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{
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"results": [
{
"id": "mp-556318",
"created_at": "2022-09-04T14:46:41.869692Z",
"structure_string": "Cr16 Si8 Cl8 O28\n1.0\n12.957043 0.000000 0.000000\n0.000000 6.510104 0.000000\n0.000000 0.375577 10.639561\nCr Si Cl O\n16 8 8 28\ndirect\n0.232856 0.547787 0.921161 Cr\n0.113656 0.148400 0.594998 Cr\n0.967890 0.814353 0.408622 Cr\n0.128092 0.180276 0.102960 Cr\n0.627233 0.217727 0.613343 Cr\n0.542137 0.558373 0.813349 Cr\n0.871908 0.180276 0.602960 Cr\n0.362089 0.214719 0.615809 Cr\n0.275941 0.819577 0.421577 Cr\n0.637911 0.214719 0.115809 Cr\n0.032110 0.814353 0.908622 Cr\n0.767144 0.547787 0.421161 Cr\n0.724059 0.819577 0.921577 Cr\n0.457863 0.558373 0.313349 Cr\n0.886344 0.148400 0.094998 Cr\n0.372767 0.217727 0.113343 Cr\n0.739357 0.056875 0.355252 Si\n0.260643 0.056875 0.855252 Si\n0.504469 0.064625 0.872823 Si\n0.001412 0.321218 0.357019 Si\n0.239136 0.324014 0.364017 Si\n0.760864 0.324014 0.864017 Si\n0.495531 0.064625 0.372823 Si\n0.998588 0.321218 0.857019 Si\n0.116632 0.814676 0.233568 Cl\n0.875643 0.754522 0.060239 Cl\n0.124357 0.754522 0.560239 Cl\n0.627152 0.572804 0.211176 Cl\n0.616664 0.625638 0.547937 Cl\n0.383336 0.625638 0.047937 Cl\n0.883368 0.814676 0.733568 Cl\n0.372848 0.572804 0.711176 Cl\n0.000929 0.249543 0.712393 O\n0.506289 0.155166 0.014865 O\n0.192854 0.852682 0.891005 O\n0.737415 0.130015 0.967669 O\n0.075352 0.509868 0.890645 O\n0.771914 0.172879 0.222184 O\n0.119362 0.386024 0.396524 O\n0.574841 0.860000 0.855445 O\n0.539236 0.249176 0.771347 O\n0.252203 0.224248 0.970632 O\n0.019065 0.123312 0.961083 O\n0.493711 0.155166 0.514865 O\n0.460764 0.249176 0.271347 O\n0.244314 0.251593 0.220148 O\n0.313577 0.517835 0.393619 O\n0.747797 0.224248 0.470632 O\n0.228086 0.172879 0.722184 O\n0.262585 0.130015 0.467669 O\n0.686423 0.517835 0.893619 O\n0.924648 0.509868 0.390645 O\n0.999071 0.249543 0.212393 O\n0.980935 0.123312 0.461083 O\n0.425159 0.860000 0.355445 O\n0.807146 0.852682 0.391005 O\n0.755686 0.251593 0.720148 O\n0.615972 0.009337 0.334668 O\n0.384028 0.009337 0.834668 O\n0.880638 0.386024 0.896524 O\n",
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"elements": [
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"Si",
"Cl",
"O"
],
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"density": 3.308679091836903,
"density_atomic": 0.06685497256591516,
"volume": 897.4650306055162,
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"formula_full": "Cr16 Si8 Cl8 O28",
"formula_reduced": "Cr4Si2Cl2O7",
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"energy": -496.03139169,
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"updated_at": "2021-11-28T01:37:48.247000Z",
"spacegroup": 7
},
{
"id": "mp-557963",
"created_at": "2022-09-04T14:43:59.583094Z",
