{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10222","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10220","results":[{"id":"mp-1203254","created_at":"2022-09-04T14:48:16.581367Z","structure_string":"Na6 Li2 Mo4 O28\n1.0\n4.156459 7.102237 0.000000\n-4.156459 7.102237 0.000000\n0.000000 4.759758 10.119254\nNa Li Mo O\n6 2 4 28\ndirect\n0.452655 0.488301 0.539798 Na\n0.488301 0.452655 0.039798 Na\n0.675739 0.951035 0.538095 Na\n0.951035 0.675739 0.038095 Na\n0.995329 0.176145 0.538148 Na\n0.176145 0.995329 0.038148 Na\n0.958434 0.457833 0.783540 Li\n0.457833 0.958434 0.283540 Li\n0.304559 0.800339 0.753033 Mo\n0.800339 0.304559 0.253033 Mo\n0.077140 0.579956 0.422620 Mo\n0.579956 0.077140 0.922620 Mo\n0.242802 0.744600 0.930834 O\n0.744600 0.242802 0.430834 O\n0.560121 0.722106 0.691687 O\n0.722106 0.560121 0.191687 O\n0.192672 0.055507 0.687001 O\n0.055507 0.192672 0.187001 O\n0.226428 0.681468 0.692170 O\n0.681468 0.226428 0.192170 O\n0.278513 0.646784 0.370959 O\n0.646784 0.278513 0.870959 O\n0.142905 0.367503 0.370647 O\n0.367503 0.142905 0.870647 O\n0.863159 0.777401 0.371330 O\n0.777401 0.863159 0.871330 O\n0.020284 0.520824 0.595022 O\n0.520824 0.020284 0.095022 O\n0.699968 0.632427 0.883445 O\n0.632427 0.699968 0.383445 O\n0.139321 0.443526 0.880133 O\n0.443526 0.139321 0.380133 O\n0.935037 0.200009 0.886632 O\n0.200009 0.935037 0.386632 O\n0.418807 0.186470 0.644133 O\n0.186470 0.418807 0.144133 O\n0.693486 0.391748 0.647336 O\n0.391748 0.693486 0.147336 O\n0.890148 0.929111 0.647336 O\n0.929111 0.890148 0.147336 O\n","nsites":40,"nelements":4,"elements":["Na","Li","Mo","O"],"chemical_system":"Li-Mo-Na-O","density":2.733722871991759,"density_atomic":0.06695188935259165,"volume":597.4439315572748,"volume_molar":8.994728630114288,"formula_full":"Na6 Li2 Mo4 O28","formula_reduced":"Na3Li(MoO7)2","formula_anonymous":"AB2C3D14","energy":-230.39539689,"energy_per_atom":-5.75988492225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.35139689,"band_gap":0.3191,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9993756,"is_theoretical":false,"updated_at":"2021-11-28T01:38:39.845000Z","spacegroup":9},{"id":"mp-1080319","created_at":"2022-09-04T14:44:09.840919Z","structure_string":"Ce1 Se2\n1.0\n1.444923 2.502957 0.000000\n-1.444923 2.502957 0.000000\n0.000000 1.763229 25.028639\nCe Se\n1 2\ndirect\n0.500032 0.499968 0.500000 Ce\n0.537934 0.583965 0.810697 Se\n0.416035 0.462066 0.189303 Se\n","nsites":3,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":2.733710373207261,"density_atomic":0.01657127528575284,"volume":181.0361573426549,"volume_molar":36.340840738899175,"formula_full":"Ce1 Se2","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-11.5214332,"energy_per_atom":-3.8404777333333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.5774332,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0211149,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.040000Z","spacegroup":5},{"id":"mp-1211215","created_at":"2022-09-04T14:43:20.382800Z","structure_string":"Li8 Nd4 N20 O60\n1.0\n9.043261 0.000000 0.000000\n0.000000 10.622231 0.000000\n0.000000 0.000000 11.841504\nLi Nd N O\n8 4 20 60\ndirect\n0.116883 0.228109 0.321044 Li\n0.883117 0.771891 0.678956 Li\n0.883117 0.771891 0.321044 Li\n0.383117 0.728109 0.178956 Li\n0.116883 0.228109 0.678956 Li\n0.616883 0.271891 0.821044 Li\n0.616883 