{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10164","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=10162","results":[{"id":"mp-753652","created_at":"2022-09-04T14:48:14.510817Z","structure_string":"Na3 Ni2 P2 C2 O14\n1.0\n8.861891 -0.004991 0.069698\n0.150884 5.169338 -0.001036\n0.053721 -0.002759 6.512701\nNa Ni P C O\n3 2 2 2 14\ndirect\n0.255864 0.244612 0.473784 Na\n0.744786 0.753030 0.512379 Na\n0.746491 0.753838 0.985732 Na\n0.342474 0.782948 0.759313 Ni\n0.653402 0.220714 0.250053 Ni\n0.422107 0.718925 0.251950 P\n0.573409 0.280147 0.751682 P\n0.070410 0.710902 0.749284 C\n0.927599 0.284282 0.247509 C\n0.065018 0.321473 0.250752 O\n0.127319 0.938761 0.751805 O\n0.172696 0.526217 0.752178 O\n0.323978 0.785028 0.066633 O\n0.321088 0.789510 0.441336 O\n0.425357 0.134848 0.745096 O\n0.465218 0.424694 0.259792 O\n0.538712 0.579375 0.751744 O\n0.572714 0.866264 0.251105 O\n0.677747 0.212076 0.563529 O\n0.673204 0.207903 0.937286 O\n0.826162 0.474023 0.246271 O\n0.868329 0.056919 0.246058 O\n0.931206 0.672497 0.744886 O\n","nsites":23,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.762527229414547,"density_atomic":0.07709504692148393,"volume":298.33304367041814,"volume_molar":7.811319923228196,"formula_full":"Na3 Ni2 P2 C2 O14","formula_reduced":"Na3Ni2P2(CO7)2","formula_anonymous":"A2B2C2D3E14","energy":-159.08341109,"energy_per_atom":-6.916670047391304,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.38341109,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9998517,"is_theoretical":true,"updated_at":"2021-11-28T01:38:42.463000Z","spacegroup":1},{"id":"mp-1210729","created_at":"2022-09-04T14:44:17.311772Z","structure_string":"Nd4 Cl12 O12\n1.0\n4.610225 0.000000 0.000000\n0.000000 8.947421 0.000000\n0.000000 0.000000 17.404911\nNd Cl O\n4 12 12\ndirect\n0.551743 0.750000 0.027272 Nd\n0.448257 0.250000 0.972728 Nd\n0.051743 0.250000 0.472728 Nd\n0.948257 0.750000 0.527272 Nd\n0.787962 0.040315 0.580604 Cl\n0.212038 0.959685 0.419396 Cl\n0.287962 0.959685 0.919396 Cl\n0.212038 0.540315 0.419396 Cl\n0.712038 0.040315 0.080604 Cl\n0.787962 0.459685 0.580604 Cl\n0.712038 0.459685 0.080604 Cl\n0.287962 0.540315 0.919396 Cl\n0.157154 0.750000 0.668328 Cl\n0.842846 0.250000 0.331672 Cl\n0.657154 0.250000 0.831672 Cl\n0.342846 0.750000 0.168328 Cl\n0.757002 0.682023 0.819290 O\n0.242998 0.317977 0.180710 O\n0.257002 0.317977 0.680710 O\n0.242998 0.182023 0.180710 O\n0.742998 0.682023 0.319290 O\n0.757002 0.817977 0.819290 O\n0.742998 0.817977 0.319290 O\n0.257002 0.182023 0.680710 O\n0.444132 0.750000 0.501144 O\n0.555868 0.250000 0.498856 O\n0.944132 0.250000 0.998856 O\n0.055868 0.750000 0.001144 O\n","nsites":28,"nelements":3,"elements":["Nd","Cl","O"],"chemical_system":"Cl-Nd-O","density":2.762523160628042,"density_atomic":0.03900014578829386,"volume":717.9460341505794,"volume_molar":15.441328841923415,"formula_full":"Nd4 Cl12 