{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10129","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=10127","results":[{"id":"mp-645158","created_at":"2022-09-04T14:39:12.437346Z","structure_string":"La4 Mn4 O12\n1.0\n10.297857 0.000000 0.000000\n0.000000 5.674393 0.000000\n0.000000 1.996465 5.703882\nLa Mn O\n4 4 12\ndirect\n0.667733 0.028421 0.498110 La\n0.167733 0.971579 0.001890 La\n0.832267 0.028421 0.998110 La\n0.332267 0.971579 0.501890 La\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.373505 0.225313 0.065524 O\n0.141447 0.741102 0.419980 O\n0.005682 0.167492 0.147767 O\n0.626495 0.774687 0.934476 O\n0.858553 0.258898 0.580020 O\n0.505682 0.832508 0.352233 O\n0.126495 0.225313 0.565524 O\n0.358553 0.741102 0.919980 O\n0.994318 0.832508 0.852233 O\n0.494318 0.167492 0.647767 O\n0.873505 0.774687 0.434476 O\n0.641447 0.258898 0.080020 O\n","nsites":20,"nelements":3,"elements":["La","Mn","O"],"chemical_system":"La-Mn-O","density":4.8195168444997165,"density_atomic":0.06000579520120905,"volume":333.3011408804232,"volume_molar":10.035931929252495,"formula_full":"La4 Mn4 O12","formula_reduced":"LaMnO3","formula_anonymous":"ABC3","energy":-170.04589602,"energy_per_atom":-8.502294801,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.12989602,"band_gap":0.6482999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0006786,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.420000Z","spacegroup":14},{"id":"mp-1247677","created_at":"2022-09-04T14:39:12.390816Z","structure_string":"Ca8 Mn6 Al2 O20\n1.0\n7.947905 0.000000 -0.143404\n0.000000 7.550163 0.000000\n-0.133328 0.000000 7.603847\nCa Mn Al O\n8 6 2 20\ndirect\n0.293582 0.257803 0.221439 Ca\n0.229595 0.266101 0.740477 Ca\n0.293582 0.742197 0.221439 Ca\n0.229595 0.733899 0.740477 Ca\n0.742617 0.269423 0.264319 Ca\n0.777429 0.264834 0.726000 Ca\n0.742617 0.730577 0.264319 Ca\n0.777429 0.735166 0.726000 Ca\n0.995951 0.500000 0.977031 Mn\n0.997852 0.500000 0.473737 Mn\n0.550818 0.000000 0.998431 Mn\n0.490253 0.000000 0.532501 Mn\n0.497370 0.500000 0.981853 Mn\n0.498827 0.500000 0.490886 Mn\n0.987265 0.000000 0.039529 Al\n0.050902 0.000000 0.451250 Al\n0.951407 0.500000 0.223463 O\n0.024095 0.500000 0.723827 O\n0.481772 0.000000 0.257458 O\n0.633590 0.000000 0.759871 O\n0.523253 0.500000 0.238934 O\n0.125870 0.000000 0.231389 O\n0.235261 0.000000 0.593403 O\n0.252548 0.500000 0.997208 O\n0.251232 0.500000 0.465255 O\n0.784650 0.000000 0.124348 O\n0.732748 0.500000 0.928995 O\n0.740548 0.500000 0.510835 O\n0.017940 0.202163 0.929384 O\n0.943904 0.201280 0.484950 O\n0.017940 0.797837 0.929384 O\n0.943904 0.798720 0.484950 O\n0.466567 0.242500 0.969145 O\n0.500259 0.253529 0.539187 O\n0.466567 0.757500 0.969145 O\n0.500259 0.746471 0.539187 O\n","nsites":36,"nelements":4,"elements":["Ca","Mn","Al","O"],"chemical_system":"Al-Ca-Mn-O","density":3.7284673418768284,"density_atomic":0.07892190432257253,"volume":456.1471280882867,"volume_molar":7.630506146159478,"formula_full":"Ca8 Mn6 Al2 O20","formula_reduced":"Ca4Mn3AlO10","formula_anonymous":"AB3C4D10","energy":-276.94951707,"energy_per_atom":-7.693042140833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.20151707,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0002487,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.255000Z","spacegroup":6},{"id":"mp-1213557","created_at":"2022-09-04T14:39:12.547106Z","structure_string":"Dy4 