{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12129","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12127","results":[{"id":"mp-776097","created_at":"2022-09-04T14:40:44.084727Z","structure_string":"Hf12 O24\n1.0\n4.870305 0.000000 0.000000\n0.000000 5.825942 0.000000\n0.000000 0.000000 16.036509\nHf O\n12 24\ndirect\n0.002773 0.346508 0.084101 Hf\n0.000000 0.022097 0.250000 Hf\n0.997227 0.346508 0.415899 Hf\n0.000000 0.977903 0.750000 Hf\n0.002773 0.653492 0.584101 Hf\n0.997227 0.653492 0.915899 Hf\n0.497227 0.153492 0.584101 Hf\n0.500000 0.522097 0.250000 Hf\n0.502773 0.153492 0.915899 Hf\n0.500000 0.477903 0.750000 Hf\n0.502773 0.846508 0.415899 Hf\n0.497227 0.846508 0.084101 Hf\n0.199867 0.631433 0.030756 O\n0.199867 0.368567 0.530756 O\n0.280561 0.190848 0.696221 O\n0.280561 0.809152 0.196221 O\n0.207423 0.067259 0.363291 O\n0.207423 0.932741 0.863291 O\n0.292577 0.567259 0.363291 O\n0.292577 0.432741 0.863291 O\n0.219439 0.309152 0.196221 O\n0.219439 0.690848 0.696221 O\n0.300133 0.131433 0.030756 O\n0.300133 0.868567 0.530756 O\n0.699867 0.868567 0.969244 O\n0.699867 0.131433 0.469244 O\n0.780561 0.309152 0.303779 O\n0.780561 0.690848 0.803779 O\n0.707423 0.432741 0.636709 O\n0.707423 0.567259 0.136709 O\n0.792577 0.932741 0.636709 O\n0.792577 0.067259 0.136709 O\n0.719439 0.190848 0.803779 O\n0.719439 0.809152 0.303779 O\n0.800133 0.368567 0.969244 O\n0.800133 0.631433 0.469244 O\n","nsites":36,"nelements":2,"elements":["Hf","O"],"chemical_system":"Hf-O","density":9.217798009738054,"density_atomic":0.07911709857874688,"volume":455.02174178149943,"volume_molar":7.611680494079341,"formula_full":"Hf12 O24","formula_reduced":"HfO2","formula_anonymous":"AB2","energy":-381.94177607,"energy_per_atom":-10.609493779722222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-365.45377607,"band_gap":4.1383,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006132,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.369000Z","spacegroup":60},{"id":"mp-1233559","created_at":"2022-09-04T14:40:44.089961Z","structure_string":"Mg1 Cr1 F6\n1.0\n4.655221 0.099241 3.190170\n1.722815 4.354042 3.184668\n0.147785 0.097100 5.704857\nMg Cr F\n1 1 6\ndirect\n0.186745 0.186408 0.201099 Mg\n0.004358 0.998774 0.998044 Cr\n0.361655 0.080103 0.804153 F\n0.083136 0.811442 0.356773 F\n0.199811 0.611265 0.966116 F\n0.955682 0.208332 0.615292 F\n0.612788 0.961476 0.205749 F\n0.810111 0.356486 0.078964 F\n","nsites":8,"nelements":3,"elements":["Mg","Cr","F"],"chemical_system":"Cr-F-Mg","density":2.8277561927768904,"density_atomic":0.07159182250618783,"volume":111.74460601709845,"volume_molar":8.411771832571374,"formula_full":"Mg1 Cr1 F6","formula_reduced":"MgCrF6","formula_anonymous":"ABC6","energy":-46.92195186,"energy_per_atom":-5.8652439825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.15095186,"band_gap":1.6591,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.723000Z","spacegroup":1},{"id":"mp-1177563","created_at":"2022-09-04T14:40:52.186159Z","structure_string":"Li12 Mn4 V4 P12 O48\n1.0\n8.656457 0.000000 0.000000\n-4.169100 -7.606313 0.000000\n-4.049927 2.043289 -14.429230\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.755107 0.702276 0.315552 Li\n0.709609 0.815388 0.552178 Li\n0.717057 0.311495 0.051649 Li\n0.250995 0.826966 0.185220 Li\n0.679843 0.787803 0.830750 