O12","formula_reduced":"Nd(ClO)3","formula_anonymous":"AB3C3","energy":-128.63136273,"energy_per_atom":-4.593977240357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.69936273,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9501238,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.408000Z","spacegroup":62},{"id":"mp-558306","created_at":"2022-09-04T14:41:17.886064Z","structure_string":"Rb4 Cr4 Cl4 O12\n1.0\n7.764753 0.000000 0.000000\n0.000000 8.256311 0.000000\n0.000000 0.102070 8.285651\nRb Cr Cl O\n4 4 4 12\ndirect\n0.143048 0.365894 0.185073 Rb\n0.356952 0.865894 0.185073 Rb\n0.856952 0.634106 0.814927 Rb\n0.643048 0.134106 0.814927 Rb\n0.874485 0.874162 0.222204 Cr\n0.125515 0.125838 0.777796 Cr\n0.625515 0.374162 0.222204 Cr\n0.374485 0.625838 0.777796 Cr\n0.776250 0.361438 0.445344 Cl\n0.223750 0.638562 0.554656 Cl\n0.723750 0.861438 0.445344 Cl\n0.276250 0.138562 0.554656 Cl\n0.499974 0.531330 0.226181 O\n0.739582 0.887186 0.071665 O\n0.999974 0.968670 0.773819 O\n0.990791 0.711120 0.206629 O\n0.239582 0.612814 0.928335 O\n0.490791 0.788880 0.793371 O\n0.000026 0.031330 0.226181 O\n0.500026 0.468670 0.773819 O\n0.009209 0.288880 0.793371 O\n0.509209 0.211120 0.206629 O\n0.260418 0.112814 0.928335 O\n0.760418 0.387186 0.071665 O\n","nsites":24,"nelements":4,"elements":["Rb","Cr","Cl","O"],"chemical_system":"Cl-Cr-O-Rb","density":2.762448341258934,"density_atomic":0.04518256857690256,"volume":531.1783007455857,"volume_molar":13.328460398948042,"formula_full":"Rb4 Cr4 Cl4 O12","formula_reduced":"RbCrClO3","formula_anonymous":"ABCD3","energy":-152.63985705,"energy_per_atom":-6.3599940437499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.94385705,"band_gap":2.816,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011127,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.948000Z","spacegroup":14},{"id":"mp-6137","created_at":"2022-09-04T14:46:42.425109Z","structure_string":"Mg4 P6 S1 N12\n1.0\n-4.171994 4.171994 4.171994\n4.171994 -4.171994 4.171994\n4.171994 4.171994 -4.171994\nMg P S N\n4 6 1 12\ndirect\n0.342393 0.342393 0.342393 Mg\n0.000000 0.657607 0.000000 Mg\n0.657607 0.000000 0.000000 Mg\n0.000000 0.000000 0.657607 Mg\n0.500000 0.250000 0.750000 P\n0.500000 0.750000 0.250000 P\n0.750000 0.250000 0.500000 P\n0.250000 0.500000 0.750000 P\n0.750000 0.500000 0.250000 P\n0.250000 0.750000 0.500000 P\n0.000000 0.000000 0.000000 S\n0.000000 0.725330 0.439256 N\n0.274670 0.713926 0.274670 N\n0.286074 0.560744 0.560744 N\n0.560744 0.560744 0.286074 N\n0.560744 0.286074 0.560744 N\n0.725330 0.000000 0.439256 N\n0.439256 0.000000 0.725330 N\n0.725330 0.439256 0.000000 N\n0.274670 0.274670 0.713926 N\n0.713926 0.274670 0.274670 N\n0.000000 0.439256 0.725330 N\n0.439256 0.725330 0.000000 N\n","nsites":23,"nelements":4,"elements":["Mg","P","S","N"],"chemical_system":"Mg-N-P-S","density":2.7624356579749194,"density_atomic":0.0791838874516529,"volume":290.46313259175423,"volume_molar":7.605260304600382,"formula_full":"Mg4 P6 S1 