0.271891 0.178956 Li\n0.383117 0.728109 0.821044 Li\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.260080 N\n0.000000 0.000000 0.739920 N\n0.500000 0.500000 0.239920 N\n0.500000 0.500000 0.760080 N\n0.174756 0.249101 0.000000 N\n0.825244 0.750899 0.000000 N\n0.325244 0.749101 0.500000 N\n0.674756 0.250899 0.500000 N\n0.399974 0.154945 0.291357 N\n0.600026 0.845055 0.708643 N\n0.600026 0.845055 0.291357 N\n0.100026 0.654945 0.208643 N\n0.399974 0.154945 0.708643 N\n0.899974 0.345055 0.791357 N\n0.899974 0.345055 0.208643 N\n0.100026 0.654945 0.791357 N\n0.706365 0.146833 0.000000 N\n0.293635 0.853167 0.000000 N\n0.793635 0.646833 0.500000 N\n0.206365 0.353167 0.500000 N\n0.311956 0.112444 0.368104 O\n0.688044 0.887556 0.631896 O\n0.688044 0.887556 0.368104 O\n0.188044 0.612444 0.131896 O\n0.311956 0.112444 0.631896 O\n0.811956 0.387556 0.868104 O\n0.811956 0.387556 0.131896 O\n0.188044 0.612444 0.868104 O\n0.030499 0.247203 0.000000 O\n0.969501 0.752797 0.000000 O\n0.469501 0.747203 0.500000 O\n0.530499 0.252797 0.500000 O\n0.036487 0.374354 0.201369 O\n0.963513 0.625646 0.798631 O\n0.963513 0.625646 0.201369 O\n0.463513 0.874354 0.298631 O\n0.036487 0.374354 0.798631 O\n0.536487 0.125646 0.701369 O\n0.536487 0.125646 0.298631 O\n0.463513 0.874354 0.701369 O\n0.240572 0.145939 0.000000 O\n0.759428 0.854061 0.000000 O\n0.259428 0.645939 0.500000 O\n0.740572 0.354061 0.500000 O\n0.597019 0.219968 0.000000 O\n0.402981 0.780032 0.000000 O\n0.902981 0.719968 0.500000 O\n0.097019 0.280032 0.500000 O\n0.000000 0.000000 0.363635 O\n0.000000 0.000000 0.636365 O\n0.500000 0.500000 0.136365 O\n0.500000 0.500000 0.863635 O\n0.237540 0.354170 0.000000 O\n0.762460 0.645830 0.000000 O\n0.262460 0.854170 0.500000 O\n0.737540 0.145830 0.500000 O\n0.264267 0.389401 0.407637 O\n0.735733 0.610599 0.592363 O\n0.735733 0.610599 0.407637 O\n0.235733 0.889401 0.092363 O\n0.264267 0.389401 0.592363 O\n0.764267 0.110599 0.907637 O\n0.764267 0.110599 0.092363 O\n0.235733 0.889401 0.907637 O\n0.057695 0.090054 0.201957 O\n0.942305 0.909946 0.798043 O\n0.942305 0.909946 0.201957 O\n0.442305 0.590054 0.298043 O\n0.057695 0.090054 0.798043 O\n0.557695 0.409946 0.701957 O\n0.557695 0.409946 0.298043 O\n0.442305 0.590054 0.701957 O\n0.353526 0.224242 0.215144 O\n0.646474 0.775758 0.784856 O\n0.646474 0.775758 0.215144 O\n0.146474 0.724242 0.284856 O\n0.353526 0.224242 0.784856 O\n0.853526 0.275758 0.715144 O\n0.853526 0.275758 0.284856 O\n0.146474 0.724242 0.715144 O\n","nsites":92,"nelements":4,"elements":["Li","Nd","N","O"],"chemical_system":"Li-N-Nd-O","density":2.733663486426502,"density_atomic":0.08087981594786744,"volume":1137.4902244992777,"volume_molar":7.445789396802882,"formula_full":"Li8 Nd4 N20 O60","formula_reduced":"Li2Nd(NO3)5","formula_anonymous":"AB2C5D15","energy":-629.79990191,"energy_per_atom":-6.845651107717392,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-588.57990191,"band_gap":3.6948,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.63e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.879000Z","spacegroup":58},{"id":"mp-1214825","created_at":"2022-09-04T14:42:57.590878Z","structure_string":"Al1 Se2 N1 O8\n1.0\n-2.533680 -4.388463 0.000000\n-2.533680 4.388463 0.000000\n0.000000 0.000000 -8.929815\nAl Se N O\n1 2 1 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.798649 Se\n0.333333 0.666667 0.201351 