"structure_string": "Cr16 Si8 Br8 O28\n1.0\n13.070691 0.000000 0.000000\n0.000000 6.550929 0.000000\n0.000000 0.298079 10.704774\nCr Si Br O\n16 8 8 28\ndirect\n0.887340 0.155997 0.092545 Cr\n0.112660 0.155997 0.592545 Cr\n0.638378 0.189479 0.117006 Cr\n0.722794 0.821494 0.918734 Cr\n0.277206 0.821494 0.418734 Cr\n0.627909 0.216233 0.614639 Cr\n0.361622 0.189479 0.617006 Cr\n0.372091 0.216233 0.114639 Cr\n0.767834 0.548788 0.417626 Cr\n0.232166 0.548788 0.917626 Cr\n0.128526 0.191535 0.099610 Cr\n0.963296 0.816824 0.410826 Cr\n0.455476 0.556866 0.317356 Cr\n0.871474 0.191535 0.599610 Cr\n0.036704 0.816824 0.910826 Cr\n0.544524 0.556866 0.817356 Cr\n0.239137 0.324583 0.362685 Si\n0.998726 0.322677 0.855091 Si\n0.001274 0.322677 0.355091 Si\n0.505040 0.065925 0.873297 Si\n0.494960 0.065925 0.373297 Si\n0.760863 0.324583 0.862685 Si\n0.739018 0.059255 0.353336 Si\n0.260982 0.059255 0.853336 Si\n0.121985 0.802478 0.222550 Br\n0.121638 0.744206 0.568930 Br\n0.368478 0.578297 0.705974 Br\n0.631522 0.578297 0.205974 Br\n0.386987 0.644854 0.053393 Br\n0.878015 0.802478 0.722550 Br\n0.878362 0.744206 0.068930 Br\n0.613013 0.644854 0.553393 Br\n0.226589 0.167294 0.720003 O\n0.263400 0.131381 0.464385 O\n0.021624 0.127534 0.958089 O\n0.000146 0.253238 0.710392 O\n0.804131 0.854052 0.389027 O\n0.195869 0.854052 0.889027 O\n0.504784 0.149097 0.016873 O\n0.119155 0.379027 0.396306 O\n0.384918 0.024023 0.827574 O\n0.252821 0.226748 0.968325 O\n0.978376 0.127534 0.458089 O\n0.880845 0.379027 0.896306 O\n0.243652 0.255733 0.218376 O\n0.615082 0.024023 0.327574 O\n0.688890 0.519960 0.892726 O\n0.455239 0.248559 0.276053 O\n0.311110 0.519960 0.392726 O\n0.999854 0.253238 0.210392 O\n0.925288 0.511388 0.389194 O\n0.773411 0.167294 0.220003 O\n0.747179 0.226748 0.468325 O\n0.756348 0.255733 0.718376 O\n0.426856 0.859973 0.356482 O\n0.074712 0.511388 0.889194 O\n0.495216 0.149097 0.516873 O\n0.544761 0.248559 0.776053 O\n0.736600 0.131381 0.964385 O\n0.573144 0.859973 0.856482 O\n",
"nsites": 60,
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"elements": [
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],
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"density": 3.883844879186213,
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"volume": 916.5980798802259,
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"formula_full": "Cr16 Si8 Br8 O28",
"formula_reduced": "Cr4Si2Br2O7",
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"energy": -489.87079395000006,
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"updated_at": "2021-11-28T01:36:09.846000Z",
"spacegroup": 7
},
{
"id": "mp-26967",
"created_at": "2022-09-04T14:47:44.285743Z",
"structure_string": "Li4 Cr16 P12 O48\n1.0\n6.296163 0.000000 0.000000\n0.000000 10.359418 0.000000\n0.000000 0.000000 14.638328\nLi Cr P O\n4 16 12 48\ndirect\n0.566062 0.728578 0.250000 Li\n0.433938 0.271422 0.750000 Li\n0.066062 0.771422 0.250000 Li\n0.933938 0.228578 0.750000 Li\n0.428510 0.153390 0.368504 Cr\n0.428510 0.153390 0.131496 Cr\n0.349120 0.562037 0.415485 Cr\n0.349120 0.562037 0.084515 Cr\n0.150880 0.062037 0.915485 Cr\n0.150880 0.062037 0.584515 Cr\n0.071490 0.653390 0.868504 Cr\n0.071490 0.653390 0.631496 Cr\n0.928510 0.346610 0.368504 Cr\n0.928510 0.346610 0.131496 Cr\n0.849120 0.937963 0.415485 Cr\n0.849120 0.937963 0.084515 Cr\n0.650880 0.437963 0.915485 Cr\n0.650880 0.437963 