S6 O40\n1.0\n3.331570 6.785853 0.000000\n-3.331570 6.785853 0.000000\n0.000000 2.595246 17.986785\nDy S O\n4 6 40\ndirect\n0.815256 0.844471 0.892774 Dy\n0.184744 0.155529 0.107226 Dy\n0.155529 0.184744 0.607226 Dy\n0.844471 0.815256 0.392774 Dy\n0.753039 0.804863 0.591867 S\n0.246961 0.195137 0.408133 S\n0.195137 0.246961 0.908133 S\n0.804863 0.753039 0.091867 S\n0.720082 0.279918 0.750000 S\n0.279918 0.720082 0.250000 S\n0.341767 0.279542 0.688314 O\n0.658233 0.720458 0.311686 O\n0.720458 0.658233 0.811686 O\n0.279542 0.341767 0.188314 O\n0.301314 0.386398 0.576051 O\n0.698686 0.613602 0.423949 O\n0.613602 0.698686 0.923949 O\n0.386398 0.301314 0.076051 O\n0.521727 0.877947 0.615072 O\n0.478273 0.122053 0.384928 O\n0.122053 0.478273 0.884928 O\n0.877947 0.521727 0.115072 O\n0.757963 0.897094 0.515065 O\n0.242037 0.102906 0.484935 O\n0.102906 0.242037 0.984935 O\n0.897094 0.757963 0.015065 O\n0.550763 0.376028 0.692634 O\n0.449237 0.623972 0.307366 O\n0.623972 0.449237 0.807366 O\n0.376028 0.550763 0.192634 O\n0.814952 0.883617 0.647050 O\n0.185048 0.116383 0.352950 O\n0.116383 0.185048 0.852950 O\n0.883617 0.814952 0.147050 O\n0.444631 0.096595 0.907834 O\n0.555369 0.903405 0.092166 O\n0.903405 0.555369 0.592166 O\n0.096595 0.444631 0.407834 O\n0.101955 0.880558 0.616559 O\n0.898045 0.119442 0.383441 O\n0.119442 0.898045 0.883441 O\n0.880558 0.101955 0.116559 O\n0.821709 0.107986 0.945164 O\n0.178291 0.892014 0.054836 O\n0.892014 0.178291 0.554836 O\n0.107986 0.821709 0.445164 O\n0.768169 0.069204 0.787617 O\n0.231831 0.930796 0.212383 O\n0.930796 0.231831 0.712383 O\n0.069204 0.768169 0.287617 O\n","nsites":50,"nelements":3,"elements":["Dy","S","O"],"chemical_system":"Dy-O-S","density":3.026687711626111,"density_atomic":0.06147988904991627,"volume":813.2740766562606,"volume_molar":9.795301932166062,"formula_full":"Dy4 S6 O40","formula_reduced":"Dy2S3O20","formula_anonymous":"A2B3C20","energy":-298.66035828,"energy_per_atom":-5.973207165600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.18035828,"band_gap":0.4167999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.1027368,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.511000Z","spacegroup":15},{"id":"mp-1093611","created_at":"2022-09-04T14:39:12.441175Z","structure_string":"Li2 Cd1 Rh1\n1.0\n-4.400583 5.386036 7.728558\n4.400583 -5.386036 7.728558\n4.400583 5.386036 -7.728558\nLi Cd Rh\n2 1 1\ndirect\n0.778203 0.000000 0.778203 Li\n0.221797 0.000000 0.221797 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Cd","Rh"],"chemical_system":"Cd-Li-Rh","density":0.5194251072268911,"density_atomic":0.005459112709864014,"volume":732.7198049551974,"volume_molar":110.31354507699861,"formula_full":"Li2 Cd1 Rh1","formula_reduced":"Li2CdRh","formula_anonymous":"ABC2","energy":-6.44524085,"energy_per_atom":-1.6113102125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.44524085,"band_gap":0.1512000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.560000Z","spacegroup":71},{"id":"mp-18743","created_at":"2022-09-04T14:39:12.456008Z","structure_string":"Ca2 Mn2 P4 O14\n1.0\n6.635497 0.000000 0.000000\n0.885348 6.608392 0.000000\n0.454439 2.709513 6.241492\nCa Mn P