Se\n0.000000 0.000000 0.500000 N\n0.927027 0.250332 0.864887 O\n0.323306 0.072973 0.864887 O\n0.676694 0.749668 0.135113 O\n0.749668 0.676694 0.864887 O\n0.250332 0.927027 0.135113 O\n0.072973 0.323306 0.135113 O\n0.666667 0.333333 0.615609 O\n0.333333 0.666667 0.384391 O\n","nsites":12,"nelements":4,"elements":["Al","Se","N","O"],"chemical_system":"Al-N-O-Se","density":2.733580857850718,"density_atomic":0.06042888547520159,"volume":198.58052826283685,"volume_molar":9.965665778283014,"formula_full":"Al1 Se2 N1 O8","formula_reduced":"AlSe2NO8","formula_anonymous":"ABC2D8","energy":-68.82400928999999,"energy_per_atom":-5.735334107499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.32800929,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.997012,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.752000Z","spacegroup":150},{"id":"mp-769496","created_at":"2022-09-04T14:39:38.455336Z","structure_string":"Na6 Ni4 P4 C4 O28\n1.0\n-8.806181 5.187013 0.073255\n-9.099726 -5.156980 0.060884\n0.094799 5.181536 6.517340\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.756274 0.994626 0.486205 Na\n0.998942 0.753915 0.998024 Na\n0.531064 0.724962 0.956423 Na\n0.468936 0.275038 0.043577 Na\n0.001058 0.246085 0.001976 Na\n0.243726 0.005374 0.513795 Na\n0.845426 0.806553 0.745106 Ni\n0.656053 0.690482 0.253789 Ni\n0.343947 0.309518 0.746211 Ni\n0.154574 0.193447 0.254894 Ni\n0.476435 0.951318 0.752935 P\n0.981543 0.443785 0.748755 P\n0.018457 0.556215 0.251245 P\n0.523565 0.048682 0.247065 P\n0.941436 0.982758 0.755251 C\n0.553171 0.523762 0.256559 C\n0.446829 0.476238 0.743441 C\n0.058564 0.017242 0.244749 C\n0.009659 0.928362 0.241239 O\n0.704715 0.969207 0.060734 O\n0.979658 0.591028 0.747807 O\n0.855899 0.681611 0.241722 O\n0.640163 0.823853 0.757063 O\n0.519736 0.901193 0.241383 O\n0.482730 0.852805 0.565409 O\n0.800846 0.521948 0.936259 O\n0.999546 0.324817 0.562464 O\n0.203048 0.972489 0.243846 O\n0.694564 0.481700 0.260015 O\n0.466559 0.667552 0.258607 O\n0.971542 0.161510 0.250606 O\n0.492937 0.566471 0.750777 O\n0.507063 0.433529 0.249223 O\n0.028458 0.838490 0.749394 O\n0.533441 0.332448 0.741393 O\n0.305436 0.518300 0.739985 O\n0.796952 0.027511 0.756154 O\n0.000454 0.675183 0.437536 O\n0.199154 0.478052 0.063741 O\n0.517270 0.147195 0.434591 O\n0.480264 0.098807 0.758617 O\n0.359837 0.176147 0.242937 O\n0.144101 0.318389 0.758278 O\n0.020342 0.408972 0.252193 O\n0.295285 0.030793 0.939266 O\n0.990341 0.071638 0.758761 O\n","nsites":46,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.7335785756586075,"density_atomic":0.07628716427118298,"volume":602.9847935686898,"volume_molar":7.894041963065637,"formula_full":"Na6 Ni4 P4 C4 O28","formula_reduced":"Na3Ni2P2(CO7)2","formula_anonymous":"A2B2C2D3E14","energy":-319.73202951,"energy_per_atom":-6.9506962936956525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-290.33202951,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0006026,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.081000Z","spacegroup":2},{"id":"mp-1190865","created_at":"2022-09-04T14:43:49.935609Z","structure_string":"Ga2 P2 H8 N2 O10\n1.0\n4.537036 0.000000 -0.644639\n0.000000 6.225755 0.000000\n-0.037610 0.000000 8.553126\nGa P H N O\n2 2 8 2 10\ndirect\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.578330 0.250000 0.206651 P\n0.421670 0.750000 0.793349 P\n0.161913 0.118149 