{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10182","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10180","results":[{"id":"mp-1236368","created_at":"2022-09-04T14:42:44.364417Z","structure_string":"Ba4 Li1 Ge4 O12\n1.0\n4.714742 0.029159 -0.022586\n0.035214 5.940828 -0.084162\n-0.067814 -0.194799 13.008092\nBa Li Ge O\n4 1 4 12\ndirect\n0.259642 0.790902 0.852801 Ba\n0.765702 0.671697 0.139635 Ba\n0.700937 0.301866 0.646116 Ba\n0.215686 0.123190 0.340348 Ba\n0.156760 0.457028 0.518585 Li\n0.806642 0.283340 0.923956 Ge\n0.312482 0.186962 0.077217 Ge\n0.200514 0.865291 0.590832 Ge\n0.693334 0.710184 0.435960 Ge\n0.751692 0.572676 0.908857 O\n0.254916 0.906320 0.106988 O\n0.247227 0.156823 0.543961 O\n0.803600 0.427225 0.431130 O\n0.729381 0.088755 0.825473 O\n0.246637 0.393395 0.172258 O\n0.230647 0.589624 0.662655 O\n0.740550 0.872670 0.326114 O\n0.314418 0.723930 0.461145 O\n0.812286 0.840266 0.556780 O\n0.693144 0.206713 0.051721 O\n0.188805 0.247812 0.947876 O\n","nsites":21,"nelements":4,"elements":["Ba","Li","Ge","O"],"chemical_system":"Ba-Ge-Li-O","density":4.735674188515734,"density_atomic":0.057652655963680174,"volume":364.2503480365156,"volume_molar":10.44555651311851,"formula_full":"Ba4 Li1 Ge4 O12","formula_reduced":"Ba4Li(GeO3)4","formula_anonymous":"AB4C4D12","energy":-140.7802559,"energy_per_atom":-6.703821709523809,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.5362559,"band_gap":0.2366999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.970000Z","spacegroup":1},{"id":"mp-17391","created_at":"2022-09-04T14:42:44.374573Z","structure_string":"Sm9 Rh6\n1.0\n6.118573 -4.401757 0.000000\n6.118573 4.401757 0.000000\n2.951909 0.000000 6.935317\nSm Rh\n9 6\ndirect\n0.338221 0.834355 0.108069 Sm\n0.108069 0.338221 0.834355 Sm\n0.834355 0.108069 0.338221 Sm\n0.165645 0.891931 0.661779 Sm\n0.891931 0.661779 0.165645 Sm\n0.661779 0.165645 0.891931 Sm\n0.296890 0.296890 0.296890 Sm\n0.703110 0.703110 0.703110 Sm\n0.500000 0.500000 0.500000 Sm\n0.455517 0.090324 0.663851 Rh\n0.090324 0.663851 0.455517 Rh\n0.663851 0.455517 0.090324 Rh\n0.544483 0.909676 0.336149 Rh\n0.909676 0.336149 0.544483 Rh\n0.336149 0.544483 0.909676 Rh\n","nsites":15,"nelements":2,"elements":["Sm","Rh"],"chemical_system":"Rh-Sm","density":8.759738510262848,"density_atomic":0.0401530682775572,"volume":373.5704553463469,"volume_molar":14.997959105819971,"formula_full":"Sm9 Rh6","formula_reduced":"Sm3Rh2","formula_anonymous":"A2B3","energy":-96.70268832,"energy_per_atom":-6.4468458879999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.70268832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1402819,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.063000Z","spacegroup":148},{"id":"mp-1199138","created_at":"2022-09-04T14:42:44.457244Z","structure_string":"Mg2 H36 Br4 O18\n1.0\n0.000000 -6.522468 0.000000\n-6.030097 3.261234 0.249386\n0.104597 0.000000 -16.155847\nMg H Br O\n2 36 4 18\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.725219 0.449946 0.957174 H\n0.275274 0.550054 0.542826 H\n0.274781 0.550054 0.042826 H\n0.724726 0.449946 0.457174 H\n0.728329 0.437238 0.055118 H\n0.291091 0.562762 0.444882 H\n0.271671 0.562762 0.944882 H\n0.708909 0.437238 0.555118 H\n0.824931 0.616158 0.825384 H\n0.208773 0.383842 0.674616 H\n0.175069 0.383842 0.174616 H\n0.791227 0.616158 0.325384 H\n0.525483 0.971856 0.831323 H\n0.553627 0.028144 0.668677 H\n0.474517 0.028144 0.168677 H\n0.446373 