Li\n0.678835 0.290623 0.327722 Li\n0.222601 0.741515 0.633997 Li\n0.216312 0.228023 0.133125 Li\n0.744470 0.181147 0.816601 Li\n0.250188 0.320222 0.689745 Li\n0.181021 0.641935 0.978624 Li\n0.176057 0.134001 0.479691 Li\n0.859177 0.714836 0.073577 Mn\n0.355516 0.968882 0.819594 Mn\n0.856099 0.218459 0.572420 Mn\n0.136774 0.775241 0.423901 Mn\n0.643740 0.531181 0.681535 V\n0.353974 0.466776 0.319727 V\n0.639248 0.023674 0.179711 V\n0.140207 0.286440 0.923305 V\n0.950280 0.991948 0.733534 P\n0.948717 0.484518 0.233415 P\n0.255695 0.979415 0.021559 P\n0.531787 0.897287 0.375001 P\n0.454255 0.594962 0.123279 P\n0.754284 0.522542 0.476467 P\n0.255444 0.479556 0.524657 P\n0.538870 0.396795 0.875708 P\n0.456822 0.101035 0.627237 P\n0.758554 0.020682 0.979277 P\n0.044976 0.518945 0.764309 P\n0.041210 0.011187 0.265250 P\n0.839625 0.972405 0.241481 O\n0.917620 0.540058 0.133562 O\n0.923901 0.591653 0.303677 O\n0.670858 0.983141 0.470922 O\n0.920430 0.703763 0.468925 O\n0.648990 0.643956 0.123650 O\n0.441956 0.762828 0.145857 O\n0.542058 0.729640 0.349076 O\n0.791783 0.798759 0.726605 O\n0.791902 0.289521 0.223481 O\n0.102972 0.795459 0.036606 O\n0.330945 0.844814 0.369574 O\n0.061101 0.900262 0.194399 O\n0.296207 0.994147 0.539209 O\n0.812845 0.873461 0.996132 O\n0.697514 0.571131 0.555469 O\n0.299504 0.494359 0.031365 O\n0.427121 0.978087 0.705675 O\n0.612269 0.950644 0.882292 O\n0.805540 0.373684 0.491349 O\n0.691744 0.061971 0.055949 O\n0.081564 0.963723 0.365861 O\n0.411321 0.469154 0.198539 O\n0.601059 0.452991 0.380814 O\n0.845360 0.483710 0.739719 O\n0.142853 0.509305 0.261057 O\n0.418541 0.558728 0.615799 O\n0.418115 0.058289 0.113170 O\n0.906615 0.042997 0.633171 O\n0.589910 0.529843 0.804285 O\n0.305066 0.927904 0.939514 O\n0.193760 0.620924 0.509895 O\n0.575063 0.026641 0.301224 O\n0.307707 0.433134 0.443069 O\n0.193941 0.119435 0.005441 O\n0.937500 0.104924 0.807288 O\n0.677336 0.480668 0.972086 O\n0.923494 0.203131 0.975155 O\n0.650104 0.150069 0.624278 O\n0.187272 0.714336 0.761514 O\n0.180921 0.206473 0.263317 O\n0.447191 0.269370 0.650992 O\n0.547486 0.226396 0.851322 O\n0.100497 0.295106 0.537792 O\n0.338504 0.344871 0.867669 O\n0.063370 0.406229 0.693949 O\n0.086839 0.473620 0.864950 O\n0.141828 0.015534 0.753559 O\n","nsites":80,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.877693114934326,"density_atomic":0.08420394951537419,"volume":950.0742003246936,"volume_molar":7.151850708499678,"formula_full":"Li12 Mn4 V4 P12 O48","formula_reduced":"Li3MnV(PO4)3","formula_anonymous":"ABC3D3E12","energy":-607.83771223,"energy_per_atom":-7.597971402874999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-561.38971223,"band_gap":0.5622000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0050351,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.406000Z","spacegroup":1},{"id":"mp-998971","created_at":"2022-09-04T14:40:54.052377Z","structure_string":"Ti1 Fe1 Co1 Si1\n1.0\n0.000000 2.862195 2.862195\n2.862195 0.000000 2.862195\n2.862195 2.862195 0.000000\nTi Fe Co Si\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":4,"elements":["Ti","Fe","Co","Si"],"chemical_system":"Co-Fe-Si-Ti","density":6.753704224267911,"density_atomic":0.08529672165039458,"volume":46.89512003046012,"volume_molar":7.060225344513158,"formula_full":"Ti1 Fe1 Co1 