N12","formula_reduced":"Mg4P6SN12","formula_anonymous":"AB4C6D12","energy":-167.32635976,"energy_per_atom":-7.27505912,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.49135976,"band_gap":4.830500000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006525,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.026000Z","spacegroup":217},{"id":"mp-1201520","created_at":"2022-09-04T14:47:27.885033Z","structure_string":"Na5 Zr2 Si6 Cl1 O20\n1.0\n7.420419 5.409836 0.000000\n-7.420419 5.409836 0.000000\n0.000000 2.571764 6.149582\nNa Zr Si Cl O\n5 2 6 1 20\ndirect\n0.080460 0.350826 0.444265 Na\n0.350826 0.080460 0.444265 Na\n0.919540 0.649174 0.555735 Na\n0.649174 0.919540 0.555735 Na\n0.000000 0.000000 0.000000 Na\n0.765553 0.234447 0.000000 Zr\n0.234447 0.765553 0.000000 Zr\n0.697833 0.302167 0.500000 Si\n0.302167 0.697833 0.500000 Si\n0.816337 0.600130 0.098581 Si\n0.600130 0.816337 0.098581 Si\n0.183663 0.399870 0.901419 Si\n0.399870 0.183663 0.901419 Si\n0.000000 0.000000 0.500000 Cl\n0.821827 0.484097 0.948138 O\n0.484097 0.821827 0.948138 O\n0.178173 0.515903 0.051862 O\n0.515903 0.178173 0.051862 O\n0.686027 0.686027 0.064091 O\n0.313973 0.313973 0.935909 O\n0.807165 0.289640 0.659228 O\n0.289640 0.807165 0.659228 O\n0.192835 0.710360 0.340772 O\n0.710360 0.192835 0.340772 O\n0.008918 0.260991 0.948812 O\n0.260991 0.008918 0.948812 O\n0.991082 0.739009 0.051188 O\n0.739009 0.991082 0.051188 O\n0.758905 0.495032 0.359588 O\n0.495032 0.758905 0.359588 O\n0.241095 0.504968 0.640412 O\n0.504968 0.241095 0.640412 O\n0.651932 0.651932 0.671276 O\n0.348068 0.348068 0.328724 O\n","nsites":34,"nelements":5,"elements":["Na","Zr","Si","Cl","O"],"chemical_system":"Cl-Na-O-Si-Zr","density":2.762419846857216,"density_atomic":0.06886377021199658,"volume":493.7284132909259,"volume_molar":8.74500588838062,"formula_full":"Na5 Zr2 Si6 Cl1 O20","formula_reduced":"Na5Zr2Si6ClO20","formula_anonymous":"AB2C5D6E20","energy":-252.05582237,"energy_per_atom":-7.413406540294117,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.31582237,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9975277,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.451000Z","spacegroup":12},{"id":"mp-1193412","created_at":"2022-09-04T14:42:56.319885Z","structure_string":"K4 Sn4 P4 S16\n1.0\n12.295838 0.000000 0.000000\n0.000000 6.915895 0.000000\n0.000000 6.589804 8.964636\nK Sn P S\n4 4 4 16\ndirect\n0.399201 0.368464 0.870386 K\n0.899201 0.631536 0.629614 K\n0.600799 0.631536 0.129614 K\n0.100799 0.368464 0.370386 K\n0.129646 0.930822 0.885183 Sn\n0.629646 0.069178 0.614817 Sn\n0.870354 0.069178 0.114817 Sn\n0.370354 0.930822 0.385183 Sn\n0.339830 0.095365 0.630027 P\n0.839830 0.904635 0.869973 P\n0.660170 0.904635 0.369973 P\n0.160170 0.095365 0.130027 P\n0.453806 0.925195 0.800407 S\n0.953806 0.074805 0.699593 S\n0.546194 0.074805 0.199593 S\n0.046194 0.925195 0.300407 S\n0.077768 0.280055 0.928000 S\n0.577768 0.719945 0.572000 S\n0.922232 0.719945 0.072000 S\n0.422232 0.280055 0.428000 S\n0.249732 0.329784 0.644470 S\n0.749732 0.670216 0.855530 