0.971856 0.331323 H\n0.068726 0.864466 0.926462 H\n0.204260 0.135534 0.573538 H\n0.931274 0.135534 0.073538 H\n0.795740 0.864466 0.426462 H\n0.787434 0.092919 0.864809 H\n0.694515 0.907081 0.635191 H\n0.212566 0.907081 0.135191 H\n0.305485 0.092919 0.364809 H\n0.330177 0.122517 0.766816 H\n0.207660 0.877483 0.733184 H\n0.669823 0.877483 0.233184 H\n0.792340 0.122517 0.266816 H\n0.214917 0.122359 0.917381 H\n0.092558 0.877641 0.582619 H\n0.785083 0.877641 0.082619 H\n0.907442 0.122359 0.417381 H\n0.712261 0.726887 0.881722 H\n0.985374 0.273113 0.618278 H\n0.287739 0.273113 0.118278 H\n0.014626 0.726887 0.381722 H\n0.833221 0.655553 0.177864 Br\n0.177669 0.344447 0.322136 Br\n0.166779 0.344447 0.822136 Br\n0.822331 0.655553 0.677864 Br\n0.211253 0.999046 0.947759 O\n0.212207 0.000954 0.552241 O\n0.788747 0.000954 0.052241 O\n0.787793 0.999046 0.447759 O\n0.679700 0.345542 0.002768 O\n0.334158 0.654458 0.497232 O\n0.320300 0.654458 0.997232 O\n0.665842 0.345542 0.502768 O\n0.628189 0.978987 0.878569 O\n0.649201 0.021013 0.621431 O\n0.371811 0.021013 0.121431 O\n0.350799 0.978987 0.378569 O\n0.810632 0.653993 0.884098 O\n0.156639 0.346007 0.615902 O\n0.189368 0.346007 0.115902 O\n0.843361 0.653993 0.384098 O\n0.363606 0.000000 0.750000 O\n0.636394 0.000000 0.250000 O\n","nsites":60,"nelements":4,"elements":["Mg","H","Br","O"],"chemical_system":"Br-H-Mg-O","density":1.8101719899400301,"density_atomic":0.0944499132621839,"volume":635.2573329892401,"volume_molar":6.376015130138993,"formula_full":"Mg2 H36 Br4 O18","formula_reduced":"MgH18Br2O9","formula_anonymous":"AB2C9D18","energy":-302.33296692,"energy_per_atom":-5.038882782,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-287.83096692,"band_gap":4.4417,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.31e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.220000Z","spacegroup":15},{"id":"mp-1217353","created_at":"2022-09-04T14:42:44.489017Z","structure_string":"Th6 Si2 Ge2\n1.0\n0.000000 0.000000 4.129945\n7.951478 0.020930 0.000000\n0.020930 7.951478 0.000000\nTh Si Ge\n6 2 2\ndirect\n0.000000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.500000 0.177752 0.677752 Th\n0.500000 0.822248 0.322248 Th\n0.500000 0.316794 0.183206 Th\n0.500000 0.683206 0.816794 Th\n0.000000 0.886823 0.613177 Si\n0.000000 0.113177 0.386823 Si\n0.000000 0.617764 0.117764 Ge\n0.000000 0.382236 0.882236 Ge\n","nsites":10,"nelements":3,"elements":["Th","Si","Ge"],"chemical_system":"Ge-Si-Th","density":10.134750536787296,"density_atomic":0.038296846814349354,"volume":261.1181032338444,"volume_molar":15.724899726584221,"formula_full":"Th6 Si2 Ge2","formula_reduced":"Th3SiGe","formula_anonymous":"ABC3","energy":-71.34349026,"energy_per_atom":-7.134349026,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.34349026,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.467000Z","spacegroup":65},{"id":"mp-1028279","created_at":"2022-09-04T14:42:44.633679Z","structure_string":"Mg14 V1 W1\n1.0\n6.240636 0.000000 -0.000000\n-3.120318 5.404549 -0.000000\n0.000000 -0.000000 9.979799\nMg V W\n14 1 1\ndirect\n0.168999 0.834499 0.125000 Mg\n0.168441 0.834220 0.625000 Mg\n0.665501 0.331001 0.125000 Mg\n0.665780 0.331559 0.625000 Mg\n0.665501 0.834499 0.125000 Mg\n0.665780 0.834220 0.625000 Mg\n0.326093 0.173907 0.379368 Mg\n0.326093 0.173907 0.870632 Mg\n0.326093 0.652187 0.379368 Mg\n0.326093 0.652187 0.870632 Mg\n0.847813 0.173907 0.379368 Mg\n0.847813 0.173907 0.870632 