Si1","formula_reduced":"TiFeCoSi","formula_anonymous":"ABCD","energy":-31.45076121,"energy_per_atom":-7.8626903025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.52176121,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0028496,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.064000Z","spacegroup":216},{"id":"mp-1195080","created_at":"2022-09-04T14:40:52.170395Z","structure_string":"Rb4 V8 P4 O44\n1.0\n7.100541 0.000000 0.000000\n0.000000 10.804198 0.000000\n0.000000 0.000000 12.586901\nRb V P O\n4 8 4 44\ndirect\n0.732407 0.763181 0.207161 Rb\n0.767593 0.236819 0.707161 Rb\n0.232407 0.736819 0.792839 Rb\n0.267593 0.263181 0.292839 Rb\n0.781300 0.496755 0.410109 V\n0.718700 0.503245 0.910109 V\n0.281300 0.003245 0.589891 V\n0.218700 0.996755 0.089891 V\n0.980513 0.774579 0.504099 V\n0.519487 0.225421 0.004099 V\n0.480513 0.725421 0.495901 V\n0.019487 0.274579 0.995901 V\n0.760193 0.580914 0.646413 P\n0.739807 0.419086 0.146413 P\n0.260193 0.919086 0.353587 P\n0.239807 0.080914 0.853587 P\n0.074020 0.843394 0.368026 O\n0.425980 0.156606 0.868026 O\n0.574020 0.656606 0.631974 O\n0.925980 0.343394 0.131974 O\n0.553798 0.596911 0.423955 O\n0.946202 0.403089 0.923955 O\n0.053798 0.903089 0.576045 O\n0.446202 0.096911 0.076045 O\n0.864749 0.325190 0.406508 O\n0.635251 0.674810 0.906508 O\n0.364749 0.174810 0.593492 O\n0.135251 0.825190 0.093492 O\n0.749237 0.801012 0.481953 O\n0.750763 0.198988 0.981953 O\n0.249237 0.698988 0.518047 O\n0.250763 0.301012 0.018047 O\n0.931509 0.670067 0.630335 O\n0.568491 0.329933 0.130335 O\n0.431509 0.829933 0.369665 O\n0.068491 0.170067 0.869665 O\n0.728671 0.480179 0.255876 O\n0.771329 0.519821 0.755876 O\n0.228671 0.019821 0.744124 O\n0.271329 0.980179 0.244124 O\n0.748536 0.072316 0.285018 O\n0.751464 0.927684 0.785018 O\n0.248536 0.427684 0.714982 O\n0.251464 0.572316 0.214982 O\n0.677427 0.309758 0.417388 O\n0.822573 0.690242 0.917388 O\n0.177427 0.190242 0.582612 O\n0.322573 0.809758 0.082612 O\n0.756934 0.062277 0.382461 O\n0.743066 0.937723 0.882461 O\n0.256934 0.437723 0.617539 O\n0.243066 0.562277 0.117539 O\n0.770057 0.472958 0.565838 O\n0.729943 0.527042 0.065838 O\n0.270057 0.027042 0.434162 O\n0.229943 0.972958 0.934162 O\n0.948968 0.608565 0.412912 O\n0.551032 0.391435 0.912912 O\n0.448968 0.891435 0.587088 O\n0.051032 0.108565 0.087088 O\n","nsites":60,"nelements":4,"elements":["Rb","V","P","O"],"chemical_system":"O-P-Rb-V","density":2.712394524202893,"density_atomic":0.06213673938741805,"volume":965.612302665326,"volume_molar":9.691755343730527,"formula_full":"Rb4 V8 P4 O44","formula_reduced":"RbV2PO11","formula_anonymous":"ABC2D11","energy":-414.50926536,"energy_per_atom":-6.9084877559999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-393.82526536,"band_gap":0.6071000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0157501,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.639000Z","spacegroup":19},{"id":"mp-561405","created_at":"2022-09-04T14:40:52.182229Z","structure_string":"Sn4 H32 C16 O16\n1.0\n6.121109 0.000000 0.000000\n0.000000 9.399492 0.000000\n0.000000 0.000000 12.986917\nSn H C O\n4 32 16 16\ndirect\n0.105915 0.250000 0.301061 Sn\n0.605915 0.750000 0.198939 Sn\n0.894085 0.750000 0.698939 Sn\n0.394085 0.250000 0.801061 Sn\n0.558554 0.653940 0.811710 H\n0.504380 0.581482 0.421335 H\n0.100772 0.845705 0.530357 H\n0.100772 0.654295 0.530357 H\n0.058554 