{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=67","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=65","results":[{"id":"mp-1186624","created_at":"2022-09-04T14:39:15.159606Z","structure_string":"Pm1 Gd1 In2\n1.0\n0.000000 3.834778 3.834778\n3.834778 0.000000 3.834778\n3.834778 3.834778 0.000000\nPm Gd In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Gd\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n","nsites":4,"nelements":3,"elements":["Pm","Gd","In"],"chemical_system":"Gd-In-Pm","density":7.830995591912149,"density_atomic":0.035465763537097614,"volume":112.78482686030296,"volume_molar":16.98015257362433,"formula_full":"Pm1 Gd1 In2","formula_reduced":"PmGdIn2","formula_anonymous":"ABC2","energy":-26.24910017,"energy_per_atom":-6.5622750425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.24910017,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.1801804,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.882000Z","spacegroup":225},{"id":"mp-1198520","created_at":"2022-09-04T14:39:10.340650Z","structure_string":"Cu8 S2 O24\n1.0\n0.000000 -5.194531 0.000000\n-5.870321 0.000000 0.344538\n-0.017848 0.000000 -14.122900\nCu S O\n8 2 24\ndirect\n0.326293 0.004827 0.251901 Cu\n0.673707 0.004827 0.751901 Cu\n0.321371 0.505486 0.246268 Cu\n0.678629 0.505486 0.746268 Cu\n0.820990 0.257705 0.245327 Cu\n0.179010 0.257705 0.745327 Cu\n0.179637 0.751814 0.748185 Cu\n0.820363 0.751814 0.248185 Cu\n0.029467 0.065255 0.466964 S\n0.970533 0.065255 0.966964 S\n0.009662 0.022751 0.357787 O\n0.990338 0.022751 0.857787 O\n0.950651 0.848149 0.509139 O\n0.049349 0.848149 0.009139 O\n0.306528 0.109462 0.489196 O\n0.693472 0.109462 0.989196 O\n0.869705 0.260473 0.494594 O\n0.130295 0.260473 0.994594 O\n0.499445 0.759604 0.310217 O\n0.500555 0.759604 0.810217 O\n0.149047 0.755352 0.192877 O\n0.850953 0.755352 0.692877 O\n0.704457 0.994714 0.183579 O\n0.295543 0.994714 0.683579 O\n0.497048 0.269891 0.304956 O\n0.502952 0.269891 0.804956 O\n0.146929 0.233879 0.191047 O\n0.853071 0.233879 0.691047 O\n0.949798 0.511731 0.311872 O\n0.050202 0.511731 0.811872 O\n0.629095 0.512729 0.160501 O\n0.370905 0.512729 0.660501 O\n0.459321 0.784780 0.006290 O\n0.540679 0.784780 0.506290 O\n","nsites":34,"nelements":3,"elements":["Cu","S","O"],"chemical_system":"Cu-O-S","density":3.6877573537779966,"density_atomic":0.07894318229282032,"volume":430.6895036722153,"volume_molar":7.628449455790053,"formula_full":"Cu8 S2 O24","formula_reduced":"Cu4SO12","formula_anonymous":"AB4C12","energy":-181.74600825,"energy_per_atom":-5.345470830882353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.25800825,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.1572386,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.786000Z","spacegroup":7},{"id":"mp-759834","created_at":"2022-09-04T14:39:10.342545Z","structure_string":"Li10 V6 P16 O58\n1.0\n9.787663 0.000000 0.000000\n4.861149 8.533888 0.000000\n0.135013 0.054948 14.071254\nLi V P O\n10 6 16 58\ndirect\n0.691284 0.083450 0.441077 Li\n0.228372 0.678384 0.438816 Li\n0.095317 0.678142 0.942962 Li\n0.225283 0.089597 0.940264 Li\n0.092164 0.228052 0.440117 Li\n0.777644 0.917147 0.061041 Li\n0.917699 0.304329 0.057793 Li\n0.661830 0.663482 0.888242 Li\n0.768058 0.321905 0.562223 Li\n0.318229 0.908145 0.558099 Li\n0.999720 