{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12188","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12186","results":[{"id":"mp-554354","created_at":"2022-09-04T14:44:30.044841Z","structure_string":"Mn2 Rh4 O8\n1.0\n5.366422 0.000000 3.098305\n1.788807 5.059511 3.098305\n-1.788807 -5.059511 3.098306\nMn Rh O\n2 4 8\ndirect\n0.875000 0.750000 0.875000 Mn\n0.125000 0.250000 0.125000 Mn\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.500000 Rh\n0.736849 0.473697 0.736849 O\n0.736849 0.026303 0.736849 O\n0.736849 0.026303 0.289454 O\n0.263151 0.973697 0.710546 O\n0.263151 0.526303 0.263151 O\n0.289454 0.473697 0.736849 O\n0.263151 0.973697 0.263151 O\n0.710546 0.526303 0.263151 O\n","nsites":14,"nelements":3,"elements":["Mn","Rh","O"],"chemical_system":"Mn-O-Rh","density":6.410267702792093,"density_atomic":0.0832109415639551,"volume":168.24710473008815,"volume_molar":7.23719819390752,"formula_full":"Mn2 Rh4 O8","formula_reduced":"Mn(RhO2)2","formula_anonymous":"AB2C4","energy":-106.64603201,"energy_per_atom":-7.617573715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.81403201,"band_gap":0.9305000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.993000Z","spacegroup":227},{"id":"mp-1033938","created_at":"2022-09-04T14:44:40.915818Z","structure_string":"Cs1 K1 Mg14 O15\n1.0\n8.634828 0.000000 0.000000\n0.000000 8.963529 0.000000\n0.000000 0.000000 4.513565\nCs K Mg O\n1 1 14 15\ndirect\n0.113433 0.500000 0.000000 Cs\n0.984311 0.000000 0.000000 K\n0.497419 0.000000 0.000000 Mg\n0.518897 0.500000 0.000000 Mg\n0.992101 0.246309 0.500000 Mg\n0.992101 0.753691 0.500000 Mg\n0.497810 0.250532 0.500000 Mg\n0.497810 0.749468 0.500000 Mg\n0.246289 0.000000 0.500000 Mg\n0.265081 0.500000 0.500000 Mg\n0.741036 0.000000 0.500000 Mg\n0.761106 0.500000 0.500000 Mg\n0.244742 0.215942 0.000000 Mg\n0.244742 0.784058 -0.000000 Mg\n0.753814 0.259513 0.000000 Mg\n0.753814 0.740487 0.000000 Mg\n0.272499 0.000000 0.000000 O\n0.715389 0.000000 0.000000 O\n0.740503 0.500000 0.000000 O\n0.247469 0.257246 0.500000 O\n0.247469 0.742754 0.500000 O\n0.742747 0.249817 0.500000 O\n0.742747 0.750183 0.500000 O\n0.009347 0.000000 0.500000 O\n0.994467 0.500000 0.500000 O\n0.490596 0.000000 0.500000 O\n0.492016 0.500000 0.500000 O\n0.993752 0.257368 0.000000 O\n0.993752 0.742632 0.000000 O\n0.481371 0.268026 0.000000 O\n0.481371 0.731974 0.000000 O\n","nsites":31,"nelements":4,"elements":["Cs","K","Mg","O"],"chemical_system":"Cs-K-Mg-O","density":3.5757520006044143,"density_atomic":0.08873792591370278,"volume":349.3433014216194,"volume_molar":6.786433982980969,"formula_full":"Cs1 K1 Mg14 O15","formula_reduced":"CsKMg14O15","formula_anonymous":"ABC14D15","energy":-176.59829834,"energy_per_atom":-5.696719301290323,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.29329834,"band_gap":3.9046,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.005000Z","spacegroup":25},{"id":"mp-971683","created_at":"2022-09-04T14:44:30.739489Z","structure_string":"C9 