Mg\n0.833333 0.666667 0.375073 Mg\n0.833333 0.666667 0.874927 Mg\n0.166667 0.333333 0.125000 V\n0.166667 0.333333 0.625000 W\n","nsites":16,"nelements":3,"elements":["Mg","V","W"],"chemical_system":"Mg-V-W","density":2.8369111416976027,"density_atomic":0.047534603700209066,"volume":336.59689477814305,"volume_molar":12.66896174833054,"formula_full":"Mg14 V1 W1","formula_reduced":"Mg14VW","formula_anonymous":"ABC14","energy":-40.76031995,"energy_per_atom":-2.547519996875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.76031995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9568523,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.915000Z","spacegroup":187},{"id":"mp-1209977","created_at":"2022-09-04T14:42:44.685436Z","structure_string":"Nd4 As4 O8\n1.0\n-3.305170 3.305170 6.001467\n3.305170 -3.305170 6.001467\n3.305170 3.305170 -6.001467\nNd As O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Nd\n0.375000 0.625000 0.750000 Nd\n0.375000 0.625000 0.250000 Nd\n0.375000 0.125000 0.750000 Nd\n0.375000 0.125000 0.250000 As\n0.875000 0.125000 0.750000 As\n0.875000 0.125000 0.250000 As\n0.875000 0.625000 0.750000 As\n0.171878 0.416204 0.244327 O\n0.171878 0.927551 0.755673 O\n0.166204 0.421878 0.744327 O\n0.578122 0.833796 0.255673 O\n0.677551 0.421878 0.255673 O\n0.578122 0.322449 0.744327 O\n0.583796 0.828122 0.755673 O\n0.072449 0.828122 0.244327 O\n","nsites":16,"nelements":3,"elements":["Nd","As","O"],"chemical_system":"As-Nd-O","density":6.361487748348873,"density_atomic":0.06101195828167181,"volume":262.2436723983412,"volume_molar":9.87042692876336,"formula_full":"Nd4 As4 O8","formula_reduced":"NdAsO2","formula_anonymous":"ABC2","energy":-108.85690953,"energy_per_atom":-6.803556845625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.36090953,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002162,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.851000Z","spacegroup":141},{"id":"mp-12761","created_at":"2022-09-04T14:42:44.692021Z","structure_string":"Be1 Au2\n1.0\n-1.469731 1.469731 5.114479\n1.469731 -1.469731 5.114479\n1.469731 1.469731 -5.114479\nBe Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.358403 0.358403 0.000000 Au\n0.641597 0.641597 0.000000 Au\n","nsites":3,"nelements":2,"elements":["Be","Au"],"chemical_system":"Au-Be","density":15.141123901598716,"density_atomic":0.06788661506097532,"volume":44.1913328173075,"volume_molar":8.870880886594438,"formula_full":"Be1 Au2","formula_reduced":"BeAu2","formula_anonymous":"AB2","energy":-10.69448173,"energy_per_atom":-3.5648272433333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.69448173,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.35e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.759000Z","spacegroup":139},{"id":"mp-756362","created_at":"2022-09-04T14:42:45.518358Z","structure_string":"Li4 Cr4 O8\n1.0\n2.953356 5.129190 0.009768\n-2.953364 1.718934 4.832575\n5.918675 -0.006907 0.009769\nLi Cr O\n4 4 8\ndirect\n0.499953 0.499955 0.500041 Li\n0.999902 0.500043 0.000081 Li\n0.500022 0.999951 0.499972 Li\n0.499986 0.500027 0.000083 Li\n0.500034 0.000022 0.999975 Cr\n0.000054 0.000313 0.500326 Cr\n0.000475 0.999681 0.999630 Cr\n0.999687 0.500004 0.499818 Cr\n0.243255 0.241141 0.484444 O\n0.772287 0.243258 0.484391 O\n0.243310 0.772267 0.015682 O\n0.758918 0.756693 0.984334 O\n0.241098 0.243341 0.015517 O\n0.756689 0.227698 0.984485 O\n0.227721 0.756639 0.515581 O\n0.756610 0.758966 0.515642 