0.153940 0.688290 H\n0.995620 0.918518 0.921335 H\n0.495620 0.081482 0.578665 H\n0.504380 0.918518 0.421335 H\n0.441446 0.346060 0.188290 H\n0.789898 0.250000 0.889287 H\n0.600772 0.345705 0.969643 H\n0.558554 0.846060 0.811710 H\n0.941446 0.846060 0.311710 H\n0.441446 0.153940 0.188290 H\n0.495620 0.418518 0.578665 H\n0.058554 0.346060 0.688290 H\n0.995620 0.581482 0.921335 H\n0.004380 0.418518 0.078665 H\n0.710102 0.250000 0.389287 H\n0.738469 0.750000 0.895449 H\n0.399228 0.654295 0.030357 H\n0.289898 0.750000 0.610713 H\n0.899228 0.345705 0.469643 H\n0.238469 0.250000 0.604551 H\n0.210102 0.750000 0.110713 H\n0.261531 0.250000 0.104551 H\n0.899228 0.154295 0.469643 H\n0.399228 0.845705 0.030357 H\n0.004380 0.081482 0.078665 H\n0.761531 0.750000 0.395449 H\n0.941446 0.653940 0.311710 H\n0.600772 0.154295 0.969643 H\n0.873801 0.250000 0.423127 C\n0.342329 0.250000 0.179771 C\n0.597022 0.474108 0.636897 C\n0.373801 0.750000 0.076873 C\n0.097022 0.974108 0.863103 C\n0.597022 0.025892 0.636897 C\n0.902978 0.474108 0.136897 C\n0.902978 0.025892 0.136897 C\n0.097022 0.525892 0.863103 C\n0.626199 0.250000 0.923127 C\n0.402978 0.525892 0.363103 C\n0.126199 0.750000 0.576873 C\n0.402978 0.974108 0.363103 C\n0.842329 0.750000 0.320229 C\n0.157671 0.250000 0.679771 C\n0.657671 0.750000 0.820229 C\n0.393859 0.924544 0.272195 O\n0.197293 0.415849 0.894741 O\n0.106141 0.924544 0.772195 O\n0.197293 0.084151 0.894741 O\n0.393859 0.575456 0.272195 O\n0.893859 0.075456 0.227805 O\n0.697293 0.915849 0.605259 O\n0.802707 0.584151 0.105259 O\n0.802707 0.915849 0.105259 O\n0.697293 0.584151 0.605259 O\n0.302707 0.415849 0.394741 O\n0.606141 0.075456 0.727805 O\n0.302707 0.084151 0.394741 O\n0.893859 0.424544 0.227805 O\n0.606141 0.424544 0.727805 O\n0.106141 0.575456 0.772195 O\n","nsites":68,"nelements":4,"elements":["Sn","H","C","O"],"chemical_system":"C-H-O-Sn","density":2.1228932956525997,"density_atomic":0.09100564918413061,"volume":747.2063614690165,"volume_molar":6.617326302255673,"formula_full":"Sn4 H32 C16 O16","formula_reduced":"SnH8(CO)4","formula_anonymous":"AB4C4D8","energy":-400.53263305,"energy_per_atom":-5.890185780147059,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.54063305,"band_gap":4.3629,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007248,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.607000Z","spacegroup":62},{"id":"mp-1213011","created_at":"2022-09-04T14:40:52.189834Z","structure_string":"Er4 Sb4 Ir4\n1.0\n4.479039 0.000000 0.000000\n0.000000 7.129732 0.000000\n0.000000 0.000000 7.986133\nEr Sb Ir\n4 4 4\ndirect\n0.250000 0.512864 0.188650 Er\n0.750000 0.487136 0.811350 Er\n0.750000 0.987136 0.688650 Er\n0.250000 0.012864 0.311350 Er\n0.250000 0.674230 0.586856 Sb\n0.750000 0.325770 0.413144 Sb\n0.750000 0.825770 0.086856 Sb\n0.250000 0.174230 0.913144 Sb\n0.250000 0.786133 0.907675 Ir\n0.750000 0.213867 0.092325 Ir\n0.750000 0.713867 0.407675 Ir\n0.250000 0.286133 0.592325 Ir\n","nsites":12,"nelements":3,"elements":["Er","Sb","Ir"],"chemical_system":"Er-Ir-Sb","density":12.533507034413107,"density_atomic":0.04705292846156751,"volume":255.03194790100076,"volume_molar":12.798652404640109,"formula_full":"Er4 Sb4 