N12\n1.0\n2.357947 -4.084083 0.000000\n2.357947 4.084083 0.000000\n0.000000 0.000000 10.188959\nC N\n9 12\ndirect\n0.836721 0.971838 0.321840 C\n0.308024 0.444391 0.332977 C\n0.837705 0.446328 0.345024 C\n0.553672 0.391377 0.678358 C\n0.028162 0.864883 0.655174 C\n0.555609 0.863633 0.666311 C\n0.136367 0.691976 0.999644 C\n0.608623 0.162295 0.011691 C\n0.135117 0.163279 0.988507 C\n0.869030 0.025537 0.626964 N\n0.393484 0.551456 0.705562 N\n0.874630 0.544267 0.667063 N\n0.455733 0.330363 0.000396 N\n0.974463 0.843494 0.960298 N\n0.448544 0.842028 0.038896 N\n0.157972 0.606516 0.372229 N\n0.669637 0.125370 0.333730 N\n0.156506 0.130970 0.293631 N\n0.662670 0.621698 0.333804 N\n0.378302 0.040972 0.667137 N\n0.959028 0.337330 0.000470 N\n","nsites":21,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":2.336940872720853,"density_atomic":0.10701160693566814,"volume":196.24039486319003,"volume_molar":5.627558479352912,"formula_full":"C9 N12","formula_reduced":"C3N4","formula_anonymous":"A3B4","energy":-180.54072234,"energy_per_atom":-8.597177254285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.20872234,"band_gap":1.9701000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.441000Z","spacegroup":144},{"id":"mp-1202534","created_at":"2022-09-04T14:44:25.538054Z","structure_string":"Ca20 Ag2 P14 O56\n1.0\n12.921443 -5.273476 0.000000\n12.921443 5.273476 0.000000\n10.769241 0.000000 8.876749\nCa Ag P O\n20 2 14 56\ndirect\n0.001474 0.001474 0.001474 Ca\n0.501474 0.501474 0.501474 Ca\n0.939288 0.928321 0.344649 Ca\n0.928321 0.344649 0.939288 Ca\n0.344649 0.939288 0.928321 Ca\n0.428321 0.439288 0.844649 Ca\n0.439288 0.844649 0.428321 Ca\n0.844649 0.428321 0.439288 Ca\n0.151581 0.591277 0.568565 Ca\n0.591277 0.568565 0.151581 Ca\n0.568565 0.151581 0.591277 Ca\n0.091277 0.651581 0.068565 Ca\n0.651581 0.068565 0.091277 Ca\n0.068565 0.091277 0.651581 Ca\n0.942672 0.533261 0.554784 Ca\n0.533261 0.554784 0.942672 Ca\n0.554784 0.942672 0.533261 Ca\n0.033261 0.442672 0.054784 Ca\n0.442672 0.054784 0.033261 Ca\n0.054784 0.033261 0.442672 Ca\n0.322265 0.322265 0.322265 Ag\n0.822265 0.822265 0.822265 Ag\n0.735221 0.735221 0.735221 P\n0.235221 0.235221 0.235221 P\n0.314398 0.818904 0.278099 P\n0.818904 0.278099 0.314398 P\n0.278099 0.314398 0.818904 P\n0.318904 0.814398 0.778099 P\n0.814398 0.778099 0.318904 P\n0.778099 0.318904 0.814398 P\n0.233694 0.678729 0.195684 P\n0.678729 0.195684 0.233694 P\n0.195684 0.233694 0.678729 P\n0.178729 0.733694 0.695684 P\n0.733694 0.695684 0.178729 P\n0.695684 0.178729 0.733694 P\n0.693768 0.693768 0.693768 O\n0.193768 0.193768 0.193768 O\n0.892200 0.741175 0.611300 O\n0.741175 0.611300 0.892200 O\n0.611300 0.892200 0.741175 O\n0.241175 0.392200 0.111300 O\n0.392200 0.111300 0.241175 O\n0.111300 0.241175 0.392200 O\n0.373266 0.643630 0.362548 O\n0.643630 0.362548 0.373266 O\n0.362548 0.373266 0.643630 