{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=98","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=96","results":[{"id":"mp-1213618","created_at":"2022-09-04T14:40:23.342760Z","structure_string":"Cs4 La4 H16 S8 O32\n1.0\n20.630208 0.000000 0.000000\n0.000000 6.321294 0.000000\n0.000000 0.433701 9.241226\nCs La H S O\n4 4 16 8 32\ndirect\n0.205911 0.862194 0.627540 Cs\n0.794089 0.137806 0.372460 Cs\n0.705911 0.137806 0.872460 Cs\n0.294089 0.862194 0.127540 Cs\n0.360346 0.373913 0.772457 La\n0.639654 0.626087 0.227543 La\n0.860346 0.626087 0.727543 La\n0.139654 0.373913 0.272457 La\n0.004350 0.665978 0.672949 H\n0.995650 0.334022 0.327051 H\n0.504350 0.334022 0.827051 H\n0.495650 0.665978 0.172949 H\n0.105310 0.258337 0.572127 H\n0.894690 0.741663 0.427873 H\n0.605310 0.741663 0.927873 H\n0.394690 0.258337 0.072127 H\n0.444540 0.305678 0.522020 H\n0.555460 0.694322 0.477980 H\n0.944540 0.694322 0.977980 H\n0.055460 0.305678 0.022020 H\n0.100783 0.874797 0.863944 H\n0.899217 0.125203 0.136056 H\n0.600783 0.125203 0.636056 H\n0.399217 0.874797 0.363944 H\n0.217792 0.378352 0.898692 S\n0.782208 0.621648 0.101308 S\n0.717792 0.621648 0.601308 S\n0.282208 0.378352 0.398692 S\n0.427260 0.810771 0.775914 S\n0.572740 0.189229 0.224086 S\n0.927260 0.189229 0.724086 S\n0.072740 0.810771 0.275914 S\n0.411899 0.657055 0.903175 O\n0.588101 0.342945 0.096825 O\n0.911899 0.342945 0.596825 O\n0.088101 0.657055 0.403175 O\n0.160568 0.406539 0.809087 O\n0.839432 0.593461 0.190913 O\n0.660568 0.593461 0.690913 O\n0.339432 0.406539 0.309087 O\n0.298580 0.361642 0.557103 O\n0.701420 0.638358 0.442897 O\n0.798580 0.638358 0.942897 O\n0.201420 0.361642 0.057103 O\n0.756998 0.814812 0.635312 O\n0.243002 0.185188 0.364688 O\n0.256998 0.185188 0.864688 O\n0.743002 0.814812 0.135312 O\n0.265412 0.560740 0.874753 O\n0.734588 0.439260 0.125247 O\n0.765412 0.439260 0.625247 O\n0.234588 0.560740 0.374753 O\n0.387007 0.008103 0.795418 O\n0.612993 0.991897 0.204582 O\n0.887007 0.991897 0.704582 O\n0.112993 0.008103 0.295418 O\n0.495231 0.860740 0.763483 O\n0.504769 0.139260 0.236517 O\n0.995231 0.139260 0.736517 O\n0.004769 0.860740 0.263483 O\n0.400236 0.700875 0.646815 O\n0.599764 0.299125 0.353185 O\n0.900236 0.299125 0.853185 O\n0.099764 0.700875 0.146815 O\n","nsites":64,"nelements":5,"elements":["Cs","La","H","S","O"],"chemical_system":"Cs-H-La-O-S","density":2.579205512256135,"density_atomic":0.053105657032970814,"volume":1205.1446790360847,"volume_molar":11.339923270813006,"formula_full":"Cs4 La4 H16 S8 O32","formula_reduced":"CsLaH4(SO4)2","formula_anonymous":"ABC2D4E8","energy":-351.28645488,"energy_per_atom":-5.4888508575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.30245488,"band_gap":2.744,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9998551,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.428000Z","spacegroup":14},{"id":"mp-756800","created_at":"2022-09-04T14:40:23.355813Z","structure_string":"Li3 Cr1 Cu4 O8\n1.0\n2.829241 5.466134 0.000000\n-2.829241 5.466134 0.000000\n0.000000 