0.584515 Cr\n0.571490 0.846610 0.868504 Cr\n0.571490 0.846610 0.631496 Cr\n0.493320 0.591874 0.750000 P\n0.641870 0.135848 0.572668 P\n0.641870 0.135848 0.927332 P\n0.858130 0.635848 0.072668 P\n0.858130 0.635848 0.427332 P\n0.006680 0.091874 0.250000 P\n0.993320 0.908126 0.750000 P\n0.141870 0.364152 0.572668 P\n0.141870 0.364152 0.927332 P\n0.358130 0.864152 0.072668 P\n0.358130 0.864152 0.427332 P\n0.506680 0.408126 0.250000 P\n0.588160 0.653182 0.662114 O\n0.304753 0.762781 0.353838 O\n0.304753 0.762781 0.146162 O\n0.243680 0.613061 0.750000 O\n0.256320 0.113061 0.250000 O\n0.195247 0.262781 0.853838 O\n0.195247 0.262781 0.646162 O\n0.164853 0.952588 0.452619 O\n0.470874 0.037178 0.890049 O\n0.470874 0.037178 0.609951 O\n0.453150 0.552284 0.250000 O\n0.442910 0.792850 0.988286 O\n0.335147 0.452588 0.952619 O\n0.442910 0.792850 0.511714 O\n0.411840 0.346818 0.162114 O\n0.411840 0.346818 0.337886 O\n0.529126 0.962822 0.109951 O\n0.529126 0.962822 0.390049 O\n0.546850 0.447716 0.750000 O\n0.557090 0.207150 0.011714 O\n0.557090 0.207150 0.488286 O\n0.335147 0.452588 0.547381 O\n0.588160 0.653182 0.837886 O\n0.664853 0.547412 0.047381 O\n0.664853 0.547412 0.452619 O\n0.695247 0.237219 0.646162 O\n0.695247 0.237219 0.853838 O\n0.756320 0.386939 0.250000 O\n0.743680 0.886939 0.750000 O\n0.804753 0.737219 0.146162 O\n0.804753 0.737219 0.353838 O\n0.835147 0.047412 0.547381 O\n0.835147 0.047412 0.952619 O\n0.911840 0.153182 0.162114 O\n0.911840 0.153182 0.337886 O\n0.942910 0.707150 0.511714 O\n0.942910 0.707150 0.988286 O\n0.953150 0.947716 0.250000 O\n0.970874 0.462822 0.609951 O\n0.970874 0.462822 0.890049 O\n0.029126 0.537178 0.109951 O\n0.029126 0.537178 0.390049 O\n0.164853 0.952588 0.047381 O\n0.057090 0.292850 0.011714 O\n0.057090 0.292850 0.488286 O\n0.088160 0.846818 0.662114 O\n0.088160 0.846818 0.837886 O\n0.046850 0.052284 0.750000 O\n",
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"elements": [
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],
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"density": 3.4772575276384647,
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"volume": 954.7788588393103,
"volume_molar": 7.187265853253121,
"formula_full": "Li4 Cr16 P12 O48",
"formula_reduced": "LiCr4(PO4)3",
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"updated_at": "2021-11-28T01:38:24.126000Z",
"spacegroup": 62
},
{
"id": "mp-1003641",
"created_at": "2022-09-04T14:42:59.216850Z",
"structure_string": "Mg8 Mn16 O32\n1.0\n5.691713 0.000000 0.000000\n0.000000 11.270925 0.000000\n0.000000 10.715773 11.623513\nMg Mn O\n8 16 32\ndirect\n0.113620 0.388317 0.174142 Mg\n0.388969 0.745343 0.075301 Mg\n0.388969 0.254657 0.424699 Mg\n0.113620 0.611683 0.325858 Mg\n0.611031 0.745343 0.575301 Mg\n0.886380 0.388317 0.674142 Mg\n0.886380 0.611683 0.825858 Mg\n0.611031 0.254657 0.924699 Mg\n0.877212 0.729752 0.936856 Mn\n0.380634 0.692897 0.931873 Mn\n0.872869 0.913683 0.140560 Mn\n0.379352 0.917124 0.149960 Mn\n0.379352 0.082876 0.350040 Mn\n0.872869 0.086317 0.359440 Mn\n0.380634 0.307103 0.568127 Mn\n0.877212 0.270248 0.563144 Mn\n0.122788 0.729752 0.436856 