O\n0.143630 0.873266 0.862548 O\n0.873266 0.862548 0.143630 O\n0.862548 0.143630 0.873266 O\n0.409174 0.859395 0.106173 O\n0.859395 0.106173 0.409174 O\n0.106173 0.409174 0.859395 O\n0.359395 0.909174 0.606173 O\n0.909174 0.606173 0.359395 O\n0.606173 0.359395 0.909174 O\n0.337504 0.880095 0.316296 O\n0.880095 0.316296 0.337504 O\n0.316296 0.337504 0.880095 O\n0.380095 0.837504 0.816296 O\n0.837504 0.816296 0.380095 O\n0.816296 0.380095 0.837504 O\n0.143564 0.887312 0.330243 O\n0.887312 0.330243 0.143564 O\n0.330243 0.143564 0.887312 O\n0.387312 0.643564 0.830243 O\n0.643564 0.830243 0.387312 O\n0.830243 0.387312 0.643564 O\n0.397812 0.661347 0.109791 O\n0.661347 0.109791 0.397812 O\n0.109791 0.397812 0.661347 O\n0.161347 0.897812 0.609791 O\n0.897812 0.609791 0.161347 O\n0.609791 0.161347 0.897812 O\n0.139551 0.853673 0.130310 O\n0.853673 0.130310 0.139551 O\n0.130310 0.139551 0.853673 O\n0.353673 0.639551 0.630310 O\n0.639551 0.630310 0.353673 O\n0.630310 0.353673 0.639551 O\n0.160563 0.621817 0.368216 O\n0.621817 0.368216 0.160563 O\n0.368216 0.160563 0.621817 O\n0.121817 0.660563 0.868216 O\n0.660563 0.868216 0.121817 O\n0.868216 0.121817 0.660563 O\n0.240154 0.594412 0.154842 O\n0.594412 0.154842 0.240154 O\n0.154842 0.240154 0.594412 O\n0.094412 0.740154 0.654842 O\n0.740154 0.654842 0.094412 O\n0.654842 0.094412 0.740154 O\n","nsites":92,"nelements":4,"elements":["Ca","Ag","P","O"],"chemical_system":"Ag-Ca-O-P","density":3.221446463145088,"density_atomic":0.07604941923166494,"volume":1209.7396788757285,"volume_molar":7.9187202490726465,"formula_full":"Ca20 Ag2 P14 O56","formula_reduced":"Ca10Ag(PO4)7","formula_anonymous":"AB7C10D28","energy":-694.95542725,"energy_per_atom":-7.553863339673913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-656.48342725,"band_gap":3.7416,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.695000Z","spacegroup":161},{"id":"mp-1199914","created_at":"2022-09-04T14:44:54.905568Z","structure_string":"Mn8 Se8 O24\n1.0\n8.435391 0.000000 0.000000\n0.000000 5.361043 0.000000\n0.000000 2.195511 13.847595\nMn Se O\n8 8 24\ndirect\n0.580475 0.083857 0.600999 Mn\n0.080475 0.916143 0.899001 Mn\n0.419525 0.916143 0.399001 Mn\n0.919525 0.083857 0.100999 Mn\n0.772566 0.472054 0.750821 Mn\n0.272566 0.527946 0.749179 Mn\n0.227434 0.527946 0.249179 Mn\n0.727434 0.472054 0.250821 Mn\n0.783232 0.635031 0.495241 Se\n0.283232 0.364969 0.004759 Se\n0.216768 0.364969 0.504759 Se\n0.716768 0.635031 0.995241 Se\n0.467278 0.016165 0.813545 Se\n0.967278 0.983835 0.686455 Se\n0.532722 0.983835 0.186455 Se\n0.032722 0.016165 0.313545 Se\n0.441060 0.832778 0.723691 O\n0.941060 0.167222 0.776309 O\n0.558940 0.167222 0.276309 O\n0.058940 0.832778 0.223691 O\n0.547672 0.275176 0.740242 O\n0.047672 0.724824 0.759758 O\n0.452328 0.724824 0.259758 O\n0.952328 0.275176 0.240242 O\n0.279592 0.142269 0.823492 O\n0.779592 0.857731 0.676508 O\n0.720408 0.857731 0.176508 O\n0.220408 0.142269 