2.681556 4.919749\nLi Cr Cu O\n3 1 4 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.288373 0.288373 0.246557 O\n0.231891 0.703916 0.769358 O\n0.703916 0.231891 0.769358 O\n0.799423 0.799423 0.239384 O\n0.200577 0.200577 0.760616 O\n0.296084 0.768109 0.230642 O\n0.768109 0.296084 0.230642 O\n0.711627 0.711627 0.753443 O\n","nsites":16,"nelements":4,"elements":["Li","Cr","Cu","O"],"chemical_system":"Cr-Cu-Li-O","density":4.9651881773357935,"density_atomic":0.10514698490657975,"volume":152.16793913982,"volume_molar":5.727354679119433,"formula_full":"Li3 Cr1 Cu4 O8","formula_reduced":"Li3Cr(CuO2)4","formula_anonymous":"AB3C4D8","energy":-95.85426464,"energy_per_atom":-5.99089154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.35926464,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5924538,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.242000Z","spacegroup":12},{"id":"mp-1221520","created_at":"2022-09-04T14:40:23.360193Z","structure_string":"Mn1 Zn1 Cd1 Te3\n1.0\n-2.254087 2.259918 9.572860\n2.254087 -2.259918 9.572860\n2.254087 2.259918 -9.572860\nMn Zn Cd Te\n1 1 1 3\ndirect\n0.670366 0.670366 0.000000 Mn\n0.330824 0.330824 0.000000 Zn\n0.998670 0.998670 0.000000 Cd\n0.752067 0.252067 0.500000 Te\n0.089731 0.589731 0.500000 Te\n0.408345 0.908345 0.500000 Te\n","nsites":6,"nelements":4,"elements":["Mn","Zn","Cd","Te"],"chemical_system":"Cd-Mn-Te-Zn","density":5.240262645769927,"density_atomic":0.030759990424398222,"volume":195.05857827708937,"volume_molar":19.577836913835174,"formula_full":"Mn1 Zn1 Cd1 Te3","formula_reduced":"MnZnCdTe3","formula_anonymous":"ABCD3","energy":-24.03642989,"energy_per_atom":-4.006071648333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.77042989,"band_gap":0.4060999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.0015196,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.565000Z","spacegroup":44},{"id":"mp-19218","created_at":"2022-09-04T14:40:23.366066Z","structure_string":"Sr3 Fe2 O5\n1.0\n3.484763 -0.000001 -0.575506\n-0.121717 3.952346 -0.737019\n0.016671 -0.006149 10.939248\nSr Fe O\n3 2 5\ndirect\n0.311670 0.311653 0.623299 Sr\n0.688332 0.688347 0.376702 Sr\n0.500001 0.500000 0.000000 Sr\n0.096844 0.096915 0.193849 Fe\n0.903149 0.903085 0.806150 Fe\n0.193178 0.193108 0.386410 O\n0.806821 0.806890 0.613589 O\n0.096171 0.596149 0.192372 O\n0.903833 0.403852 0.807628 O\n0.000004 0.999999 0.999999 O\n","nsites":10,"nelements":3,"elements":["Sr","Fe","O"],"chemical_system":"Fe-O-Sr","density":5.008984521498442,"density_atomic":0.06636235606779754,"volume":150.687838596082,"volume_molar":9.074633748457666,"formula_full":"Sr3 Fe2 O5","formula_reduced":"Sr3Fe2O5","formula_anonymous":"A2B3C5","energy":-71.16014958,"energy_per_atom":-7.116014957999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.21314958000001,"band_gap":0.6448999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000812,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.214000Z","spacegroup":71},{"id":"mp-865437","created_at":"2022-09-04T14:40:23.370369Z","structure_string":"Lu2 