Mn\n0.619366 0.692897 0.431873 Mn\n0.127131 0.913683 0.640560 Mn\n0.620648 0.917124 0.649960 Mn\n0.127131 0.086317 0.859440 Mn\n0.620648 0.082876 0.850040 Mn\n0.122788 0.270248 0.063144 Mn\n0.619366 0.307103 0.068127 Mn\n0.113328 0.267760 0.658905 O\n0.645652 0.266027 0.660141 O\n0.118330 0.952761 0.382009 O\n0.632401 0.931862 0.400050 O\n0.118330 0.047239 0.117991 O\n0.632401 0.068138 0.099950 O\n0.113328 0.732240 0.841095 O\n0.645652 0.733973 0.839859 O\n0.354348 0.266027 0.160141 O\n0.886672 0.267760 0.158905 O\n0.367599 0.931862 0.900050 O\n0.881670 0.952761 0.882009 O\n0.881670 0.047239 0.617991 O\n0.367599 0.068138 0.599950 O\n0.886672 0.732240 0.341095 O\n0.354348 0.733973 0.339859 O\n0.850882 0.621759 0.552074 O\n0.385111 0.637493 0.540654 O\n0.386468 0.807119 0.637802 O\n0.858174 0.780331 0.656050 O\n0.385111 0.362507 0.959346 O\n0.850882 0.378241 0.947926 O\n0.858174 0.219669 0.843950 O\n0.386468 0.192881 0.862198 O\n0.149118 0.621759 0.052074 O\n0.614889 0.637493 0.040654 O\n0.141826 0.780331 0.156050 O\n0.613532 0.807119 0.137802 O\n0.149118 0.378241 0.447926 O\n0.614889 0.362507 0.459346 O\n0.141826 0.219669 0.343950 O\n0.613532 0.192881 0.362198 O\n",
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"formula_full": "Mg8 Mn16 O32",
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{
"id": "mp-779350",
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"structure_string": "Li4 Cr16 P12 O48\n1.0\n6.460777 0.000000 0.000000\n0.000000 9.974603 0.000000\n0.000000 0.000000 16.344092\nLi Cr P O\n4 16 12 48\ndirect\n0.000000 0.282909 0.471569 Li\n0.000000 0.717091 0.528431 Li\n0.500000 0.782909 0.028431 Li\n0.500000 0.217091 0.971569 Li\n0.000000 0.542120 0.098303 Cr\n0.000000 0.981183 0.144058 Cr\n0.000000 0.018817 0.855943 Cr\n0.000000 0.457880 0.901697 Cr\n0.248941 0.753983 0.295388 Cr\n0.248941 0.246017 0.704612 Cr\n0.251059 0.253983 0.204612 Cr\n0.251059 0.746017 0.795388 Cr\n0.500000 0.957880 0.598303 Cr\n0.500000 0.481183 0.355942 Cr\n0.500000 0.042120 0.401697 Cr\n0.500000 0.518817 0.644057 Cr\n0.748941 0.253983 0.204612 Cr\n0.748941 0.746017 0.795388 Cr\n0.751059 0.753983 0.295388 Cr\n0.751059 0.246017 0.704612 Cr\n0.000000 0.214922 0.027435 P\n0.000000 0.045746 0.335467 P\n0.000000 0.465621 0.289876 P\n0.000000 0.534379 0.710124 P\n0.000000 0.954254 0.664533 P\n0.000000 0.785078 0.972565 P\n0.500000 0.965621 0.210124 P\n0.500000 0.714922 0.472565 P\n0.500000 0.285078 0.527435 P\n0.500000 0.034379 0.789876 P\n0.500000 0.545746 0.164533 P\n0.500000 0.454254 0.835467 P\n0.000000 0.369222 0.013679 O\n0.000000 0.116742 0.245398 O\n0.000000 0.398591 0.199252 O\n0.000000 0.848663 0.056879 O\n0.000000 0.621291 0.276314 O\n0.000000 0.109626 0.682134 O\n0.000000 0.890374 0.317866 O\n0.000000 0.378709 0.723686 O\n0.000000 0.151337 0.943121 O\n0.000000 0.601409 0.800748 O\n0.000000 0.883258 0.754602 O\n0.000000 0.630778 0.986321 O\n0.192565 0.091049 0.380905 O\n0.192565 0.908951 0.619095 O\n0.195373 0.414748 0.331176 O\n0.195373 0.585252 0.668824 O\n0.198285 0.174961 0.076428 O\n0.198285 0.825039 0.923572 O\n0.301715 0.325039 0.576428 O\n0.301715 0.674961 