0.658749 H\n0.838087 0.618149 0.341251 H\n0.838087 0.881851 0.341251 H\n0.161913 0.381851 0.658749 H\n0.272112 0.250000 0.501717 H\n0.727888 0.750000 0.498283 H\n0.905948 0.250000 0.526735 H\n0.094052 0.750000 0.473265 H\n0.122697 0.250000 0.583570 N\n0.877303 0.750000 0.416430 N\n0.825310 0.250000 0.878879 O\n0.174690 0.750000 0.121121 O\n0.551139 0.250000 0.381814 O\n0.448861 0.750000 0.618186 O\n0.743672 0.456124 0.163987 O\n0.256328 0.956124 0.836013 O\n0.256328 0.543876 0.836013 O\n0.743672 0.043876 0.163987 O\n0.265874 0.250000 0.101283 O\n0.734126 0.750000 0.898717 O\n","nsites":24,"nelements":5,"elements":["Ga","P","H","N","O"],"chemical_system":"Ga-H-N-O-P","density":2.733566735399291,"density_atomic":0.09940163802798174,"volume":241.44471334812366,"volume_molar":6.058391873084382,"formula_full":"Ga2 P2 H8 N2 O10","formula_reduced":"GaPH4NO5","formula_anonymous":"ABCD4E5","energy":-147.44232365000002,"energy_per_atom":-6.143430152083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.85032365,"band_gap":0.2191,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0031572,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.551000Z","spacegroup":11},{"id":"mp-1026499","created_at":"2022-09-04T14:47:56.114242Z","structure_string":"Mg14 Cr1 Bi1\n1.0\n6.374056 0.005354 0.000000\n-3.182391 5.512063 0.000000\n0.000000 0.000000 10.390448\nMg Cr Bi\n14 1 1\ndirect\n0.166873 0.333436 0.625000 Mg\n0.166600 0.833300 0.625000 Mg\n0.667865 0.332984 0.125000 Mg\n0.666654 0.333457 0.625000 Mg\n0.667865 0.834880 0.125000 Mg\n0.666654 0.833196 0.625000 Mg\n0.333863 0.172750 0.375560 Mg\n0.333863 0.172750 0.874440 Mg\n0.333863 0.661114 0.375560 Mg\n0.333863 0.661114 0.874440 Mg\n0.837177 0.168589 0.372916 Mg\n0.837177 0.168589 0.877084 Mg\n0.828885 0.664443 0.379454 Mg\n0.828885 0.664443 0.870546 Mg\n0.166075 0.333037 0.125000 Cr\n0.163835 0.831917 0.125000 Bi\n","nsites":16,"nelements":3,"elements":["Mg","Cr","Bi"],"chemical_system":"Bi-Cr-Mg","density":2.733548449075362,"density_atomic":0.04380716006576438,"volume":365.2370976794754,"volume_molar":13.746932581247938,"formula_full":"Mg14 Cr1 Bi1","formula_reduced":"Mg14CrBi","formula_anonymous":"ABC14","energy":-35.17580983,"energy_per_atom":-2.198488114375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.17580983,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.068814,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.379000Z","spacegroup":38},{"id":"mp-721686","created_at":"2022-09-04T14:46:29.651453Z","structure_string":"Sn4 H16 Cl8 O8\n1.0\n7.223469 0.000000 0.000000\n0.000000 8.998451 0.000000\n0.000000 3.793371 8.435616\nSn H Cl O\n4 16 8 8\ndirect\n0.755243 0.965428 0.379910 Sn\n0.255243 0.534572 0.620090 Sn\n0.244757 0.034572 0.620090 Sn\n0.744757 0.465428 0.379910 Sn\n0.530199 0.094362 0.101604 H\n0.030199 0.405638 0.898396 H\n0.469801 0.905638 0.898396 H\n0.969801 0.594362 0.101604 H\n0.700691 0.014786 0.049701 H\n0.200691 0.485214 0.950299 H\n0.299309 0.985214 0.950299 H\n0.799309 0.514786 0.049701 H\n0.751318 0.794774 0.990514 H\n0.251318 0.705226 0.009486 H\n0.248682 0.205226 0.009486 H\n0.748682 0.294774 0.990514 H\n0.791278 0.961973 0.843630 H\n0.291278 0.538027 0.156370 H\n0.208722 0.038027 0.156370 H\n0.708722 0.461973 0.843630 H\n0.991602 0.815617 0.282816 Cl\n0.491602 0.684383 0.717184 Cl\n0.008398 0.184383 0.717184 Cl\n0.508398 0.315617 