O\n2 2 4 14\ndirect\n0.857877 0.274427 0.169687 Ca\n0.142123 0.725573 0.830313 Ca\n0.650474 0.103324 0.767238 Mn\n0.349526 0.896676 0.232762 Mn\n0.145800 0.228483 0.748318 P\n0.854200 0.771517 0.251682 P\n0.630806 0.640391 0.671965 P\n0.369194 0.359609 0.328035 P\n0.773350 0.609304 0.479176 O\n0.226650 0.390696 0.520824 O\n0.980942 0.102705 0.715611 O\n0.019058 0.897295 0.284389 O\n0.582004 0.259164 0.422950 O\n0.417996 0.740836 0.577050 O\n0.369258 0.596496 0.159572 O\n0.630742 0.403504 0.840428 O\n0.930458 0.618786 0.140496 O\n0.069542 0.381214 0.859504 O\n0.674449 0.947193 0.138141 O\n0.325551 0.052807 0.861859 O\n0.266032 0.209065 0.257563 O\n0.733968 0.790935 0.742437 O\n","nsites":22,"nelements":4,"elements":["Ca","Mn","P","O"],"chemical_system":"Ca-Mn-O-P","density":3.2636839686113768,"density_atomic":0.08038314771670134,"volume":273.6892075629557,"volume_molar":7.491795147440799,"formula_full":"Ca2 Mn2 P4 O14","formula_reduced":"CaMnP2O7","formula_anonymous":"ABC2D7","energy":-177.09917005,"energy_per_atom":-8.049962275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.14517005,"band_gap":3.4785000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.961000Z","spacegroup":2},{"id":"mp-774498","created_at":"2022-09-04T14:39:12.457405Z","structure_string":"Li3 Ti1 Fe2 O6\n1.0\n1.493093 6.533929 0.000000\n-1.493093 6.533929 0.000000\n0.000000 1.408345 5.857394\nLi Ti Fe O\n3 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.667917 0.667917 0.668855 Li\n0.332083 0.332083 0.331145 Li\n0.000000 0.000000 0.500000 Ti\n0.671320 0.671320 0.157021 Fe\n0.328680 0.328680 0.842979 Fe\n0.155027 0.155027 0.413682 O\n0.833590 0.833590 0.074082 O\n0.844973 0.844973 0.586318 O\n0.499961 0.499961 0.722781 O\n0.500039 0.500039 0.277219 O\n0.166410 0.166410 0.925918 O\n","nsites":12,"nelements":4,"elements":["Li","Ti","Fe","O"],"chemical_system":"Fe-Li-O-Ti","density":4.015636092179985,"density_atomic":0.10499909165790382,"volume":114.28670296593656,"volume_molar":5.73542176880983,"formula_full":"Li3 Ti1 Fe2 O6","formula_reduced":"Li3Ti(FeO3)2","formula_anonymous":"AB2C3D6","energy":-88.11293939,"energy_per_atom":-7.342744949166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.47893939,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.9955386,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.600000Z","spacegroup":12},{"id":"mp-1177861","created_at":"2022-09-04T14:39:12.547681Z","structure_string":"Li8 Ti4 Co12 O32\n1.0\n8.101266 0.000000 0.000000\n-0.008888 8.457981 0.000000\n-0.014470 -0.026651 8.530652\nLi Ti Co O\n8 4 12 32\ndirect\n0.006699 0.001060 0.999680 Li\n0.743852 0.751177 0.750930 Li\n0.254689 0.751876 0.246640 Li\n0.994108 0.497009 0.500196 Li\n0.494965 0.502928 0.997037 Li\n0.754836 0.249748 0.254024 Li\n0.243261 0.248595 0.751542 Li\n0.506800 0.997904 0.500357 Li\n0.124785 0.869340 0.623725 Ti\n0.873220 0.635076 0.112181 Ti\n0.371314 0.365810 0.387527 Ti\n0.628487 0.125722 0.878303 Ti\n0.870615 0.877923 0.377251 Co\n0.618964 0.870676 0.123440 Co\n0.374275 0.879949 0.871352 Co\n0.624254 0.620846 0.371028 Co\n0.383687 0.630495 0.628924 Co\n0.130994 0.625563 0.879073 Co\n0.628893 0.375079 0.624510 Co\n0.881622 0.370664 0.871421 Co\n0.124807 0.379091 0.128266 Co\n0.875319 0.120778 0.626818 Co\n0.121800 0.125456 0.375852 Co\n0.370029 