0.423572 O\n0.304627 0.914748 0.168824 O\n0.304627 0.085252 0.831176 O\n0.307435 0.408951 0.880905 O\n0.307435 0.591049 0.119095 O\n0.500000 0.348663 0.443121 O\n0.500000 0.869222 0.486321 O\n0.500000 0.130778 0.513679 O\n0.500000 0.651337 0.556879 O\n0.500000 0.878709 0.776314 O\n0.500000 0.609626 0.817866 O\n0.500000 0.616742 0.254602 O\n0.500000 0.898591 0.300748 O\n0.500000 0.101409 0.699252 O\n0.500000 0.390374 0.182134 O\n0.500000 0.121291 0.223686 O\n0.500000 0.383258 0.745398 O\n0.692565 0.591049 0.119095 O\n0.692565 0.408951 0.880905 O\n0.695373 0.914748 0.168824 O\n0.695373 0.085252 0.831176 O\n0.698285 0.674961 0.423572 O\n0.698285 0.325039 0.576428 O\n0.801715 0.174961 0.076428 O\n0.801715 0.825039 0.923572 O\n0.804627 0.414748 0.331176 O\n0.804627 0.585252 0.668824 O\n0.807435 0.091049 0.380905 O\n0.807435 0.908951 0.619095 O\n",
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"formula_full": "Li4 Cr16 P12 O48",
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},
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"structure_string": "Li4 Cr16 P12 O48\n1.0\n6.515196 0.000000 0.000000\n0.000000 10.100476 0.000000\n0.000000 0.000000 15.807462\nLi Cr P O\n4 16 12 48\ndirect\n0.750000 0.252572 0.721152 Li\n0.250000 0.247428 0.221152 Li\n0.750000 0.752572 0.778848 Li\n0.250000 0.747428 0.278848 Li\n0.250000 0.036599 0.627173 Cr\n0.750000 0.069219 0.122727 Cr\n0.498205 0.246642 0.951661 Cr\n0.001795 0.246642 0.951661 Cr\n0.501795 0.253358 0.451661 Cr\n0.998205 0.253358 0.451661 Cr\n0.250000 0.430781 0.622727 Cr\n0.750000 0.463401 0.127173 Cr\n0.250000 0.536599 0.872827 Cr\n0.750000 0.569219 0.377273 Cr\n0.001795 0.746642 0.548339 Cr\n0.498205 0.746642 0.548339 Cr\n0.501795 0.753358 0.048339 Cr\n0.998205 0.753358 0.048339 Cr\n0.250000 0.930781 0.877273 Cr\n0.750000 0.963401 0.372827 Cr\n0.750000 0.028300 0.565870 P\n0.250000 0.042890 0.060918 P\n0.250000 0.208318 0.769316 P\n0.750000 0.291682 0.269316 P\n0.750000 0.457110 0.560918 P\n0.250000 0.471700 0.065870 P\n0.750000 0.528300 0.934130 P\n0.250000 0.542890 0.439082 P\n0.250000 0.708318 0.730684 P\n0.750000 0.791682 0.230684 P\n0.750000 0.957110 0.939082 P\n0.250000 0.971700 0.434130 P\n0.250000 0.054242 0.763783 O\n0.559312 0.062162 0.616000 O\n0.940688 0.062162 0.616000 O\n0.060147 0.094374 0.105501 O\n0.439853 0.094374 0.105501 O\n0.250000 0.103001 0.965628 O\n0.750000 0.111330 0.950894 O\n0.750000 0.111515 0.478209 O\n0.250000 0.121185 0.464434 O\n0.550290 0.241548 0.312634 O\n0.949710 0.241548 0.312634 O\n0.250000 0.249138 0.674086 O\n0.750000 0.250862 0.174086 O\n0.050290 0.258452 0.812634 O\n0.449710 0.258452 0.812634 O\n0.750000 0.378815 0.964434 O\n0.250000 0.388485 0.978209 O\n0.250000 0.388670 0.450894 O\n0.750000 0.396999 0.465628 O\n0.939853 0.405626 0.605501 O\n0.560147 0.405626 0.605501 O\n0.059312 0.437838 0.116000 O\n0.440688 0.437838 0.116000 O\n0.750000 0.445758 0.263783 O\n0.250000 0.554242 0.736217 O\n0.559312 0.562162 0.884000 O\n0.940688 0.562162 0.884000 O\n0.060147 0.594374 0.394499 O\n0.439853 0.594374 0.394499 O\n0.250000 0.603001 0.534372 O\n0.750000 0.611330 0.549106 O\n0.750000 