0.572606 0.743630 V\n0.000321 0.435767 0.250508 V\n0.567386 0.002235 0.250988 V\n0.432148 0.999369 0.747652 V\n0.564261 0.430248 0.756723 V\n0.436851 0.566970 0.244714 V\n0.683991 0.231075 0.160896 P\n0.684127 0.086979 0.659032 P\n0.237402 0.679777 0.656587 P\n0.323186 0.336195 0.871553 P\n0.332590 0.334596 0.370127 P\n0.089291 0.682371 0.157468 P\n0.913829 0.769912 0.340745 P\n0.230801 0.092362 0.158312 P\n0.770362 0.906581 0.841392 P\n0.086146 0.232960 0.658984 P\n0.909766 0.322396 0.842043 P\n0.666506 0.662588 0.628687 P\n0.672308 0.666284 0.127890 P\n0.765471 0.321311 0.343237 P\n0.318265 0.912197 0.339441 P\n0.316615 0.771145 0.839866 P\n0.760654 0.242643 0.434503 O\n0.665332 0.251818 0.663788 O\n0.766860 0.983972 0.931880 O\n0.666241 0.081319 0.163332 O\n0.520478 0.376053 0.176159 O\n0.471930 0.340105 0.828081 O\n0.383599 0.520999 0.672851 O\n0.227577 0.763472 0.922991 O\n0.253699 0.659895 0.160659 O\n0.486156 0.186372 0.333047 O\n0.522425 0.095373 0.681485 O\n0.329933 0.485765 0.330962 O\n0.311301 0.352587 0.976624 O\n0.319260 0.332642 0.475878 O\n0.177051 0.485590 0.824943 O\n0.377594 0.105316 0.177264 O\n0.326212 0.185944 0.834247 O\n0.087291 0.661968 0.664895 O\n0.991042 0.794255 0.244180 O\n0.010502 0.755777 0.424408 O\n0.999993 0.750686 0.067452 O\n0.096457 0.521502 0.179340 O\n0.182267 0.330834 0.327015 O\n0.922021 0.740029 0.835510 O\n0.096837 0.383114 0.677078 O\n0.250374 0.084821 0.658300 O\n0.789731 0.996115 0.750378 O\n0.752455 0.005760 0.568150 O\n0.243449 0.002526 0.429188 O\n0.747647 0.914909 0.341883 O\n0.903139 0.617966 0.322220 O\n0.079376 0.259076 0.166206 O\n0.815628 0.663695 0.674742 O\n0.894486 0.486466 0.823930 O\n0.003942 0.245494 0.929179 O\n0.997233 0.246489 0.569693 O\n0.998498 0.213645 0.750488 O\n0.915651 0.339010 0.339494 O\n0.675190 0.813922 0.163337 O\n0.627569 0.881861 0.824238 O\n0.820467 0.513828 0.170505 O\n0.681970 0.653525 0.021470 O\n0.677045 0.656353 0.523187 O\n0.668921 0.513128 0.671945 O\n0.480109 0.901955 0.320835 O\n0.513931 0.813279 0.665144 O\n0.745019 0.343145 0.842555 O\n0.787009 0.207340 0.256379 O\n0.772264 0.235811 0.076132 O\n0.617661 0.479759 0.326830 O\n0.524083 0.664951 0.170393 O\n0.485384 0.628579 0.827715 O\n0.335572 0.920378 0.838735 O\n0.228027 0.018862 0.067251 O\n0.209786 0.001224 0.249183 O\n0.335004 0.748812 0.339772 O\n0.240233 0.758538 0.565600 O\n0.218755 0.793553 0.743196 O\n","nsites":90,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5411248192053653,"density_atomic":0.07657442782306621,"volume":1175.3270975521368,"volume_molar":7.8644280227791326,"formula_full":"Li10 V6 P16 O58","formula_reduced":"Li5V3P8O29","formula_anonymous":"A3B5C8D29","energy":-682.75329618,"energy_per_atom":-7.586147735333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-632.70729618,"band_gap":1.2467,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.00396,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.306000Z","spacegroup":1},{"id":"mp-1183637","created_at":"2022-09-04T14:39:08.049860Z","structure_string":"Ca1 Eu1 Mg2\n1.0\n0.000000 4.135779 4.135779\n4.135779 0.000000 4.135779\n4.135779 4.135779 0.000000\nCa Eu Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n","nsites":4,"nelements":3,"elements":["Ca","Eu","Mg"],"chemical_system":"Ca-Eu-Mg","density":2.8244676574999086,"density_atomic":0.02827209715507868,"volume":141.4822529103207,"volume_molar":21.300651051696775,"formula_full":"Ca1 