Ir4","formula_reduced":"ErSbIr","formula_anonymous":"ABC","energy":-80.81184437,"energy_per_atom":-6.734320364166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.81184437,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001077,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.179000Z","spacegroup":62},{"id":"mp-977195","created_at":"2022-09-04T14:40:52.201086Z","structure_string":"Li6 Er2\n1.0\n3.238799 -5.609765 0.000000\n3.238799 5.609765 0.000000\n0.000000 0.000000 5.047480\nLi Er\n6 2\ndirect\n0.152350 0.304700 0.250000 Li\n0.695300 0.847650 0.250000 Li\n0.152350 0.847650 0.250000 Li\n0.847650 0.695300 0.750000 Li\n0.304700 0.152350 0.750000 Li\n0.847650 0.152350 0.750000 Li\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n","nsites":8,"nelements":2,"elements":["Li","Er"],"chemical_system":"Er-Li","density":3.405595473610445,"density_atomic":0.04361709322697213,"volume":183.41433158716146,"volume_molar":13.806836527740005,"formula_full":"Li6 Er2","formula_reduced":"Li3Er","formula_anonymous":"AB3","energy":-18.88898043,"energy_per_atom":-2.36112255375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.88898043,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3307166,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.199000Z","spacegroup":194},{"id":"mp-1208237","created_at":"2022-09-04T14:40:52.201623Z","structure_string":"Ti10 Mn6\n1.0\n0.000000 0.000000 -5.254802\n-3.586516 -6.212029 0.000000\n-3.586516 6.212029 0.000000\nTi Mn\n10 6\ndirect\n0.000000 0.666667 0.333333 Ti\n0.000000 0.333333 0.666667 Ti\n0.500000 0.333333 0.666667 Ti\n0.500000 0.666667 0.333333 Ti\n0.750000 0.761370 0.761370 Ti\n0.250000 0.238630 0.238630 Ti\n0.750000 0.000000 0.238630 Ti\n0.250000 0.000000 0.761370 Ti\n0.750000 0.238630 0.000000 Ti\n0.250000 0.761370 0.000000 Ti\n0.750000 0.398781 0.398781 Mn\n0.250000 0.601219 0.601219 Mn\n0.750000 0.000000 0.601219 Mn\n0.250000 0.000000 0.398781 Mn\n0.750000 0.601219 0.000000 Mn\n0.250000 0.398781 0.000000 Mn\n","nsites":16,"nelements":2,"elements":["Ti","Mn"],"chemical_system":"Mn-Ti","density":5.7322899196248125,"density_atomic":0.06833251153199041,"volume":234.14915742573686,"volume_molar":8.812994905332417,"formula_full":"Ti10 Mn6","formula_reduced":"Ti5Mn3","formula_anonymous":"A3B5","energy":-134.75158381,"energy_per_atom":-8.421973988125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.75158381,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6716598,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.740000Z","spacegroup":193},{"id":"mp-1222261","created_at":"2022-09-04T14:40:52.207288Z","structure_string":"Mg3 Al8 Fe1 Si10 O36\n1.0\n8.665504 4.926099 0.000000\n-8.665504 4.926099 0.000000\n0.000000 0.004934 9.439809\nMg Al Fe Si O\n3 8 1 10 36\ndirect\n0.337480 0.662520 0.000000 Mg\n0.662510 0.337490 0.000000 Mg\n0.662539 0.337461 0.500000 Mg\n0.742374 0.642135 0.249878 Al\n0.257341 0.357413 0.249481 Al\n0.642587 0.742659 0.750519 Al\n0.357865 0.257626 0.750122 Al\n0.999963 0.500069 0.000023 Al\n0.499931 0.000037 0.999977 Al\n0.999152 0.499840 0.499868 Al\n0.500160 0.000848 0.500132 Al\n0.338245 0.661755 0.500000 Fe\n0.500036 0.499964 0.000000 Si\n0.500643 0.499357 0.500000 Si\n0.371600 0.101190 0.249977 Si\n0.628815 0.898985 0.249469 Si\n0.101015 0.371185 0.750531 Si\n0.898810 0.628400 0.750023 Si\n0.112500 0.729611 0.249471 Si\n0.887150 0.270649 0.250020 Si\n0.729351 0.112850 0.749980 Si\n0.270389 0.887500 0.750529 Si\n0.936297 0.693333 0.249565 O\n0.063408 0.306757 