Zn1 Ru1\n1.0\n0.000000 3.407733 3.407733\n3.407733 0.000000 3.407733\n3.407733 3.407733 0.000000\nLu Zn Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Lu","Zn","Ru"],"chemical_system":"Lu-Ru-Zn","density":10.834767304363002,"density_atomic":0.05053977636602351,"volume":79.1455817103514,"volume_molar":11.915645839795442,"formula_full":"Lu2 Zn1 Ru1","formula_reduced":"Lu2ZnRu","formula_anonymous":"ABC2","energy":-21.34069889,"energy_per_atom":-5.3351747225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.34069889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009047,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.299000Z","spacegroup":225},{"id":"mp-724325","created_at":"2022-09-04T14:40:23.332742Z","structure_string":"Fe4 P12 O36\n1.0\n9.450701 0.000000 0.000000\n-3.002208 8.967417 0.000000\n-3.230710 -3.634896 8.345084\nFe P O\n4 12 36\ndirect\n0.694606 0.892919 0.793682 Fe\n0.224128 0.740999 0.272574 Fe\n0.305394 0.107081 0.206318 Fe\n0.775872 0.259001 0.727426 Fe\n0.799711 0.067193 0.169702 P\n0.432355 0.296189 0.591476 P\n0.567645 0.703811 0.408524 P\n0.093097 0.184033 0.921190 P\n0.841090 0.491778 0.098443 P\n0.158910 0.508222 0.901557 P\n0.666305 0.431923 0.306346 P\n0.906903 0.815967 0.078810 P\n0.200289 0.932807 0.830298 P\n0.333695 0.568077 0.693654 P\n0.608804 0.002351 0.351010 P\n0.391196 0.997649 0.648990 P\n0.139823 0.172010 0.082116 O\n0.813174 0.481830 0.454314 O\n0.365928 0.983581 0.798284 O\n0.860177 0.827990 0.917884 O\n0.425006 0.965461 0.309541 O\n0.724236 0.037635 0.993487 O\n0.674739 0.762815 0.585845 O\n0.838680 0.909944 0.179536 O\n0.186826 0.518170 0.545686 O\n0.984668 0.426999 0.765339 O\n0.275764 0.962365 0.006513 O\n0.382714 0.653267 0.352757 O\n0.736387 0.142605 0.506329 O\n0.574994 0.034539 0.690459 O\n0.094127 0.873697 0.181644 O\n0.634072 0.016419 0.201716 O\n0.509966 0.272736 0.238765 O\n0.015332 0.573001 0.234661 O\n0.325261 0.237185 0.414155 O\n0.806294 0.360932 0.949057 O\n0.802195 0.632975 0.050079 O\n0.617286 0.346733 0.647243 O\n0.161320 0.090056 0.820464 O\n0.363676 0.155411 0.649544 O\n0.193706 0.639068 0.050943 O\n0.937407 0.221396 0.292576 O\n0.299814 0.579631 0.852157 O\n0.062593 0.778604 0.707424 O\n0.593039 0.568317 0.302443 O\n0.490034 0.727264 0.761235 O\n0.700186 0.420369 0.147843 O\n0.197805 0.367025 0.949921 O\n0.905873 0.126303 0.818356 O\n0.263613 0.857395 0.493671 O\n0.406961 0.431683 0.697557 O\n0.636324 0.844589 0.350456 O\n","nsites":52,"nelements":3,"elements":["Fe","P","O"],"chemical_system":"Fe-O-P","density":2.7495399875466595,"density_atomic":0.07352605117737548,"volume":707.2323233374022,"volume_molar":8.190485771460903,"formula_full":"Fe4 P12 O36","formula_reduced":"Fe(PO3)3","formula_anonymous":"AB3C9","energy":-402.4984990100001,"energy_per_atom":-7.740355750192309,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-368.74249901,"band_gap":0.5290000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.9991374,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.644000Z","spacegroup":2},{"id":"mp-1222637","created_at":"2022-09-04T14:40:23.337631Z","structure_string":"Mg20 