O\n","nsites":16,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":4.111590520886858,"density_atomic":0.10891441937812944,"volume":146.90433178045183,"volume_molar":5.52924102647264,"formula_full":"Li4 Cr4 O8","formula_reduced":"LiCrO2","formula_anonymous":"ABC2","energy":-124.34462839,"energy_per_atom":-7.771539274375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.85262839,"band_gap":2.7471000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.014000Z","spacegroup":227},{"id":"mp-774926","created_at":"2022-09-04T14:42:44.391526Z","structure_string":"Eu4 H16 S8 N4 O32\n1.0\n7.220849 0.000000 0.000000\n0.000000 8.996478 0.000000\n0.000000 0.257261 10.876215\nEu H S N O\n4 16 8 4 32\ndirect\n0.329119 0.947667 0.848088 Eu\n0.170881 0.947667 0.348088 Eu\n0.829119 0.052333 0.651912 Eu\n0.670881 0.052333 0.151912 Eu\n0.548208 0.649090 0.653095 H\n0.951792 0.649090 0.153095 H\n0.769264 0.601593 0.617967 H\n0.730736 0.601593 0.117967 H\n0.668679 0.536270 0.747995 H\n0.831321 0.536270 0.247995 H\n0.100408 0.526515 0.887824 H\n0.399592 0.526515 0.387824 H\n0.600408 0.473485 0.612176 H\n0.899592 0.473485 0.112176 H\n0.168679 0.463730 0.752005 H\n0.331321 0.463730 0.252005 H\n0.269264 0.398407 0.882033 H\n0.230736 0.398407 0.382033 H\n0.048208 0.350910 0.846905 H\n0.451792 0.350910 0.346905 H\n0.832238 0.825139 0.886807 S\n0.667762 0.825139 0.386807 S\n0.164615 0.736600 0.584829 S\n0.335385 0.736600 0.084829 S\n0.664615 0.263400 0.915171 S\n0.835385 0.263400 0.415171 S\n0.332238 0.174861 0.613193 S\n0.167762 0.174861 0.113193 S\n0.646618 0.565977 0.657107 N\n0.853382 0.565977 0.157107 N\n0.146618 0.434023 0.842893 N\n0.353382 0.434023 0.342893 N\n0.988604 0.899444 0.816491 O\n0.511396 0.899444 0.316491 O\n0.672883 0.885762 0.511559 O\n0.664814 0.871021 0.811470 O\n0.049783 0.873555 0.558071 O\n0.827117 0.885762 0.011559 O\n0.835186 0.871021 0.311470 O\n0.450217 0.873555 0.058071 O\n0.307084 0.768481 0.679828 O\n0.192916 0.768481 0.179828 O\n0.241899 0.712322 0.964524 O\n0.258101 0.712322 0.464524 O\n0.849023 0.663664 0.890862 O\n0.650977 0.663664 0.390862 O\n0.048373 0.611339 0.623456 O\n0.451627 0.611339 0.123456 O\n0.548373 0.388661 0.876544 O\n0.951627 0.388661 0.376544 O\n0.349023 0.336336 0.609138 O\n0.150977 0.336336 0.109138 O\n0.741899 0.287678 0.535476 O\n0.758101 0.287678 0.035476 O\n0.807084 0.231519 0.820172 O\n0.692916 0.231519 0.320172 O\n0.549783 0.126445 0.941929 O\n0.164814 0.128979 0.688530 O\n0.172883 0.114238 0.988441 O\n0.950217 0.126445 0.441929 O\n0.335186 0.128979 0.188530 O\n0.327117 0.114238 0.488441 O\n0.488604 0.100556 0.683509 O\n0.011396 0.100556 0.183509 O\n","nsites":64,"nelements":5,"elements":["Eu","H","S","N","O"],"chemical_system":"Eu-H-N-O-S","density":3.4043344330999585,"density_atomic":0.09058189548880125,"volume":706.5429538059557,"volume_molar":6.648283001258817,"formula_full":"Eu4 H16 S8 N4 O32","formula_reduced":"EuH4S2NO8","formula_anonymous":"ABC2D4E8","energy":-434.60078794,"energy_per_atom":-6.7906373115625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-411.17278794,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9999998,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.901000Z","spacegroup":14},{"id":"mp-560607","created_at":"2022-09-04T14:42:44.395116Z","structure_string":"Sb4 O6\n1.0\n3.354318 0.000000 0.000000\n0.000000 4.029189 0.000000\n0.000000 0.000000 13.272958\nSb O\n4 6\ndirect\n0.500000 0.353443 0.366239 Sb\n0.000000 0.646557 