0.323492 O\n0.755640 0.386674 0.590253 O\n0.255640 0.613326 0.909747 O\n0.244360 0.613326 0.409747 O\n0.744360 0.386674 0.090253 O\n0.609867 0.814437 0.497178 O\n0.109867 0.185563 0.002822 O\n0.390133 0.185563 0.502822 O\n0.890133 0.814437 0.997178 O\n0.758871 0.488048 0.397655 O\n0.258871 0.511952 0.102345 O\n0.241129 0.511952 0.602345 O\n0.741129 0.488048 0.897655 O\n","nsites":40,"nelements":3,"elements":["Mn","Se","O"],"chemical_system":"Mn-O-Se","density":3.858637283948259,"density_atomic":0.06387503181759142,"volume":626.2227800406959,"volume_molar":9.428004321308972,"formula_full":"Mn8 Se8 O24","formula_reduced":"MnSeO3","formula_anonymous":"ABC3","energy":-286.01546594,"energy_per_atom":-7.1503866485000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.18346594,"band_gap":3.3754,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.002000Z","spacegroup":14},{"id":"mp-1520602","created_at":"2022-09-04T14:44:30.738461Z","structure_string":"Ba2 Sr2 La2 V2 O12\n1.0\n5.986296 -0.016944 -0.032845\n-0.021312 5.988386 -0.038689\n-0.052141 -0.059349 8.467767\nBa Sr La V O\n2 2 2 2 12\ndirect\n0.505447 0.524173 0.249643 Ba\n0.494553 0.475827 0.750357 Ba\n0.992550 0.036378 0.253696 Sr\n0.007450 0.963622 0.746304 Sr\n0.000000 0.500000 0.000000 La\n0.500000 -0.000000 0.500000 La\n0.500000 -0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.245925 0.191831 0.959601 O\n0.251573 0.694760 0.529837 O\n0.754075 0.808169 0.040399 O\n0.748427 0.305240 0.470163 O\n0.306436 0.747388 0.964260 O\n0.185925 0.238626 0.537137 O\n0.693564 0.252612 0.035740 O\n0.814075 0.761374 0.462863 O\n0.424124 0.996716 0.222360 O\n0.057228 0.473275 0.277370 O\n0.575876 0.003284 0.777640 O\n0.942772 0.526725 0.722630 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","La","V","O"],"chemical_system":"Ba-La-O-Sr-V","density":5.588866603712421,"density_atomic":0.06589188709264518,"volume":303.5275036497231,"volume_molar":9.139426757550233,"formula_full":"Ba2 Sr2 La2 V2 O12","formula_reduced":"BaSrLaVO6","formula_anonymous":"ABCDE6","energy":-156.38494397,"energy_per_atom":-7.819247198499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.74094397,"band_gap":1.8488,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.370000Z","spacegroup":2},{"id":"mp-2168","created_at":"2022-09-04T14:44:52.947799Z","structure_string":"Sn2 Se2\n1.0\n2.144740 -6.006044 0.000000\n2.144740 6.006044 0.000000\n0.000000 0.000000 4.300997\nSn Se\n2 2\ndirect\n0.127194 0.872806 0.750000 Sn\n0.872806 0.127194 0.250000 Sn\n0.355413 0.644587 0.750000 Se\n0.644587 0.355413 0.250000 Se\n","nsites":4,"nelements":2,"elements":["Sn","Se"],"chemical_system":"Se-Sn","density":5.924579875502122,"density_atomic":0.03609920976017285,"volume":110.80574967081627,"volume_molar":16.68219553837448,"formula_full":"Sn2 