Ti2 Sn2 B8 O40\n1.0\n6.151147 0.000000 0.000000\n3.062421 9.406512 0.000000\n3.019644 0.047216 12.473465\nMg Ti Sn B O\n20 2 2 8 40\ndirect\n0.897452 0.999968 0.717327 Mg\n0.102548 0.000032 0.282673 Mg\n0.753882 0.994780 0.499342 Mg\n0.246118 0.005220 0.500658 Mg\n0.760109 0.001202 0.999070 Mg\n0.239891 0.998798 0.000930 Mg\n0.752024 0.499841 0.499825 Mg\n0.247976 0.500159 0.500175 Mg\n0.599013 0.495038 0.780992 Mg\n0.400987 0.504962 0.219008 Mg\n0.757093 0.487959 0.997682 Mg\n0.242907 0.512041 0.002318 Mg\n0.393044 0.000485 0.717790 Mg\n0.606956 0.999515 0.282210 Mg\n0.891598 0.504802 0.219396 Mg\n0.108402 0.495198 0.780604 Mg\n0.172403 0.763868 0.880124 Mg\n0.827597 0.236132 0.119876 Mg\n0.939034 0.738617 0.381843 Mg\n0.060966 0.261383 0.618157 Mg\n0.436146 0.739182 0.386943 Ti\n0.563854 0.260818 0.613057 Ti\n0.673012 0.760062 0.883964 Sn\n0.326988 0.239938 0.116036 Sn\n0.455850 0.230647 0.859213 B\n0.544150 0.769353 0.140787 B\n0.819131 0.722985 0.636659 B\n0.180869 0.277015 0.363341 B\n0.960726 0.221228 0.858294 B\n0.039274 0.778772 0.141706 B\n0.313970 0.727828 0.640407 B\n0.686030 0.272172 0.359593 B\n0.485957 0.612107 0.921847 O\n0.514043 0.387893 0.078153 O\n0.949834 0.854520 0.237726 O\n0.050166 0.145480 0.762274 O\n0.242712 0.875441 0.642362 O\n0.757288 0.124559 0.357638 O\n0.950999 0.149380 0.956330 O\n0.049001 0.850620 0.043670 O\n0.864086 0.898409 0.856331 O\n0.135914 0.101591 0.143669 O\n0.401537 0.654127 0.541444 O\n0.598463 0.345873 0.458556 O\n0.580382 0.883112 0.423619 O\n0.419618 0.116888 0.576381 O\n0.455141 0.842551 0.238833 O\n0.544859 0.157449 0.761167 O\n0.300641 0.648846 0.734110 O\n0.699359 0.351154 0.265890 O\n0.746902 0.869763 0.642107 O\n0.253098 0.130237 0.357893 O\n0.375289 0.376867 0.860304 O\n0.624711 0.623133 0.139696 O\n0.746607 0.611035 0.357673 O\n0.253393 0.388965 0.642327 O\n0.715710 0.389597 0.642300 O\n0.284290 0.610403 0.357700 O\n0.891409 0.117421 0.576613 O\n0.108591 0.882579 0.423387 O\n0.906095 0.646745 0.541772 O\n0.093905 0.353255 0.458228 O\n0.453707 0.149216 0.953702 O\n0.546293 0.850784 0.046298 O\n0.371943 0.898237 0.856753 O\n0.628057 0.101763 0.143247 O\n0.882177 0.369520 0.853909 O\n0.117823 0.630480 0.146091 O\n0.971822 0.612694 0.921649 O\n0.028178 0.387306 0.078351 O\n0.802760 0.644319 0.733546 O\n0.197240 0.355681 0.266454 O\n","nsites":72,"nelements":5,"elements":["Mg","Ti","Sn","B","O"],"chemical_system":"B-Mg-O-Sn-Ti","density":3.5563748412354195,"density_atomic":0.09976097014839314,"volume":721.725138527632,"volume_molar":6.036569964227637,"formula_full":"Mg20 Ti2 Sn2 B8 O40","formula_reduced":"Mg10TiSn(BO5)4","formula_anonymous":"ABC4D10E20","energy":-524.90067895,"energy_per_atom":-7.290287207638889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-497.42067895,"band_gap":3.2487,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042985,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.503000Z","spacegroup":2},{"id":"mp-775227","created_at":"2022-09-04T14:40:23.338702Z","structure_string":"Li8 