0.121939 0.119972 Co\n0.881689 0.897196 0.619452 O\n0.113204 0.880738 0.393839 O\n0.382417 0.884639 0.095470 O\n0.864036 0.860981 0.133480 O\n0.606382 0.890516 0.883636 O\n0.632169 0.852841 0.358564 O\n0.365741 0.872543 0.646303 O\n0.142411 0.868692 0.857917 O\n0.849184 0.632428 0.362214 O\n0.638273 0.630751 0.129013 O\n0.366516 0.654420 0.865034 O\n0.399345 0.613355 0.381843 O\n0.137879 0.642816 0.630412 O\n0.614810 0.608317 0.618740 O\n0.886927 0.618796 0.889683 O\n0.113704 0.615474 0.117303 O\n0.615441 0.391829 0.383310 O\n0.384171 0.382209 0.608992 O\n0.115199 0.390275 0.889425 O\n0.639138 0.356941 0.869479 O\n0.901173 0.387512 0.118852 O\n0.868104 0.345742 0.635864 O\n0.136447 0.368468 0.365525 O\n0.348581 0.369841 0.137084 O\n0.642596 0.132192 0.641277 O\n0.867182 0.128810 0.855219 O\n0.135387 0.137379 0.143214 O\n0.104906 0.111798 0.613607 O\n0.369015 0.142076 0.366121 O\n0.881293 0.111828 0.402004 O\n0.611122 0.119798 0.107379 O\n0.383145 0.104094 0.879556 O\n","nsites":56,"nelements":4,"elements":["Li","Ti","Co","O"],"chemical_system":"Co-Li-O-Ti","density":4.165173780311843,"density_atomic":0.09580456513536156,"volume":584.5232940714047,"volume_molar":6.285859918565845,"formula_full":"Li8 Ti4 Co12 O32","formula_reduced":"Li2TiCo3O8","formula_anonymous":"AB2C3D8","energy":-398.15658791,"energy_per_atom":-7.109939069821428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-356.51658791,"band_gap":0.0011000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0568208,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.688000Z","spacegroup":1},{"id":"mp-777355","created_at":"2022-09-04T14:39:12.447109Z","structure_string":"Li8 Mn8 F24\n1.0\n5.035124 0.000000 0.000000\n0.000000 8.902549 0.000000\n0.000000 0.000000 10.775429\nLi Mn F\n8 8 24\ndirect\n0.503185 0.786158 0.098700 Li\n0.996815 0.786158 0.598700 Li\n0.503185 0.713842 0.598700 Li\n0.996815 0.713842 0.098700 Li\n0.003185 0.286158 0.901300 Li\n0.496815 0.286158 0.401300 Li\n0.003185 0.213842 0.401300 Li\n0.496815 0.213842 0.901300 Li\n0.995255 0.913779 0.862165 Mn\n0.504745 0.913779 0.362165 Mn\n0.995255 0.586221 0.362165 Mn\n0.504745 0.586221 0.862165 Mn\n0.004745 0.413779 0.637835 Mn\n0.495255 0.413779 0.137835 Mn\n0.004745 0.086221 0.137835 Mn\n0.495255 0.086221 0.637835 Mn\n0.221886 0.913041 0.696035 F\n0.278114 0.913041 0.196035 F\n0.805999 0.901917 0.044614 F\n0.694001 0.901917 0.544614 F\n0.750000 0.750000 0.776004 F\n0.750000 0.750000 0.276004 F\n0.250000 0.750000 0.958256 F\n0.250000 0.750000 0.458256 F\n0.694001 0.598083 0.044614 F\n0.805999 0.598083 0.544614 F\n0.221886 0.586959 0.196035 F\n0.278114 0.586959 0.696035 F\n0.778114 0.413041 0.803965 F\n0.721886 0.413041 0.303965 F\n0.305999 0.401917 0.955386 F\n0.194001 0.401917 0.455386 F\n0.750000 0.250000 0.541744 F\n0.750000 0.250000 0.041744 F\n0.250000 0.250000 0.723996 F\n0.250000 0.250000 0.223996 F\n0.305999 0.098083 0.455386 F\n0.194001 0.098083 0.955386 F\n0.778114 0.086959 0.303965 F\n0.721886 0.086959 0.803965 F\n","nsites":40,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.2693978929491996,"density_atomic":0.08281345016564887,"volume":483.01332597530217,"volume_molar":7.271935594947585,"formula_full":"Li8 Mn8 