Se2","formula_reduced":"SnSe","formula_anonymous":"AB","energy":-17.62667579,"energy_per_atom":-4.4066689475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.68267579,"band_gap":0.4851999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.343000Z","spacegroup":63},{"id":"mp-768088","created_at":"2022-09-04T14:44:54.376463Z","structure_string":"Mn4 Si8 O22\n1.0\n7.154552 0.000000 0.000000\n-2.557770 7.149983 0.000000\n-1.941255 -1.788666 8.034961\nMn Si O\n4 8 22\ndirect\n0.135943 0.369658 0.611226 Mn\n0.639783 0.374951 0.610671 Mn\n0.360217 0.625049 0.389329 Mn\n0.864057 0.630342 0.388774 Mn\n0.765964 0.618851 0.975491 Si\n0.048369 0.790521 0.779623 Si\n0.480111 0.786060 0.785081 Si\n0.222951 0.019043 0.394845 Si\n0.777049 0.980957 0.605155 Si\n0.519889 0.213940 0.214919 Si\n0.951631 0.209479 0.220377 Si\n0.234036 0.381149 0.024509 Si\n0.195855 0.421767 0.840110 O\n0.610805 0.738595 0.945123 O\n0.676055 0.418880 0.836562 O\n0.982847 0.759177 0.947107 O\n0.293681 0.841168 0.821846 O\n0.620465 0.966007 0.721335 O\n0.393255 0.597530 0.625041 O\n0.341322 0.204109 0.554501 O\n0.844692 0.197217 0.567668 O\n0.993351 0.962820 0.706461 O\n0.913370 0.594059 0.625729 O\n0.086630 0.405941 0.374271 O\n0.006649 0.037180 0.293539 O\n0.155308 0.802783 0.432332 O\n0.658678 0.795891 0.445499 O\n0.606745 0.402470 0.374959 O\n0.379535 0.033993 0.278665 O\n0.706319 0.158832 0.178154 O\n0.017153 0.240823 0.052893 O\n0.323945 0.581120 0.163438 O\n0.389195 0.261405 0.054877 O\n0.804145 0.578233 0.159890 O\n","nsites":34,"nelements":3,"elements":["Mn","Si","O"],"chemical_system":"Mn-O-Si","density":3.2175229495939024,"density_atomic":0.0827194599107564,"volume":411.02782871988774,"volume_molar":7.280198355377455,"formula_full":"Mn4 Si8 O22","formula_reduced":"Mn2Si4O11","formula_anonymous":"A2B4C11","energy":-284.44647731,"energy_per_atom":-8.366072862058823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.66047731,"band_gap":1.0968999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.170000Z","spacegroup":2},{"id":"mp-1211541","created_at":"2022-09-04T14:44:52.509931Z","structure_string":"Li24 Sm4 B12 O36\n1.0\n16.594935 0.000000 0.000000\n0.000000 6.789635 0.000000\n0.000000 1.983548 7.048731\nLi Sm B O\n24 4 12 36\ndirect\n0.966135 0.946150 0.193309 Li\n0.033865 0.053850 0.806691 Li\n0.466135 0.553850 0.806691 Li\n0.533865 0.446150 0.193309 Li\n0.554349 0.911241 0.637253 Li\n0.445651 0.088759 0.362747 Li\n0.054349 0.588759 0.362747 Li\n0.945651 0.411241 0.637253 Li\n0.469978 0.831322 0.043034 Li\n0.530022 0.168678 0.956966 Li\n0.969978 0.668678 0.956966 Li\n0.030022 0.331322 0.043034 Li\n0.706853 0.865189 0.790499 Li\n0.293147 0.134811 0.209501 Li\n0.206853 0.634811 0.209501 Li\n0.793147 0.365189 0.790499 Li\n0.796600 0.955035 0.060735 Li\n0.203400 0.044965 0.939265 Li\n0.296600 0.544965 0.939265 Li\n0.703400 0.455035 0.060735 Li\n0.995657 0.822925 0.574389 Li\n0.004343 0.177075 0.425611 Li\n0.495657 0.677075 0.425611 Li\n0.504343 0.322925 0.574389 Li\n0.689910 0.652624 0.422177 Sm\n0.310090 0.347376 0.577823 Sm\n0.189910 0.847376 