Fe10 Co4 O24\n1.0\n8.916391 0.000000 0.000000\n0.000000 5.228267 0.000000\n0.000000 1.581299 9.682575\nLi Fe Co O\n8 10 4 24\ndirect\n0.903471 0.016640 0.746932 Li\n0.917088 0.486950 0.257622 Li\n0.583882 0.761031 0.503124 Li\n0.589982 0.498102 0.256164 Li\n0.403471 0.983360 0.253068 Li\n0.417088 0.513050 0.742378 Li\n0.083882 0.238969 0.496876 Li\n0.089982 0.501898 0.743836 Li\n0.918826 0.255757 0.002623 Fe\n0.921667 0.750642 0.497338 Fe\n0.751505 0.996914 0.256816 Fe\n0.578999 0.240645 0.997015 Fe\n0.744371 0.510194 0.740603 Fe\n0.421667 0.249358 0.502662 Fe\n0.418826 0.744243 0.997377 Fe\n0.251505 0.003086 0.743184 Fe\n0.244371 0.489806 0.259397 Fe\n0.078999 0.759355 0.002985 Fe\n0.747897 0.245355 0.505537 Co\n0.746289 0.756480 0.993166 Co\n0.246289 0.243520 0.006834 Co\n0.247897 0.754645 0.494463 Co\n0.895552 0.125717 0.389694 O\n0.909444 0.893323 0.112974 O\n0.753448 0.153835 0.880208 O\n0.767698 0.852132 0.626598 O\n0.900848 0.381888 0.617892 O\n0.916831 0.611527 0.880498 O\n0.763660 0.651318 0.365554 O\n0.596843 0.136177 0.385684 O\n0.581404 0.887103 0.121159 O\n0.747624 0.352470 0.123639 O\n0.596995 0.385303 0.608781 O\n0.395552 0.874283 0.610306 O\n0.409444 0.106677 0.887026 O\n0.580476 0.596493 0.881319 O\n0.267698 0.147868 0.373402 O\n0.400848 0.618112 0.382108 O\n0.416831 0.388473 0.119502 O\n0.253448 0.846165 0.119792 O\n0.247624 0.647530 0.876361 O\n0.263660 0.348682 0.634446 O\n0.096843 0.863823 0.614316 O\n0.081404 0.112897 0.878841 O\n0.096995 0.614697 0.391219 O\n0.080476 0.403507 0.118681 O\n","nsites":46,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.538576447873613,"density_atomic":0.10191077374433145,"volume":451.37524041768586,"volume_molar":5.909228768204664,"formula_full":"Li8 Fe10 Co4 O24","formula_reduced":"Li4Fe5(CoO6)2","formula_anonymous":"A2B4C5D12","energy":-325.96625127000004,"energy_per_atom":-7.086222853695653,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.36625127,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.9999709,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.388000Z","spacegroup":4},{"id":"mp-763017","created_at":"2022-09-04T14:40:23.347955Z","structure_string":"Fe8 O12 F4\n1.0\n3.199848 -3.439136 0.000000\n3.199848 3.439136 0.000000\n0.000000 0.000000 12.043453\nFe O F\n8 12 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.988036 0.011964 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.011964 0.988036 0.750000 Fe\n0.472079 0.527921 0.625015 Fe\n0.527921 0.472079 0.125015 Fe\n0.472079 0.527921 0.874985 Fe\n0.527921 0.472079 0.374985 Fe\n0.180784 0.819216 0.621534 O\n0.180784 0.819216 0.878466 O\n0.317660 0.296081 0.250000 O\n0.307645 0.307645 0.500000 O\n0.307645 0.307645 0.000000 O\n0.296081 0.317660 0.750000 O\n0.692355 0.692355 0.500000 O\n0.682340 0.703919 0.750000 O\n0.692355 0.692355 0.000000 O\n0.703919 0.682340 0.250000 O\n0.819216 0.180784 0.121534 O\n0.819216 0.180784 0.378466 O\n0.201100 0.798900 0.126630 F\n0.201100 0.798900 0.373370 F\n0.798900 0.201100 0.626630 