F24","formula_reduced":"LiMnF3","formula_anonymous":"ABC3","energy":-255.48860563,"energy_per_atom":-6.3872151407499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-231.05660563,"band_gap":3.5243,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0001332,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.051000Z","spacegroup":56},{"id":"mp-31186","created_at":"2022-09-04T14:39:12.495264Z","structure_string":"Al1 Fe2 Ni1\n1.0\n0.000000 2.868191 2.868191\n2.868191 0.000000 2.868191\n2.868191 2.868191 0.000000\nAl Fe Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Ni\n","nsites":4,"nelements":3,"elements":["Al","Fe","Ni"],"chemical_system":"Al-Fe-Ni","density":6.944882454526565,"density_atomic":0.08476289661970676,"volume":47.19045902768298,"volume_molar":7.104689669842991,"formula_full":"Al1 Fe2 Ni1","formula_reduced":"AlFe2Ni","formula_anonymous":"ABC2","energy":-26.8431551,"energy_per_atom":-6.710788775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.8431551,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.2439238,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.600000Z","spacegroup":225},{"id":"mp-734395","created_at":"2022-09-04T14:39:12.499579Z","structure_string":"Cu2 N12 Cl6 O24\n1.0\n9.115362 0.000000 0.000000\n0.000000 9.115362 0.000000\n0.000000 0.000000 8.189426\nCu N Cl O\n2 12 6 24\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.357082 0.652463 0.005184 N\n0.142918 0.152463 0.994816 N\n0.642918 0.347537 0.005184 N\n0.857082 0.847537 0.994816 N\n0.652463 0.642918 0.994816 N\n0.847537 0.142918 0.005184 N\n0.347537 0.357082 0.994816 N\n0.152463 0.857082 0.005184 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.597790 N\n0.500000 0.000000 0.402210 N\n0.000000 0.500000 0.068438 Cl\n0.500000 0.000000 0.931562 Cl\n0.256580 0.756580 0.527552 Cl\n0.243420 0.256580 0.472448 Cl\n0.743420 0.243420 0.527552 Cl\n0.756580 0.743420 0.472448 Cl\n0.092395 0.592395 0.166589 O\n0.407605 0.092395 0.833411 O\n0.907605 0.407605 0.166589 O\n0.592395 0.907605 0.833411 O\n0.910764 0.589236 0.952222 O\n0.589236 0.089236 0.047778 O\n0.089236 0.410764 0.952222 O\n0.410764 0.910764 0.047778 O\n0.275633 0.593083 0.526753 O\n0.224367 0.093083 0.473247 O\n0.724367 0.406917 0.526753 O\n0.775633 0.906917 0.473247 O\n0.593083 0.724367 0.473247 O\n0.906917 0.224367 0.526753 O\n0.406917 0.275633 0.473247 O\n0.093083 0.775633 0.526753 O\n0.317571 0.817571 0.672757 O\n0.182429 0.317571 0.327243 O\n0.682429 0.182429 0.672757 O\n0.817571 0.682429 0.327243 O\n0.316343 0.816343 0.378109 O\n0.183657 0.316343 0.621891 O\n0.683657 0.183657 0.378109 O\n0.816343 0.683657 0.621891 O\n","nsites":44,"nelements":4,"elements":["Cu","N","Cl","O"],"chemical_system":"Cl-Cu-N-O","density":2.17646792273309,"density_atomic":0.06466233339315451,"volume":680.4579682034498,"volume_molar":9.31321287678359,"formula_full":"Cu2 N12 Cl6 O24","formula_reduced":"CuN6(ClO4)3","formula_anonymous":"AB3C6D12","energy":-186.77869186,"energy_per_atom":-4.244970269545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.29069186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.8398287,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.604000Z","spacegroup":113},{"id":"mp-32749","created_at":"2022-09-04T14:39:12.558638Z","structure_string":"Nd2 O6\n1.0\n1.837142 3.787136 0.000000\n-1.837142 3.787136 0.000000\n0.000000 2.948430 6.851997\nNd O\n2 