0.611515 0.021791 O\n0.250000 0.621185 0.035566 O\n0.550290 0.741548 0.187366 O\n0.949710 0.741548 0.187366 O\n0.250000 0.749138 0.825914 O\n0.750000 0.750862 0.325914 O\n0.050290 0.758452 0.687366 O\n0.449710 0.758452 0.687366 O\n0.750000 0.878815 0.535566 O\n0.250000 0.888485 0.521791 O\n0.250000 0.888670 0.049106 O\n0.750000 0.896999 0.034372 O\n0.560147 0.905626 0.894499 O\n0.939853 0.905626 0.894499 O\n0.059312 0.937838 0.384000 O\n0.440688 0.937838 0.384000 O\n0.750000 0.945758 0.236217 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.191597948112896,
"density_atomic": 0.07690569728020706,
"volume": 1040.235025872255,
"volume_molar": 7.8305521866062024,
"formula_full": "Li4 Cr16 P12 O48",
"formula_reduced": "LiCr4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -659.53030269,
"energy_per_atom": -8.244128783625,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -594.57030269,
"band_gap": 1.0675,
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"is_magnetic": true,
"total_magnetization": 63.9995261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.069000Z",
"spacegroup": 62
},
{
"id": "mp-685233",
"created_at": "2022-09-04T14:40:57.039133Z",
"structure_string": "Li6 Mn20 O40\n1.0\n5.036454 -0.013397 2.913836\n1.674246 4.735483 2.899879\n-0.219059 -0.248886 29.531694\nLi Mn O\n6 20 40\ndirect\n0.142321 0.136122 0.617087 Li\n0.872406 0.873924 0.175949 Li\n0.854479 0.875152 0.379044 Li\n0.862567 0.884211 0.573802 Li\n0.883452 0.883855 0.769767 Li\n0.856994 0.872333 0.979668 Li\n0.157583 0.102484 0.227490 Mn\n0.391430 0.444982 0.043721 Mn\n0.507884 0.487387 0.107504 Mn\n0.510861 0.491679 0.201156 Mn\n0.160775 0.115808 0.421522 Mn\n0.507884 0.967206 0.107504 Mn\n0.506483 0.498478 0.302022 Mn\n0.509352 0.501707 0.397447 Mn\n0.506483 0.984931 0.302022 Mn\n0.502472 0.500710 0.500050 Mn\n0.008990 0.504359 0.696458 Mn\n0.511717 0.506829 0.594925 Mn\n0.502472 0.996566 0.500050 Mn\n0.504025 0.506113 0.696151 Mn\n0.022259 0.515197 0.889469 Mn\n0.504025 0.009108 0.696151 Mn\n0.517111 0.025816 0.888437 Mn\n0.511068 0.511320 0.793258 Mn\n0.517111 0.514887 0.888437 Mn\n0.546039 0.567540 0.963776 Mn\n0.246175 0.200482 0.065771 O\n0.279349 0.227980 0.152938 O\n0.246175 0.724490 0.065771 O\n0.703964 0.237911 0.064043 O\n0.278133 0.242358 0.252320 O\n0.286983 0.719258 0.154900 O\n0.707709 0.277858 0.156318 O\n0.701008 0.740637 0.063543 O\n0.280902 0.249231 0.344127 O\n0.278133 0.717911 0.252320 O\n0.723187 0.250694 0.255085 O\n0.707709 0.732842 0.156318 O\n0.286392 0.247889 0.447978 O\n0.283836 0.737229 0.348341 O\n0.702030 0.748903 0.260033 O\n0.702675 0.288584 0.351055 O\n0.297723 0.257686 0.537381 O\n0.286392 0.725828 0.447978 O\n0.730112 0.260717 0.449691 O\n0.702675 0.753467 0.351055 O\n0.284084 0.741307 0.546660 O\n0.262786 0.265152 0.651696 O\n0.694481 0.289132 0.551798 O\n0.703066 0.750312 0.459262 O\n0.262786 0.713580 0.651696 O\n0.273329 0.273073 0.736105 O\n0.694481 0.757397 0.551798 O\n0.712241 0.270820 0.649224 O\n0.282543 0.282240 0.843478 O\n0.299729 0.745691 0.741778 O\n0.744587 0.299399 0.741519 O\n0.741699 0.739436 0.655886 O\n0.284525 0.284170 0.929427 O\n0.282543 0.717827 0.843478 O\n0.721476 0.282857 0.842562 O\n0.744587 0.748420 0.741519 O\n0.279885 0.781698 0.931344 O\n0.772398 0.285771 0.933238 O\n0.751871 0.750416 0.849459 O\n0.772398 0.775639 0.933238 O\n",