0.133761 Sb\n0.000000 0.646557 0.866239 Sb\n0.500000 0.353443 0.633761 Sb\n0.000000 0.621102 0.677803 O\n0.500000 0.378898 0.822197 O\n0.000000 0.409592 0.000000 O\n0.500000 0.590408 0.500000 O\n0.500000 0.378898 0.177803 O\n0.000000 0.621102 0.322197 O\n","nsites":10,"nelements":2,"elements":["Sb","O"],"chemical_system":"O-Sb","density":5.3970342527436195,"density_atomic":0.055745576035725025,"volume":179.38643227206794,"volume_molar":10.802903455765996,"formula_full":"Sb4 O6","formula_reduced":"Sb2O3","formula_anonymous":"A2B3","energy":-62.01975552,"energy_per_atom":-6.2019755519999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.89775552,"band_gap":1.4788999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.488000Z","spacegroup":59},{"id":"mp-4013","created_at":"2022-09-04T14:42:44.397748Z","structure_string":"Nd1 Si2 Ru2\n1.0\n-2.112279 2.112279 4.916098\n2.112279 -2.112279 4.916098\n2.112279 2.112279 -4.916098\nNd Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.635667 0.635667 0.000000 Si\n0.364333 0.364333 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n","nsites":5,"nelements":3,"elements":["Nd","Si","Ru"],"chemical_system":"Nd-Ru-Si","density":7.618843964250358,"density_atomic":0.05698845965257719,"volume":87.73706168725838,"volume_molar":10.567298706989462,"formula_full":"Nd1 Si2 Ru2","formula_reduced":"Nd(SiRu)2","formula_anonymous":"AB2C2","energy":-38.46139214,"energy_per_atom":-7.692278428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.60339214,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021715,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.898000Z","spacegroup":139},{"id":"mp-721324","created_at":"2022-09-04T14:42:44.400960Z","structure_string":"Gd4 Mo6 O24\n1.0\n7.514319 0.000000 0.000000\n0.000000 7.514319 0.000000\n0.000000 0.000000 10.815304\nGd Mo O\n4 6 24\ndirect\n0.687407 0.187407 0.261811 Gd\n0.312593 0.812593 0.261811 Gd\n0.187407 0.312593 0.738189 Gd\n0.812593 0.687407 0.738189 Gd\n0.707245 0.207245 0.643038 Mo\n0.292755 0.792755 0.643038 Mo\n0.207245 0.292755 0.356962 Mo\n0.792755 0.707245 0.356962 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.695145 0.195145 0.478958 O\n0.304855 0.804855 0.478958 O\n0.195145 0.304855 0.521042 O\n0.804855 0.695145 0.521042 O\n0.126837 0.626837 0.689598 O\n0.873163 0.373163 0.689598 O\n0.626837 0.873163 0.310402 O\n0.373163 0.126837 0.310402 O\n0.275485 0.503843 0.298354 O\n0.724515 0.496157 0.298354 O\n0.003843 0.775485 0.298354 O\n0.996157 0.224515 0.298354 O\n0.503843 0.724515 0.701646 O\n0.496157 0.275485 0.701646 O\n0.224515 0.003843 0.701646 O\n0.775485 0.996157 0.701646 O\n0.310775 0.459182 0.903224 O\n0.689225 0.540818 0.903224 O\n0.959182 0.810775 0.903224 O\n0.040818 0.189225 0.903224 O\n0.459182 0.689225 0.096776 O\n0.540818 0.310775 0.096776 O\n0.189225 0.959182 0.096776 O\n0.810775 0.040818 0.096776 O\n","nsites":34,"nelements":3,"elements":["Gd","Mo","O"],"chemical_system":"Gd-Mo-O","density":4.319690856347585,"density_atomic":0.05567509028624471,"volume":610.6860325720955,"volume_molar":10.816580142103247,"formula_full":"Gd4 Mo6 O24","formula_reduced":"Gd2(MoO4)3","formula_anonymous":"A2B3C12","energy":-329.72900731,"energy_per_atom":-9.697911979705882,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.02900731,"band_gap":2.9179,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9996407,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.821000Z","spacegroup":113}]}