Eu1 Mg2","formula_reduced":"CaEuMg2","formula_anonymous":"ABC2","energy":-15.70203779,"energy_per_atom":-3.9255094475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.70203779,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.469881,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.870000Z","spacegroup":225},{"id":"mp-1214218","created_at":"2022-09-04T14:39:07.027635Z","structure_string":"Ca10 As6 O28\n1.0\n4.968344 -8.605424 0.000000\n4.968344 8.605424 0.000000\n0.000000 0.000000 7.014305\nCa As O\n10 6 28\ndirect\n0.666667 0.333333 0.998385 Ca\n0.333333 0.666667 0.001615 Ca\n0.333333 0.666667 0.498385 Ca\n0.666667 0.333333 0.501615 Ca\n0.750823 0.992992 0.750000 Ca\n0.249177 0.007008 0.250000 Ca\n0.242168 0.249177 0.750000 Ca\n0.757832 0.750823 0.250000 Ca\n0.007008 0.757832 0.750000 Ca\n0.992992 0.242168 0.250000 Ca\n0.600738 0.627792 0.750000 As\n0.399262 0.372208 0.250000 As\n0.027054 0.399262 0.750000 As\n0.972946 0.600738 0.250000 As\n0.372208 0.972946 0.750000 As\n0.627792 0.027054 0.250000 As\n0.658136 0.750139 0.943931 O\n0.341864 0.249861 0.056069 O\n0.092003 0.341864 0.943931 O\n0.341864 0.249861 0.443931 O\n0.907997 0.658136 0.056069 O\n0.658136 0.750139 0.556069 O\n0.249861 0.907997 0.943931 O\n0.907997 0.658136 0.443931 O\n0.750139 0.092003 0.056069 O\n0.092003 0.341864 0.556069 O\n0.750139 0.092003 0.443931 O\n0.249861 0.907997 0.556069 O\n0.399499 0.528837 0.750000 O\n0.600501 0.471163 0.250000 O\n0.129338 0.600501 0.750000 O\n0.870662 0.399499 0.250000 O\n0.471163 0.870662 0.750000 O\n0.528837 0.129338 0.250000 O\n0.000000 0.000000 0.904858 O\n0.000000 0.000000 0.095142 O\n0.000000 0.000000 0.404858 O\n0.000000 0.000000 0.595142 O\n0.829395 0.323133 0.750000 O\n0.170605 0.676867 0.250000 O\n0.493738 0.170605 0.750000 O\n0.506262 0.829395 0.250000 O\n0.676867 0.506262 0.750000 O\n0.323133 0.493738 0.250000 O\n","nsites":44,"nelements":3,"elements":["Ca","As","O"],"chemical_system":"As-Ca-O","density":3.5943732438216442,"density_atomic":0.07335911833856672,"volume":599.7891059286096,"volume_molar":8.209123686855994,"formula_full":"Ca10 As6 O28","formula_reduced":"Ca5As3O14","formula_anonymous":"A3B5C14","energy":-286.23212836,"energy_per_atom":-6.5052756445454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-281.72412836,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0040882,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.897000Z","spacegroup":176},{"id":"mp-1174172","created_at":"2022-09-04T14:39:15.165520Z","structure_string":"Li5 Mn1 Co2 O8\n1.0\n1.469703 4.892944 0.000000\n-1.469703 4.892944 0.000000\n0.000000 2.097271 9.794207\nLi Mn Co O\n5 1 2 8\ndirect\n0.750170 0.750170 0.865055 Li\n0.242714 0.242714 0.629896 Li\n0.746775 0.746775 0.377164 Li\n0.254390 0.254390 0.127280 Li\n0.507591 0.507591 0.749632 Li\n0.004382 0.004382 0.991620 Mn\n0.997621 0.997621 0.511417 Co\n0.494887 0.494887 0.255118 Co\n0.123060 0.123060 0.824660 O\n0.613085 0.613085 0.555656 O\n0.108553 0.108553 0.321875 O\n0.610460 0.610460 0.061848 O\n0.392064 0.392064 0.945523 O\n0.883144 0.883144 0.667245 O\n0.384459 0.384459 0.434093 O\n0.886647 0.886647 0.181920 