0.282816 Cl\n0.002050 0.196305 0.307600 Cl\n0.502050 0.303695 0.692400 Cl\n0.997950 0.803695 0.692400 Cl\n0.497950 0.696305 0.307600 Cl\n0.669202 0.086234 0.106453 O\n0.169202 0.413766 0.893547 O\n0.330798 0.913766 0.893547 O\n0.830798 0.586234 0.106453 O\n0.704278 0.907664 0.932346 O\n0.204278 0.592336 0.067654 O\n0.295722 0.092336 0.067654 O\n0.795722 0.407664 0.932346 O\n","nsites":36,"nelements":4,"elements":["Sn","H","Cl","O"],"chemical_system":"Cl-H-O-Sn","density":2.7334267142739135,"density_atomic":0.06565565365840882,"volume":548.3153086450052,"volume_molar":9.172311026452961,"formula_full":"Sn4 H16 Cl8 O8","formula_reduced":"SnH4(ClO)2","formula_anonymous":"AB2C2D4","energy":-172.0782125,"energy_per_atom":-4.779950347222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.6702125,"band_gap":3.8242,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007403,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.986000Z","spacegroup":14},{"id":"mp-1222264","created_at":"2022-09-04T14:44:21.851023Z","structure_string":"Mg6 B2 H4 O10 F2\n1.0\n3.162418 0.000000 0.000000\n0.000000 9.025274 0.000000\n0.000000 4.475431 7.864116\nMg B H O F\n6 2 4 10 2\ndirect\n0.000000 0.372595 0.971126 Mg\n0.000000 0.963215 0.662406 Mg\n0.000000 0.656195 0.380181 Mg\n0.500000 0.628277 0.035326 Mg\n0.500000 0.030622 0.342569 Mg\n0.500000 0.340631 0.626757 Mg\n0.000000 0.332391 0.335850 B\n0.500000 0.665701 0.670449 B\n0.000000 0.867443 0.973136 H\n0.000000 0.959920 0.175658 H\n0.000000 0.159871 0.852684 H\n0.500000 0.149283 0.021246 H\n0.000000 0.444722 0.160212 O\n0.000000 0.155821 0.402100 O\n0.000000 0.398104 0.447719 O\n0.500000 0.556356 0.846135 O\n0.500000 0.842633 0.604616 O\n0.500000 0.598492 0.560136 O\n0.000000 0.797778 0.919188 O\n0.000000 0.906898 0.298553 O\n0.000000 0.283315 0.797245 O\n0.500000 0.205421 0.089016 O\n0.500000 0.088800 0.700494 F\n0.500000 0.695515 0.217198 F\n","nsites":24,"nelements":5,"elements":["Mg","B","H","O","F"],"chemical_system":"B-F-H-Mg-O","density":2.733405511443336,"density_atomic":0.10692559161610611,"volume":224.45515275863013,"volume_molar":5.632085517582388,"formula_full":"Mg6 B2 H4 O10 F2","formula_reduced":"Mg3BH2O5F","formula_anonymous":"ABC2D3E5","energy":-155.07741873,"energy_per_atom":-6.46155911375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.28341873,"band_gap":3.8004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007794,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.242000Z","spacegroup":6},{"id":"mp-1111708","created_at":"2022-09-04T14:46:26.446240Z","structure_string":"Cs1 Rb2 Ga1 Cl6\n1.0\n0.000000 5.626101 5.626101\n5.626101 0.000000 5.626101\n5.626101 5.626101 0.000000\nCs Rb Ga Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.787036 0.212964 0.212964 Cl\n0.212964 0.212964 0.787036 Cl\n0.212964 0.787036 0.787036 Cl\n0.212964 0.787036 0.212964 Cl\n0.787036 0.212964 0.787036 Cl\n0.787036 0.787036 0.212964 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Rb","Ga","Cl"],"chemical_system":"Cl-Cs-Ga-Rb","density":2.733399608205996,"density_atomic":0.028076788546209118,"volume":356.16609013320306,"volume_molar":21.44882328720996,"formula_full":"Cs1 Rb2 Ga1 