S\n0.750268 0.670216 0.355530 S\n0.250268 0.329784 0.144470 S\n0.238353 0.852271 0.643752 S\n0.738353 0.147729 0.856248 S\n0.761647 0.147729 0.356248 S\n0.261647 0.852271 0.143752 S\n","nsites":28,"nelements":4,"elements":["K","Sn","P","S"],"chemical_system":"K-P-S-Sn","density":2.7624014221478217,"density_atomic":0.03672982401900693,"volume":762.3232821782804,"volume_molar":16.395778963938586,"formula_full":"K4 Sn4 P4 S16","formula_reduced":"KSnPS4","formula_anonymous":"ABCD4","energy":-134.03436202999998,"energy_per_atom":-4.786941501071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.98636203,"band_gap":2.1224000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0026453,"is_theoretical":false,"updated_at":"2021-11-28T01:35:58.028000Z","spacegroup":14},{"id":"mp-1020016","created_at":"2022-09-04T14:41:02.767781Z","structure_string":"Li4 Ca2 Mg1 Si2 N6\n1.0\n4.913119 2.964242 0.000000\n-4.913119 2.964242 0.000000\n0.000000 0.485657 5.622524\nLi Ca Mg Si N\n4 2 1 2 6\ndirect\n0.990088 0.332176 0.375292 Li\n0.332176 0.990088 0.375292 Li\n0.009912 0.667824 0.624708 Li\n0.667824 0.009912 0.624708 Li\n0.322000 0.678000 0.000000 Ca\n0.678000 0.322000 0.000000 Ca\n0.000000 0.000000 0.000000 Mg\n0.321744 0.321744 0.632972 Si\n0.678256 0.678256 0.367028 Si\n0.622054 0.622054 0.686914 N\n0.377946 0.377946 0.313086 N\n0.033446 0.322592 0.747896 N\n0.322592 0.033446 0.747896 N\n0.966554 0.677408 0.252104 N\n0.677408 0.966554 0.252104 N\n","nsites":15,"nelements":5,"elements":["Li","Ca","Mg","Si","N"],"chemical_system":"Ca-Li-Mg-N-Si","density":2.762368787508372,"density_atomic":0.09159230863127646,"volume":163.76920970936067,"volume_molar":6.5749415534915245,"formula_full":"Li4 Ca2 Mg1 Si2 N6","formula_reduced":"Li4Ca2Mg(SiN3)2","formula_anonymous":"AB2C2D4E6","energy":-90.84422744,"energy_per_atom":-6.056281829333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.67822744,"band_gap":3.0547,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002737,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.301000Z","spacegroup":12},{"id":"mp-766587","created_at":"2022-09-04T14:41:34.848770Z","structure_string":"Li12 V4 P4 C4 O28\n1.0\n6.512588 0.000000 0.000000\n0.000000 9.669120 0.000000\n0.000000 4.545211 8.658724\nLi V P C O\n12 4 4 4 28\ndirect\n0.266190 0.688043 0.889026 Li\n0.233810 0.188043 0.889026 Li\n0.021976 0.519089 0.711281 Li\n0.478024 0.019089 0.711281 Li\n0.751385 0.321395 0.625888 Li\n0.748615 0.821395 0.625888 Li\n0.248615 0.678605 0.374112 Li\n0.251385 0.178605 0.374112 Li\n0.978024 0.480911 0.288719 Li\n0.521976 0.980911 0.288719 Li\n0.733810 0.311957 0.110974 Li\n0.766190 0.811957 0.110974 Li\n0.521937 0.486219 0.751532 V\n0.978063 0.986219 0.751532 V\n0.478063 0.513781 0.248468 V\n0.021937 0.013781 0.248468 V\n0.237961 0.313058 0.591989 P\n0.262039 0.813058 0.591989 P\n0.762039 0.686942 0.408011 P\n0.737961 0.186942 0.408011 P\n0.756304 0.643072 0.946236 C\n0.743696 0.143072 0.946236 C\n0.243696 0.356928 0.053764 C\n0.256304 