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.955018521223304,"density_atomic":0.11358497387766779,"volume":140.86370277491253,"volume_molar":5.301881538033286,"formula_full":"Li5 Mn1 Co2 O8","formula_reduced":"Li5Mn(CoO4)2","formula_anonymous":"AB2C5D8","energy":-101.96353803,"energy_per_atom":-6.372721126875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.52353803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000019,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.273000Z","spacegroup":8},{"id":"mp-1210362","created_at":"2022-09-04T14:39:10.352877Z","structure_string":"P8 O32\n1.0\n7.625566 0.000000 0.000000\n0.000000 10.101028 0.000000\n0.000000 0.000000 11.122544\nP O\n8 32\ndirect\n0.524901 0.170860 0.737742 P\n0.475099 0.829140 0.262258 P\n0.975099 0.170860 0.762258 P\n0.475099 0.329140 0.237742 P\n0.024901 0.829140 0.237742 P\n0.524901 0.670860 0.762258 P\n0.024901 0.329140 0.262258 P\n0.975099 0.670860 0.737742 P\n0.512039 0.044345 0.806893 O\n0.487961 0.955655 0.193107 O\n0.987961 0.044345 0.693107 O\n0.487961 0.455655 0.306893 O\n0.012039 0.955655 0.306893 O\n0.512039 0.544345 0.693107 O\n0.012039 0.455655 0.193107 O\n0.987961 0.544345 0.806893 O\n0.517058 0.297847 0.806337 O\n0.482942 0.702153 0.193663 O\n0.982942 0.297847 0.693663 O\n0.482942 0.202153 0.306337 O\n0.017058 0.702153 0.306337 O\n0.517058 0.797847 0.693663 O\n0.017058 0.202153 0.193663 O\n0.982942 0.797847 0.806337 O\n0.549113 0.170044 0.604557 O\n0.450887 0.829956 0.395443 O\n0.950887 0.170044 0.895443 O\n0.450887 0.329956 0.104557 O\n0.049113 0.829956 0.104557 O\n0.549113 0.670044 0.895443 O\n0.049113 0.329956 0.395443 O\n0.950887 0.670044 0.604557 O\n0.753749 0.407600 0.020979 O\n0.246251 0.592400 0.979021 O\n0.746251 0.407600 0.479021 O\n0.246251 0.092400 0.520979 O\n0.253749 0.592400 0.520979 O\n0.753749 0.907600 0.479021 O\n0.253749 0.092400 0.979021 O\n0.746251 0.907600 0.020979 O\n","nsites":40,"nelements":2,"elements":["P","O"],"chemical_system":"O-P","density":1.472617506505421,"density_atomic":0.04668938997042371,"volume":856.7256934678043,"volume_molar":12.898306796929324,"formula_full":"P8 O32","formula_reduced":"PO4","formula_anonymous":"AB4","energy":-236.94657985,"energy_per_atom":-5.92366449625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.96257985,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9907261,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.763000Z","spacegroup":56},{"id":"mp-757297","created_at":"2022-09-04T14:39:10.356315Z","structure_string":"Co4 H8 Se4 O16\n1.0\n0.000592 4.858436 0.000432\n-2.639237 0.000316 13.656505\n5.732450 0.000520 0.022185\nCo H Se O\n4 8 4 16\ndirect\n0.319232 0.733465 0.493991 Co\n0.680769 0.266535 0.506008 Co\n0.819224 0.766503 0.006040 Co\n0.180776 0.233497 0.993960 Co\n0.267140 0.867916 0.157267 H\n0.767322 0.632113 0.342708 H\n0.232679 0.367886 0.657290 H\n0.732860 0.132084 0.842734 H\n0.812340 0.116568 0.099657 H\n0.312251 0.383412 0.400348 H\n0.687750 0.616588 0.599651 H\n0.187662 0.883431 0.900342 H\n0.764522 0.393188 0.061898 Se\n0.735396 0.893163 0.561977 Se\n0.264603 0.106838 0.438025 Se\n0.235478 0.606812 0.938102 Se\n0.110557 0.882225 0.058984 O\n0.610722 0.617790 0.441022 O\n0.389279 0.382208 0.558981 O\n0.889443 0.117774 0.941015 O\n0.088515 0.678042 0.197593 O\n0.588472 0.821946 0.302415 O\n0.411527 0.178055 0.697588 O\n0.911485 0.321958 0.802407 