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"elements": [
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"Mn",
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],
"chemical_system": "Li-Mn-O",
"density": 4.161319927097025,
"density_atomic": 0.09289931888045404,
"volume": 710.4465435847923,
"volume_molar": 6.482438012004688,
"formula_full": "Li6 Mn20 O40",
"formula_reduced": "Li3Mn10O20",
"formula_anonymous": "A3B10C20",
"energy": -504.73360014,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:00.635000Z",
"spacegroup": 8
},
{
"id": "mp-1365585",
"created_at": "2022-09-04T14:40:15.108442Z",
"structure_string": "Mg8 Mn16 O32\n1.0\n3.028450 5.222718 0.000000\n-3.028450 5.222718 0.000000\n0.000000 3.477808 19.757573\nMg Mn O\n8 16 32\ndirect\n0.851956 0.851956 0.970545 Mg\n0.375538 0.375538 0.874939 Mg\n0.602853 0.602853 0.718654 Mg\n0.125340 0.125340 0.624613 Mg\n0.874861 0.874861 0.375146 Mg\n0.999274 0.999274 0.499810 Mg\n0.625227 0.625227 0.125380 Mg\n0.750404 0.750404 0.250623 Mg\n0.375746 0.873457 0.874975 Mn\n0.248854 0.248854 0.749375 Mn\n0.873457 0.375746 0.874975 Mn\n0.351851 0.351851 0.465627 Mn\n0.127370 0.626365 0.624499 Mn\n0.899477 0.899477 0.780205 Mn\n0.101154 0.101154 0.218466 Mn\n0.626365 0.127370 0.624499 Mn\n0.874841 0.375005 0.375221 Mn\n0.648351 0.648351 0.532370 Mn\n0.375005 0.874841 0.375221 Mn\n0.121569 0.623808 0.125625 Mn\n0.623808 0.121569 0.125625 Mn\n0.397982 0.397982 0.284073 Mn\n0.501876 0.501876 0.999210 Mn\n0.149791 0.149791 0.031098 Mn\n0.678685 0.226858 0.936221 O\n0.567270 0.567270 0.821848 O\n0.226858 0.678685 0.936221 O\n0.681834 0.681834 0.938540 O\n0.070108 0.070108 0.811769 O\n0.431419 0.978795 0.685818 O\n0.518664 0.072729 0.813693 O\n0.316620 0.316620 0.571618 O\n0.978795 0.431419 0.685818 O\n0.182687 0.182687 0.926311 O\n0.429464 0.429464 0.683975 O\n0.072729 0.518664 0.813693 O\n0.185654 0.724889 0.431997 O\n0.819625 0.819625 0.569714 O\n0.276840 0.813929 0.568913 O\n0.067362 0.067362 0.322081 O\n0.724889 0.185654 0.431997 O\n0.933298 0.933298 0.677553 O\n0.176647 0.176647 0.430901 O\n0.813929 0.276840 0.568913 O\n0.572884 0.572884 0.319537 O\n0.935390 0.472085 0.181241 O\n0.025152 0.563702 0.318462 O\n0.816911 0.816911 0.071873 O\n0.472085 0.935390 0.181241 O\n0.682462 0.682462 0.428552 O\n0.930315 0.930315 0.181648 O\n0.563702 0.025152 0.318462 O\n0.324544 0.324544 0.064707 O\n0.766827 0.320978 0.064012 O\n0.432364 0.432364 0.177886 O\n0.320978 0.766827 0.064012 O\n",
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.212262834750176,
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"volume": 625.0008032694443,
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"formula_full": "Mg8 Mn16 O32",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -446.42274331,
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"updated_at": "2021-11-28T01:34:55.902000Z",
"spacegroup": 8
}
]
}