0.856928 0.053764 C\n0.698655 0.282355 0.926427 O\n0.801345 0.782355 0.926427 O\n0.275480 0.467724 0.912048 O\n0.744703 0.611087 0.833060 O\n0.224520 0.967724 0.912048 O\n0.755297 0.111087 0.833060 O\n0.056708 0.328857 0.685356 O\n0.434544 0.313124 0.682484 O\n0.065456 0.813124 0.682484 O\n0.443292 0.828857 0.685356 O\n0.758141 0.556736 0.578109 O\n0.277064 0.650992 0.592897 O\n0.741859 0.056736 0.578109 O\n0.222936 0.150992 0.592897 O\n0.722936 0.349008 0.407103 O\n0.241859 0.443264 0.421891 O\n0.777064 0.849008 0.407103 O\n0.258141 0.943264 0.421891 O\n0.943292 0.671143 0.314644 O\n0.565456 0.686876 0.317516 O\n0.934544 0.186876 0.317516 O\n0.556708 0.171143 0.314644 O\n0.255297 0.388913 0.166940 O\n0.724520 0.532276 0.087952 O\n0.244703 0.888913 0.166940 O\n0.775480 0.032276 0.087952 O\n0.301345 0.717645 0.073573 O\n0.198655 0.217645 0.073573 O\n","nsites":52,"nelements":5,"elements":["Li","V","P","C","O"],"chemical_system":"C-Li-O-P-V","density":2.762179518723241,"density_atomic":0.09536936528419346,"volume":545.2484646934994,"volume_molar":6.314544237611815,"formula_full":"Li12 V4 P4 C4 O28","formula_reduced":"Li3VPCO7","formula_anonymous":"ABCD3E7","energy":-381.82459825,"energy_per_atom":-7.342780735576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.78859825,"band_gap":3.2070000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9992377,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.890000Z","spacegroup":14},{"id":"mp-26901","created_at":"2022-09-04T14:42:44.625676Z","structure_string":"Li8 Fe2 P4 O18\n1.0\n3.394105 7.214307 0.000000\n-3.394105 7.214307 0.000000\n0.000000 0.093824 7.109092\nLi Fe P O\n8 2 4 18\ndirect\n0.754069 0.245931 0.000000 Li\n0.896090 0.896090 0.235635 Li\n0.629239 0.629239 0.295991 Li\n0.245931 0.754069 0.000000 Li\n0.103910 0.103910 0.764365 Li\n0.370761 0.370761 0.704009 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.876378 0.876378 0.706213 P\n0.398248 0.398248 0.245825 P\n0.123622 0.123622 0.293787 P\n0.601752 0.601752 0.754175 P\n0.236577 0.236577 0.897157 O\n0.988332 0.371435 0.236697 O\n0.030928 0.030928 0.190832 O\n0.011668 0.628565 0.763303 O\n0.872942 0.872942 0.492283 O\n0.495972 0.495972 0.761721 O\n0.969072 0.969072 0.809168 O\n0.763423 0.763423 0.102843 O\n0.560837 0.181074 0.129548 O\n0.439163 0.818926 0.870452 O\n0.347112 0.347112 0.436323 O\n0.652888 0.652888 0.563677 O\n0.127058 0.127058 0.507717 O\n0.371435 0.988332 0.236697 O\n0.628564 0.011668 0.763303 O\n0.818926 0.439163 0.870452 O\n0.504028 0.504028 0.238279 O\n0.181074 0.560837 0.129548 O\n","nsites":32,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.7621058969094383,"density_atomic":0.0919149076331707,"volume":348.148095058866,"volume_molar":6.5518651055323485,"formula_full":"Li8 Fe2 P4 O18","formula_reduced":"Li4FeP2O9","formula_anonymous":"AB2C4D9","energy":-221.39629071,"energy_per_atom":-6.9186340846875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.51829071,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.000015,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.262000Z","spacegroup":12},{"id":"mp-1201991","created_at":"2022-09-04T14:46:18.602195Z","structure_string":"Yb2 