0.577823 Sm\n0.810090 0.152624 0.422177 Sm\n0.881002 0.000704 0.790669 B\n0.118998 0.999296 0.209331 B\n0.381002 0.499296 0.209331 B\n0.618998 0.500704 0.790669 B\n0.615265 0.812535 0.059132 B\n0.384735 0.187465 0.940868 B\n0.115265 0.687465 0.940868 B\n0.884735 0.312535 0.059132 B\n0.865910 0.662107 0.418259 B\n0.134090 0.337893 0.581741 B\n0.365910 0.837893 0.581741 B\n0.634090 0.162107 0.418259 B\n0.947664 0.675257 0.414270 O\n0.052336 0.324743 0.585730 O\n0.447664 0.824743 0.585730 O\n0.552336 0.175257 0.414270 O\n0.697944 0.774564 0.076475 O\n0.302056 0.225436 0.923525 O\n0.197944 0.725436 0.923525 O\n0.802056 0.274564 0.076475 O\n0.816670 0.833275 0.351839 O\n0.183330 0.166725 0.648161 O\n0.316670 0.666725 0.648161 O\n0.683330 0.333275 0.351839 O\n0.568471 0.729767 0.220604 O\n0.431529 0.270233 0.779396 O\n0.068471 0.770233 0.779396 O\n0.931529 0.229767 0.220604 O\n0.413876 0.586113 0.034541 O\n0.586124 0.413887 0.965459 O\n0.913876 0.913887 0.965459 O\n0.086124 0.086113 0.034541 O\n0.579007 0.925278 0.894248 O\n0.420993 0.074722 0.105752 O\n0.079007 0.574722 0.105752 O\n0.920993 0.425278 0.894248 O\n0.427602 0.457162 0.374658 O\n0.572398 0.542838 0.625342 O\n0.927602 0.042838 0.625342 O\n0.072398 0.957162 0.374658 O\n0.672906 0.974885 0.498424 O\n0.327094 0.025115 0.501576 O\n0.172906 0.525115 0.501576 O\n0.827094 0.474885 0.498424 O\n0.200491 0.944675 0.232584 O\n0.799509 0.055325 0.767416 O\n0.700491 0.555325 0.767416 O\n0.299509 0.444675 0.232584 O\n","nsites":76,"nelements":4,"elements":["Li","Sm","B","O"],"chemical_system":"B-Li-O-Sm","density":3.081310031857016,"density_atomic":0.09569311054302777,"volume":794.2055553291593,"volume_molar":6.2931811139028495,"formula_full":"Li24 Sm4 B12 O36","formula_reduced":"Li6Sm(BO3)3","formula_anonymous":"AB3C6D9","energy":-537.1317413099999,"energy_per_atom":-7.0675229119736835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-512.39974131,"band_gap":4.6432,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.398000Z","spacegroup":14},{"id":"mp-757594","created_at":"2022-09-04T14:44:25.836638Z","structure_string":"Os6 O12 F24\n1.0\n2.510581 -4.348453 0.000000\n2.510581 4.348453 0.000000\n0.000000 0.000000 27.872457\nOs O F\n6 12 24\ndirect\n0.009671 0.465323 0.834684 Os\n0.455652 0.990329 0.501350 Os\n0.465323 0.455652 0.668017 Os\n0.534677 0.544348 0.168017 Os\n0.544348 0.009671 0.001350 Os\n0.990329 0.534677 0.334684 Os\n0.179800 0.736810 0.540160 O\n0.256784 0.738813 0.795162 O\n0.261187 0.517970 0.128496 O\n0.263190 0.442990 0.873493 O\n0.482030 0.743216 0.461829 O\n0.557010 0.820200 0.206827 O\n0.442990 0.179800 0.706827 O\n0.517970 0.256784 0.961829 O\n0.736810 0.557010 0.373493 O\n0.738813 0.482030 0.628496 O\n0.743216 0.261187 0.295162 O\n0.820200 0.263190 0.040160 O\n0.044207 0.864786 0.296175 F\n0.216439 0.960890 0.039941 F\n0.227201 0.661933 0.966310 F\n0.329139 0.850608 0.371505 F\n0.149392 0.478531 0.704838 F\n0.039110 