F\n0.798900 0.201100 0.873370 F\n","nsites":24,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.47755949257367,"density_atomic":0.09054230049252347,"volume":265.06947437216706,"volume_molar":6.651190357701678,"formula_full":"Fe8 O12 F4","formula_reduced":"Fe2O3F","formula_anonymous":"AB2C3","energy":-154.66595304999998,"energy_per_atom":-6.444414710416666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.52595305,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006984,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.470000Z","spacegroup":63},{"id":"mp-560453","created_at":"2022-09-04T14:40:23.357407Z","structure_string":"Ca7 Cu1 Pt2 O12\n1.0\n4.713178 4.626267 0.000000\n-4.713178 4.626267 0.000000\n0.000000 0.119380 6.556306\nCa Cu Pt O\n7 1 2 12\ndirect\n0.111644 0.888356 0.000000 Ca\n0.757301 0.616181 0.367495 Ca\n0.246760 0.390732 0.136399 Ca\n0.904972 0.095028 0.500000 Ca\n0.383819 0.242699 0.632505 Ca\n0.752515 0.247485 0.000000 Ca\n0.609268 0.753240 0.863601 Ca\n0.310652 0.689348 0.500000 Cu\n0.489072 0.003430 0.249643 Pt\n0.996570 0.510928 0.750357 Pt\n0.522472 0.905848 0.543763 O\n0.701018 0.427669 0.697308 O\n0.094152 0.477528 0.456237 O\n0.922922 0.552411 0.050941 O\n0.447589 0.077078 0.949059 O\n0.292529 0.595025 0.793421 O\n0.196209 0.076775 0.312412 O\n0.572331 0.298982 0.302692 O\n0.404975 0.707471 0.206579 O\n0.059676 0.211571 0.817182 O\n0.788429 0.940324 0.182818 O\n0.923225 0.803791 0.687588 O\n","nsites":22,"nelements":4,"elements":["Ca","Cu","Pt","O"],"chemical_system":"Ca-Cu-O-Pt","density":5.3795368250157285,"density_atomic":0.07694651135100063,"volume":285.91289733259504,"volume_molar":7.826398694710527,"formula_full":"Ca7 Cu1 Pt2 O12","formula_reduced":"Ca7Cu(PtO6)2","formula_anonymous":"AB2C7D12","energy":-144.33058692,"energy_per_atom":-6.560481223636364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.08658692,"band_gap":0.5033999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000624,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.561000Z","spacegroup":5},{"id":"mp-758933","created_at":"2022-09-04T14:40:23.449122Z","structure_string":"B48 O6\n1.0\n5.308397 7.390862 0.000000\n-5.308397 7.390862 0.000000\n0.000000 0.236271 5.136514\nB O\n48 6\ndirect\n0.100798 0.100798 0.122577 B\n0.000355 0.000355 0.664457 B\n0.503093 0.996276 0.164534 B\n0.668645 0.996290 0.330043 B\n0.166843 0.000379 0.831083 B\n0.338346 0.102088 0.361158 B\n0.500814 0.167013 0.331393 B\n0.000379 0.166843 0.831083 B\n0.102088 0.338346 0.361158 B\n0.599224 0.102038 0.622355 B\n0.899330 0.162122 0.140128 B\n0.393614 0.176393 0.642510 B\n0.497614 0.331552 0.163029 B\n0.996276 0.503093 0.164534 B\n0.661761 0.400814 0.141575 B\n0.176393 0.393614 0.642510 B\n0.167013 0.500814 0.331393 B\n0.331552 0.497614 0.163029 B\n0.837878 0.100670 0.859872 B\n0.499868 0.499868 0.335264 B\n0.996290 0.668645 0.330043 B\n0.897962 0.400776 0.377645 B\n0.393666 0.393666 0.859919 B\n0.599186 0.338239 0.858425 B\n0.102038 0.599224 0.622355 B\n0.606334 0.606334 0.140081 B\n0.400814 0.661761 0.141575 