N6 O28\n1.0\n-6.332144 0.000000 0.000000\n2.173176 9.192897 0.000000\n-0.327263 -4.344592 -9.069009\nYb N O\n2 6 28\ndirect\n0.251641 0.860532 0.213487 Yb\n0.748359 0.139468 0.786513 Yb\n0.044664 0.771219 0.930000 N\n0.955336 0.228781 0.070000 N\n0.000367 0.716038 0.385211 N\n0.999633 0.283962 0.614789 N\n0.488385 0.193890 0.370043 N\n0.511615 0.806110 0.629957 N\n0.205783 0.893675 0.990493 O\n0.794217 0.106325 0.009507 O\n0.979446 0.691130 0.005064 O\n0.020554 0.308870 0.994936 O\n0.957384 0.734391 0.808451 O\n0.042616 0.265609 0.191549 O\n0.005829 0.640748 0.245149 O\n0.994171 0.359252 0.754851 O\n0.118284 0.860312 0.444959 O\n0.881716 0.139688 0.555041 O\n0.886720 0.653723 0.456560 O\n0.113280 0.346277 0.543440 O\n0.423588 0.101049 0.433659 O\n0.576412 0.898951 0.566341 O\n0.419038 0.137338 0.235359 O\n0.580962 0.862662 0.764641 O\n0.612322 0.328049 0.434428 O\n0.387678 0.671951 0.565572 O\n0.390346 0.561404 0.934941 O\n0.609654 0.438596 0.065059 O\n0.468823 0.632988 0.221629 O\n0.531177 0.367012 0.778371 O\n0.685795 0.911742 0.171241 O\n0.314205 0.088258 0.828759 O\n0.863015 0.959100 0.241579 O\n0.136985 0.040900 0.758421 O\n0.503342 0.490883 0.179690 O\n0.496658 0.509117 0.820310 O\n","nsites":36,"nelements":3,"elements":["Yb","N","O"],"chemical_system":"N-O-Yb","density":2.7620513379014673,"density_atomic":0.06819295201017746,"volume":527.9137937103409,"volume_molar":8.831031041303543,"formula_full":"Yb2 N6 O28","formula_reduced":"YbN3O14","formula_anonymous":"AB3C14","energy":-207.47962554,"energy_per_atom":-5.763322931666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.47962554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.028471,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.398000Z","spacegroup":2},{"id":"mp-697744","created_at":"2022-09-04T14:46:38.306307Z","structure_string":"Li4 Mn4 P8 O28\n1.0\n13.354844 0.000000 0.000000\n0.000000 5.049600 0.000000\n0.000000 4.663104 8.409459\nLi Mn P O\n4 4 8 28\ndirect\n0.624564 0.992564 0.658302 Li\n0.375436 0.007436 0.341698 Li\n0.875436 0.992564 0.158302 Li\n0.124564 0.007436 0.841698 Li\n0.836423 0.045294 0.753810 Mn\n0.163577 0.954706 0.246190 Mn\n0.336423 0.954706 0.746190 Mn\n0.663577 0.045294 0.253810 Mn\n0.324027 0.269191 0.961898 P\n0.029556 0.482880 0.224831 P\n0.175973 0.269191 0.461898 P\n0.675973 0.730809 0.038102 P\n0.824027 0.730809 0.538102 P\n0.470444 0.482880 0.724831 P\n0.970444 0.517120 0.775169 P\n0.529556 0.517120 0.275169 P\n0.688759 0.953524 0.863214 O\n0.057854 0.317716 0.416901 O\n0.722702 0.846937 0.145862 O\n0.188759 0.046476 0.636786 O\n0.425285 0.401323 0.295714 O\n0.889888 0.261199 0.858105 O\n0.389888 0.738801 0.641895 O\n0.046572 0.231233 0.178120 O\n0.610112 0.261199 0.358105 O\n0.777298 0.846937 0.645862 O\n0.574715 0.598677 0.704286 O\n0.282208 0.582377 