0.255549 0.373275 F\n0.135214 0.179421 0.629508 F\n0.434732 0.772799 0.632976 F\n0.338067 0.565268 0.299643 F\n0.255549 0.216439 0.206608 F\n0.179421 0.044207 0.462841 F\n0.521469 0.670861 0.038172 F\n0.478531 0.329139 0.538172 F\n0.820579 0.955793 0.962841 F\n0.744451 0.783561 0.706608 F\n0.661933 0.434732 0.799643 F\n0.565268 0.227201 0.132976 F\n0.864786 0.820579 0.129508 F\n0.960890 0.744451 0.873275 F\n0.850608 0.521469 0.204838 F\n0.670861 0.149392 0.871505 F\n0.772799 0.338067 0.466310 F\n0.783561 0.039110 0.539941 F\n0.955793 0.135214 0.796175 F\n","nsites":42,"nelements":3,"elements":["Os","O","F"],"chemical_system":"F-O-Os","density":4.882321334155882,"density_atomic":0.06901365404015303,"volume":608.5752244847645,"volume_molar":8.726013487847261,"formula_full":"Os6 O12 F24","formula_reduced":"Os(OF2)2","formula_anonymous":"AB2C4","energy":-249.98883164,"energy_per_atom":-5.952115039047619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.65683164,"band_gap":1.4741,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.583000Z","spacegroup":169},{"id":"mp-1030676","created_at":"2022-09-04T14:44:30.166344Z","structure_string":"Na1 Mg6 Bi1 O8\n1.0\n8.906477 0.000000 0.000000\n0.000000 4.470977 0.000000\n0.000000 0.000000 4.470977\nNa Mg Bi O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.266047 0.000000 0.500000 Mg\n0.733953 0.000000 0.500000 Mg\n0.266047 0.500000 0.000000 Mg\n0.733953 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.269579 0.000000 0.000000 O\n0.730421 0.000000 0.000000 O\n0.269657 0.500000 0.500000 O\n0.730343 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Na","Mg","Bi","O"],"chemical_system":"Bi-Mg-Na-O","density":4.717513201694196,"density_atomic":0.08986884506442018,"volume":178.0372273453699,"volume_molar":6.701032772462116,"formula_full":"Na1 Mg6 Bi1 O8","formula_reduced":"NaMg6BiO8","formula_anonymous":"ABC6D8","energy":-95.56307703,"energy_per_atom":-5.972692314375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.06707703,"band_gap":4.2829,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.062000Z","spacegroup":123},{"id":"mp-1097264","created_at":"2022-09-04T14:44:41.733018Z","structure_string":"Ba1 Sr1 Li2\n1.0\n-6.924035 7.503776 9.626771\n6.924035 -7.503776 9.626771\n6.924035 7.503776 -9.626771\nBa Sr Li\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.245886 0.000000 0.245886 Li\n0.754114 0.000000 0.754114 Li\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Li"],"chemical_system":"Ba-Li-Sr","density":0.1982240794472177,"density_atomic":0.0019993104838442514,"volume":2000.6897539539962,"volume_molar":301.2108828850183,"formula_full":"Ba1 Sr1 Li2","formula_reduced":"BaSrLi2","formula_anonymous":"ABC2","energy":-2.45863386,"energy_per_atom":-0.614658465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.45863386,"band_gap":0.3457000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.308000Z","spacegroup":71}]}