0.222199 O\n0.374896 0.884289 0.922121 O\n0.625104 0.884289 0.922121 O\n0.875075 0.883833 0.921061 O\n0.124925 0.883833 0.921061 O\n0.500000 0.527268 0.250758 O\n0.751457 0.527791 0.252100 O\n0.000000 0.528855 0.253857 O\n0.248543 0.527791 0.252100 O\n0.750235 0.222300 0.527182 O\n0.500000 0.222401 0.526952 O\n0.000000 0.222183 0.527740 O\n0.249765 0.222300 0.527182 O\n",
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"formula_full": "Li12 Mn10 Fe2 B12 O36",
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"energy": -568.36061547,
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{
"id": "mp-557413",
"created_at": "2022-09-04T14:45:06.203912Z",
"structure_string": "Rb8 Mo12 S4 O52\n1.0\n13.683191 0.000000 0.000000\n0.000000 9.603677 0.000000\n0.000000 5.553511 10.206287\nRb Mo S O\n8 12 4 52\ndirect\n0.685943 0.021241 0.042567 Rb\n0.194628 0.467890 0.050710 Rb\n0.305372 0.467890 0.550710 Rb\n0.805372 0.532110 0.949290 Rb\n0.814057 0.021241 0.542567 Rb\n0.694628 0.532110 0.449290 Rb\n0.185943 0.978759 0.457433 Rb\n0.314057 0.978759 0.957433 Rb\n0.515600 0.806908 0.524790 Mo\n0.438646 0.149651 0.200823 Mo\n0.992902 0.458830 0.366200 Mo\n0.984400 0.806908 0.024790 Mo\n0.061354 0.149651 0.700823 Mo\n0.007098 0.541170 0.633800 Mo\n0.484400 0.193092 0.475210 Mo\n0.492902 0.541170 0.133800 Mo\n0.561354 0.850349 0.799177 Mo\n0.015600 0.193092 0.975210 Mo\n0.938646 0.850349 0.299177 Mo\n0.507098 0.458830 0.866200 Mo\n0.333770 0.750199 0.750608 S\n0.666230 0.249801 0.249392 S\n0.166230 0.750199 0.250608 S\n0.833770 0.249801 0.749392 S\n0.856082 0.423029 0.664391 O\n0.126880 0.610183 0.602243 O\n0.398399 0.843220 0.795083 O\n0.313157 0.168745 0.215772 O\n0.464360 0.329983 0.284244 O\n0.101601 0.843220 0.295083 O\n0.601601 0.156780 0.204917 O\n0.638761 0.825035 0.483970 O\n0.541076 0.638733 0.951984 O\n0.143918 0.576971 0.335609 O\n0.356082 0.576971 0.835609 O\n0.359373 0.796854 0.610465 O\n0.964115 0.987088 0.108915 O\n0.626880 0.389817 0.897757 O\n0.640627 0.203146 0.389535 O\n0.186843 0.168745 0.715772 O\n0.643918 0.423029 0.164391 O\n0.550377 0.971842 0.870224 O\n0.373120 0.610183 0.102243 O\n0.524928 0.325324 0.526038 O\n0.140627 0.796854 0.110465 O\n0.898399 0.156780 0.704917 O\n0.454457 0.346590 0.802713 O\n0.768225 0.218037 0.237118 O\n0.535640 0.670017 0.715756 O\n0.449623 0.028158 0.129776 O\n0.475072 0.674676 0.473962 O\n0.813157 0.831255 0.284228 O\n0.041076 0.361267 0.548016 O\n0.268225 0.781963 0.262882 O\n0.231775 0.781963 0.762882 O\n0.731775 0.218037 0.737118 O\n0.954457 0.653410 0.697287 O\n0.458924 0.361267 0.048016 O\n0.949623 0.971842 0.370224 O\n0.535885 0.987088 0.608915 O\n0.861239 0.825035 0.983970 O\n0.859373 0.203146 0.889535 O\n0.873120 0.389817 0.397757 O\n0.545543 0.653410 0.197287 O\n0.975072 0.325324 0.026038 O\n0.361239 0.174965 0.516030 O\n0.138761 0.174965 0.016030 O\n0.464115 0.012912 0.391085 O\n0.964360 0.670017 0.215756 O\n0.045543 0.346590 0.302713 O\n0.035885 0.012912 0.891085 O\n0.686843 0.831255 0.784228 O\n0.050377 0.028158 0.629776 O\n0.958924 0.638733 0.451984 O\n0.035640 0.329983 0.784244 O\n0.024928 0.674676 0.973962 O\n",
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"formula_full": "Rb8 Mo12 S4 O52",
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},
{
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{
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