0.250014 O\n0.693243 0.936592 0.749986 O\n0.306667 0.063703 0.750435 O\n0.349728 0.856500 0.891736 O\n0.650241 0.143453 0.891592 O\n0.856547 0.349759 0.108408 O\n0.143500 0.650272 0.108264 O\n0.650476 0.143694 0.608440 O\n0.349946 0.859599 0.608507 O\n0.140401 0.650054 0.391493 O\n0.856306 0.349524 0.391560 O\n0.242432 0.914472 0.249926 O\n0.757769 0.085628 0.249917 O\n0.914372 0.242231 0.750083 O\n0.085528 0.757568 0.750074 O\n0.135779 0.482832 0.891982 O\n0.864191 0.517088 0.891966 O\n0.482912 0.135809 0.108034 O\n0.517168 0.864221 0.108018 O\n0.863966 0.517059 0.608235 O\n0.133837 0.481189 0.607960 O\n0.518811 0.866163 0.392040 O\n0.482941 0.136034 0.391765 O\n0.293005 0.205272 0.249892 O\n0.706879 0.794493 0.250040 O\n0.205507 0.293121 0.749960 O\n0.794728 0.706995 0.750108 O\n0.478143 0.353749 0.901206 O\n0.521858 0.646309 0.901269 O\n0.353691 0.478142 0.098731 O\n0.646251 0.521857 0.098794 O\n0.524421 0.645845 0.599054 O\n0.478220 0.353350 0.599015 O\n0.646650 0.521780 0.400985 O\n0.354155 0.475579 0.400946 O\n","nsites":58,"nelements":5,"elements":["Mg","Al","Fe","Si","O"],"chemical_system":"Al-Fe-Mg-O-Si","density":2.475500865959815,"density_atomic":0.07196773392353356,"volume":805.9167190344715,"volume_molar":8.367834349763722,"formula_full":"Mg3 Al8 Fe1 Si10 O36","formula_reduced":"Mg3Al8Fe(Si5O18)2","formula_anonymous":"AB3C8D10E36","energy":-465.59162594,"energy_per_atom":-8.027441826551724,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-438.60362594,"band_gap":3.9981,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999946,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.848000Z","spacegroup":5},{"id":"mp-1078964","created_at":"2022-09-04T14:40:52.213127Z","structure_string":"Mg6 Au2\n1.0\n2.355376 -4.079631 0.000000\n2.355376 4.079631 0.000000\n0.000000 0.000000 8.548310\nMg Au\n6 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.921709 Mg\n0.666667 0.333333 0.078291 Mg\n0.666667 0.333333 0.421709 Mg\n0.333333 0.666667 0.578291 Mg\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n","nsites":8,"nelements":2,"elements":["Mg","Au"],"chemical_system":"Au-Mg","density":5.455831285087543,"density_atomic":0.04869659546549194,"volume":164.28253194145927,"volume_molar":12.366656647008298,"formula_full":"Mg6 Au2","formula_reduced":"Mg3Au","formula_anonymous":"AB3","energy":-19.29983008,"energy_per_atom":-2.41247876,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.29983008,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011005,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.244000Z","spacegroup":194},{"id":"mp-1183503","created_at":"2022-09-04T14:40:52.215760Z","structure_string":"Ca2 Hg1 Bi1\n1.0\n0.000000 3.898930 3.898930\n3.898930 0.000000 3.898930\n3.898930 3.898930 0.000000\nCa Hg Bi\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Ca","Hg","Bi"],"chemical_system":"Bi-Ca-Hg","density":6.860192525370088,"density_atomic":0.03374377615154539,"volume":118.54037858820992,"volume_molar":17.846671140047256,"formula_full":"Ca2 Hg1 Bi1","formula_reduced":"Ca2HgBi","formula_anonymous":"ABC2","energy":-10.88793958,"energy_per_atom":-2.721984895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.88793958,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0312844,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.286000Z","spacegroup":225}]}