0.920249 O\n0.953428 0.768767 0.821880 O\n0.925285 0.598677 0.204286 O\n0.222702 0.153063 0.354138 O\n0.110112 0.738801 0.141895 O\n0.277298 0.153063 0.854138 O\n0.811241 0.953524 0.363214 O\n0.546572 0.768767 0.321880 O\n0.311241 0.046476 0.136786 O\n0.453428 0.231233 0.678120 O\n0.942146 0.682284 0.583099 O\n0.074715 0.401323 0.795714 O\n0.717792 0.417623 0.079751 O\n0.217792 0.582377 0.420249 O\n0.782208 0.417623 0.579751 O\n0.557854 0.682284 0.083099 O\n0.442146 0.317716 0.916901 O\n","nsites":44,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.7620417097096106,"density_atomic":0.07758697548862097,"volume":567.105493195222,"volume_molar":7.76179342225193,"formula_full":"Li4 Mn4 P8 O28","formula_reduced":"LiMnP2O7","formula_anonymous":"ABC2D7","energy":-336.96287901,"energy_per_atom":-7.658247250227273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-311.05487901,"band_gap":1.4618,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0018779,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.923000Z","spacegroup":14},{"id":"mp-540548","created_at":"2022-09-04T14:45:23.238372Z","structure_string":"K4 Co2 P8 O24\n1.0\n6.372757 5.635958 0.000000\n-6.372757 5.635958 0.000000\n0.000000 1.720750 7.582996\nK Co P O\n4 2 8 24\ndirect\n0.492967 0.241386 0.079892 K\n0.241386 0.492967 0.579892 K\n0.529657 0.797230 0.915727 K\n0.797230 0.529657 0.415727 K\n0.845946 0.153301 0.749500 Co\n0.153301 0.845946 0.249500 Co\n0.182395 0.030097 0.834912 P\n0.030097 0.182395 0.334912 P\n0.495372 0.171818 0.574161 P\n0.171818 0.495372 0.074161 P\n0.493158 0.867563 0.419237 P\n0.867563 0.493158 0.919237 P\n0.810709 0.964621 0.179725 P\n0.964621 0.810709 0.679725 P\n0.508844 0.339772 0.478546 O\n0.339772 0.508844 0.978546 O\n0.602661 0.129753 0.706663 O\n0.129753 0.602661 0.206663 O\n0.310306 0.120079 0.665901 O\n0.120079 0.310306 0.165901 O\n0.508220 0.059325 0.421799 O\n0.059325 0.508220 0.921799 O\n0.387659 0.832794 0.284867 O\n0.832794 0.387659 0.784867 O\n0.457569 0.767386 0.597693 O\n0.767386 0.457569 0.097693 O\n0.675807 0.853002 0.332906 O\n0.853002 0.675807 0.832906 O\n0.731297 0.026863 0.027695 O\n0.026863 0.731297 0.527695 O\n0.940554 0.861439 0.155042 O\n0.861439 0.940554 0.655042 O\n0.865807 0.115835 0.271296 O\n0.115835 0.865807 0.771296 O\n0.268965 0.982247 0.985784 O\n0.982247 0.268965 0.485784 O\n0.056234 0.138363 0.853054 O\n0.138363 0.056234 0.353054 O\n","nsites":38,"nelements":4,"elements":["K","Co","P","O"],"chemical_system":"Co-K-O-P","density":2.7620292916939313,"density_atomic":0.06976179832534016,"volume":544.7107286825337,"volume_molar":8.63243337265365,"formula_full":"K4 Co2 P8 O24","formula_reduced":"K2Co(PO3)4","formula_anonymous":"AB2C4D12","energy":-275.92276029,"energy_per_atom":-7.261125270789473,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.15876029,"band_gap":3.1734,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0003246,"is_theoretical":false,"updated_at":"2021-11-28T01:36:56.362000Z","spacegroup":9}]}