6\ndirect\n0.563874 0.563874 0.721206 Nd\n0.436126 0.436126 0.278794 Nd\n0.708537 0.708537 0.368517 O\n0.000000 0.000000 0.500000 O\n0.229509 0.229509 0.032619 O\n0.770491 0.770491 0.967381 O\n0.000000 0.000000 0.000000 O\n0.291463 0.291463 0.631483 O\n","nsites":8,"nelements":2,"elements":["Nd","O"],"chemical_system":"Nd-O","density":6.696109016746541,"density_atomic":0.08390526238963193,"volume":95.34562877415601,"volume_molar":7.177309966608422,"formula_full":"Nd2 O6","formula_reduced":"NdO3","formula_anonymous":"AB3","energy":-56.25088687,"energy_per_atom":-7.03136085875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.12888687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0063931,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.207000Z","spacegroup":12},{"id":"mp-774386","created_at":"2022-09-04T14:39:12.462233Z","structure_string":"Li4 Cr6 P8 H8 O32\n1.0\n8.208844 0.000000 0.000000\n0.000000 9.089174 0.000000\n0.000000 2.168442 9.026718\nLi Cr P H O\n4 6 8 8 32\ndirect\n0.334382 0.016009 0.021979 Li\n0.165618 0.016009 0.521979 Li\n0.834382 0.983991 0.478021 Li\n0.665618 0.983991 0.978021 Li\n0.500000 0.500000 0.000000 Cr\n0.147634 0.640322 0.003729 Cr\n0.647634 0.359678 0.496271 Cr\n0.000000 0.500000 0.500000 Cr\n0.352366 0.640322 0.503729 Cr\n0.852366 0.359678 0.996271 Cr\n0.569372 0.169571 0.228451 P\n0.810365 0.627122 0.203567 P\n0.310365 0.372878 0.296433 P\n0.069372 0.830429 0.271549 P\n0.930628 0.169571 0.728451 P\n0.689635 0.627122 0.703567 P\n0.189635 0.372878 0.796433 P\n0.430628 0.830429 0.771549 P\n0.991560 0.116162 0.208807 H\n0.040403 0.276637 0.228036 H\n0.540403 0.723363 0.271964 H\n0.491560 0.883838 0.291193 H\n0.508440 0.116162 0.708807 H\n0.459597 0.276637 0.728036 H\n0.959597 0.723363 0.771964 H\n0.008440 0.883838 0.791193 H\n0.634682 0.315480 0.120648 O\n0.996253 0.223260 0.153611 O\n0.933768 0.561422 0.112775 O\n0.538577 0.043926 0.146620 O\n0.299880 0.479647 0.139160 O\n0.644798 0.668501 0.134915 O\n0.169549 0.874210 0.130641 O\n0.385749 0.213716 0.272663 O\n0.885749 0.786284 0.227337 O\n0.669549 0.125790 0.369359 O\n0.144798 0.331499 0.365085 O\n0.799880 0.520353 0.360840 O\n0.038577 0.956074 0.353380 O\n0.433768 0.438578 0.387225 O\n0.496253 0.776740 0.346389 O\n0.134682 0.684520 0.379352 O\n0.865318 0.315480 0.620648 O\n0.503747 0.223260 0.653611 O\n0.566232 0.561422 0.612775 O\n0.961423 0.043926 0.646620 O\n0.200120 0.479647 0.639160 O\n0.855202 0.668501 0.634915 O\n0.330451 0.874210 0.630641 O\n0.114251 0.213716 0.772663 O\n0.614251 0.786284 0.727337 O\n0.830451 0.125790 0.869359 O\n0.355202 0.331499 0.865085 O\n0.700120 0.520353 0.860840 O\n0.461423 0.956074 0.853380 O\n0.066232 0.438578 0.887225 O\n0.003747 0.776740 0.846389 O\n0.365318 0.684520 0.879352 O\n","nsites":58,"nelements":5,"elements":["Li","Cr","P","H","O"],"chemical_system":"Cr-H-Li-O-P","density":2.7307752189994194,"density_atomic":0.08611755648235114,"volume":673.4979761285548,"volume_molar":6.992930368657373,"formula_full":"Li4 Cr6 P8 H8 O32","formula_reduced":"Li2Cr3P4(HO4)4","formula_anonymous":"A2B3C4D4E16","energy":-427.33001587,"energy_per_atom":-7.367758894310345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-393.35201587,"band_gap":2.8400000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.405000Z","spacegroup":14}]}