B\n0.003710 0.331355 0.669957 B\n0.500132 0.500132 0.664736 B\n0.162122 0.899330 0.140128 B\n0.668448 0.502386 0.836971 B\n0.832987 0.499186 0.668607 B\n0.823607 0.606386 0.357490 B\n0.338239 0.599186 0.858425 B\n0.003724 0.496907 0.835466 B\n0.502386 0.668448 0.836971 B\n0.400776 0.897962 0.377645 B\n0.100670 0.837878 0.859872 B\n0.606386 0.823607 0.357490 B\n0.897912 0.661654 0.638842 B\n0.499186 0.832987 0.668607 B\n0.999621 0.833157 0.168917 B\n0.661654 0.897912 0.638842 B\n0.331355 0.003710 0.669957 B\n0.833157 0.999621 0.168917 B\n0.496907 0.003724 0.835466 B\n0.999645 0.999645 0.335543 B\n0.899202 0.899202 0.877423 B\n0.190427 0.190427 0.239143 O\n0.810102 0.310577 0.258960 O\n0.689423 0.189898 0.741040 O\n0.310577 0.810102 0.258960 O\n0.189898 0.689423 0.741040 O\n0.809573 0.809573 0.760857 O\n","nsites":54,"nelements":2,"elements":["B","O"],"chemical_system":"B-O","density":2.5334589006884882,"density_atomic":0.13397902086894622,"volume":403.0481761231931,"volume_molar":4.494838610509518,"formula_full":"B48 O6","formula_reduced":"B8O","formula_anonymous":"AB8","energy":-382.71731362,"energy_per_atom":-7.08735765962963,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-378.59531362,"band_gap":2.3536,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.52e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.587000Z","spacegroup":12},{"id":"mp-1185684","created_at":"2022-09-04T14:40:23.370894Z","structure_string":"Mg16 Al12 O1\n1.0\n-5.298935 5.298935 5.298935\n5.298935 -5.298935 5.298935\n5.298935 5.298935 -5.298935\nMg Al O\n16 12 1\ndirect\n0.783302 0.000000 0.000000 Mg\n0.216698 0.216698 0.216698 Mg\n0.723354 0.300527 0.300527 Mg\n0.276646 0.577174 0.577174 Mg\n0.000000 0.000000 0.783302 Mg\n0.000000 0.699473 0.422826 Mg\n0.577174 0.577174 0.276646 Mg\n0.422826 0.000000 0.699473 Mg\n0.699473 0.422826 0.000000 Mg\n0.300527 0.723354 0.300527 Mg\n0.300527 0.300527 0.723354 Mg\n0.699473 0.000000 0.422826 Mg\n0.422826 0.699473 0.000000 Mg\n0.577174 0.276646 0.577174 Mg\n0.000000 0.422826 0.699473 Mg\n0.000000 0.783302 0.000000 Mg\n0.196862 0.808346 0.808346 Al\n0.803138 0.611484 0.611484 Al\n0.611484 0.803138 0.611484 Al\n0.388516 0.191654 0.000000 Al\n0.000000 0.388516 0.191654 Al\n0.808346 0.196862 0.808346 Al\n0.191654 0.388516 0.000000 Al\n0.191654 0.000000 0.388516 Al\n0.808346 0.808346 0.196862 Al\n0.000000 0.191654 0.388516 Al\n0.388516 0.000000 0.191654 Al\n0.611484 0.611484 0.803138 Al\n0.000000 0.000000 0.000000 O\n","nsites":29,"nelements":3,"elements":["Mg","Al","O"],"chemical_system":"Al-Mg-O","density":2.033044971020174,"density_atomic":0.048727286793192756,"volume":595.1490819318782,"volume_molar":12.358867395098423,"formula_full":"Mg16 Al12 O1","formula_reduced":"Mg16Al12O","formula_anonymous":"AB12C16","energy":-79.39087574999999,"energy_per_atom":-2.7376164051724134,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.70387575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0083899,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.330000Z","spacegroup":217}]}