Cl6","formula_reduced":"CsRb2GaCl6","formula_anonymous":"ABC2D6","energy":-36.34215759,"energy_per_atom":-3.634215759,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.65815759,"band_gap":3.3928000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003723,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.898000Z","spacegroup":225},{"id":"mp-780490","created_at":"2022-09-04T14:47:56.485734Z","structure_string":"Li4 Cr4 P8 O32\n1.0\n5.182686 0.000000 0.000000\n0.000000 10.526597 0.000000\n0.000000 0.000000 11.085474\nLi Cr P O\n4 4 8 32\ndirect\n0.780641 0.734088 0.109767 Li\n0.219359 0.234088 0.390233 Li\n0.719359 0.265912 0.609767 Li\n0.280641 0.765912 0.890233 Li\n0.233708 0.402605 0.142938 Cr\n0.766292 0.902605 0.357062 Cr\n0.266292 0.597395 0.642938 Cr\n0.733708 0.097395 0.857062 Cr\n0.239543 0.092264 0.038419 P\n0.257170 0.859506 0.175290 P\n0.742830 0.359506 0.324710 P\n0.760457 0.592264 0.461581 P\n0.260457 0.907736 0.538419 P\n0.242830 0.140494 0.675290 P\n0.757170 0.640494 0.824710 P\n0.739543 0.407736 0.961581 P\n0.988073 0.052690 0.977608 O\n0.975772 0.458180 0.029722 O\n0.204684 0.796837 0.055756 O\n0.254970 0.230738 0.070878 O\n0.245163 0.014001 0.164159 O\n0.245901 0.535565 0.212636 O\n0.963580 0.324079 0.237596 O\n0.524730 0.826380 0.227067 O\n0.475270 0.326380 0.272933 O\n0.036420 0.824079 0.262404 O\n0.754099 0.035565 0.287364 O\n0.754837 0.514001 0.335841 O\n0.745030 0.730738 0.429122 O\n0.795316 0.296837 0.444244 O\n0.024228 0.958180 0.470278 O\n0.011927 0.552690 0.522392 O\n0.511927 0.947310 0.477608 O\n0.524228 0.541820 0.529722 O\n0.295316 0.203163 0.555756 O\n0.245030 0.769262 0.570878 O\n0.254837 0.985999 0.664159 O\n0.254099 0.464435 0.712636 O\n0.536420 0.675921 0.737596 O\n0.975270 0.173620 0.727067 O\n0.024730 0.673620 0.772933 O\n0.463580 0.175921 0.762404 O\n0.745901 0.964435 0.787364 O\n0.745163 0.485999 0.835841 O\n0.754970 0.269262 0.929122 O\n0.704684 0.703163 0.944244 O\n0.475772 0.041820 0.970278 O\n0.488073 0.447310 0.022392 O\n","nsites":48,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.733390105645599,"density_atomic":0.07936775127522233,"volume":604.7796394476535,"volume_molar":7.587641911532955,"formula_full":"Li4 Cr4 P8 O32","formula_reduced":"LiCr(PO4)2","formula_anonymous":"ABC2D8","energy":-361.20046721,"energy_per_atom":-7.525009733541666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-331.22046721,"band_gap":0.905,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0129054,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.821000Z","spacegroup":19},{"id":"mp-989644","created_at":"2022-09-04T14:40:29.055469Z","structure_string":"Cs2 Na1 Ca1 Cl6\n1.0\n0.000000 5.479392 5.479392\n5.479392 0.000000 5.479392\n5.479392 5.479392 0.000000\nCs Na Ca Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ca\n0.247764 0.752236 0.752236 Cl\n0.247764 0.752236 0.247764 Cl\n0.752236 0.247764 0.752236 Cl\n0.752236 0.752236 0.247764 Cl\n0.247764 0.247764 0.752236 Cl\n0.752236 0.247764 0.247764 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Na","Ca","Cl"],"chemical_system":"Ca-Cl-Cs-Na","density":2.733367181842466,"density_atomic":0.030392952434323536,"volume":329.02364525490276,"volume_molar":19.814267050933307,"formula_full":"Cs2 Na1 Ca1 Cl6","formula_reduced":"Cs2NaCaCl6","formula_anonymous":"ABC2D6","energy":-37.96101368,"energy_per_atom":-3.796101368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.27701368,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0002204,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.027000Z","spacegroup":225}]}