O\n0.425414 0.364225 0.057779 O\n0.074535 0.864193 0.557739 O\n0.925462 0.135808 0.442260 O\n0.574587 0.635775 0.942221 O\n0.910396 0.322158 0.253936 O\n0.410455 0.177871 0.246032 O\n0.589544 0.822129 0.753968 O\n0.089605 0.677842 0.746063 O\n","nsites":32,"nelements":4,"elements":["Co","H","Se","O"],"chemical_system":"Co-H-O-Se","density":3.558275007106067,"density_atomic":0.08407153110799513,"volume":380.628252849279,"volume_molar":7.163115362160092,"formula_full":"Co4 H8 Se4 O16","formula_reduced":"CoH2SeO4","formula_anonymous":"ABC2D4","energy":-190.02292125,"energy_per_atom":-5.9382162890625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.47892125,"band_gap":1.8418,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.525000Z","spacegroup":14},{"id":"mp-1223011","created_at":"2022-09-04T14:39:10.367637Z","structure_string":"Mn1 Ag2 Sn3 S8\n1.0\n-3.785083 2.769880 -5.833365\n3.828295 -4.722021 -7.189819\n-3.796238 -4.725092 -7.157717\nMn Ag Sn S\n1 2 3 8\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.567609 0.318048 0.750450 Sn\n0.432391 0.681952 0.249550 Sn\n0.000000 0.000000 0.000000 Sn\n0.452038 0.192025 0.211035 S\n0.820573 0.596412 0.243016 S\n0.546458 0.334124 0.269472 S\n0.184350 0.941154 0.219223 S\n0.547962 0.807975 0.788965 S\n0.179427 0.403588 0.756984 S\n0.453542 0.665876 0.730528 S\n0.815650 0.058846 0.780777 S\n","nsites":14,"nelements":4,"elements":["Mn","Ag","Sn","S"],"chemical_system":"Ag-Mn-S-Sn","density":4.049151496115164,"density_atomic":0.03864761649071724,"volume":362.2474364845412,"volume_molar":15.58217894613619,"formula_full":"Mn1 Ag2 Sn3 S8","formula_reduced":"MnAg2Sn3S8","formula_anonymous":"AB2C3D8","energy":-65.13827775,"energy_per_atom":-4.652734125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.11427775000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1335458,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.978000Z","spacegroup":12},{"id":"mp-753770","created_at":"2022-09-04T14:39:08.149686Z","structure_string":"Li4 Fe2 P2 C2 O14\n1.0\n5.063027 0.000000 0.000000\n-0.470397 6.325674 0.000000\n-0.452052 -0.938807 8.442402\nLi Fe P C O\n4 2 2 2 14\ndirect\n0.249611 0.965603 0.270253 Li\n0.357141 0.483192 0.283991 Li\n0.642859 0.516808 0.716009 Li\n0.750389 0.034397 0.729747 Li\n0.190059 0.748163 0.849864 Fe\n0.809941 0.251837 0.150136 Fe\n0.288479 0.257537 0.922415 P\n0.711521 0.742463 0.077585 P\n0.256900 0.751662 0.559611 C\n0.743100 0.248338 0.440389 C\n0.025610 0.719601 0.616245 O\n0.174928 0.326194 0.085755 O\n0.116512 0.059184 0.842320 O\n0.285559 0.441481 0.817362 O\n0.296997 0.748940 0.413671 O\n0.418527 0.800040 0.052603 O\n0.543472 0.214408 0.329110 O\n0.456528 0.785592 0.670890 O\n0.581473 0.199960 0.947397 O\n0.703003 0.251060 0.586329 O\n0.714441 0.558519 0.182638 O\n0.825072 0.673806 0.914245 O\n0.974390 0.280399 0.383755 O\n0.883488 0.940816 0.157680 O\n","nsites":24,"nelements":5,"elements":["Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-O-P","density":2.7600256831872807,"density_atomic":0.08876222169150683,"volume":270.3853006678001,"volume_molar":6.784576416901726,"formula_full":"Li4 Fe2 P2 C2 O14","formula_reduced":"Li2FePCO7","formula_anonymous":"ABCD2E7","energy":-178.21938942,"energy_per_atom":-7.4258078925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.08938942,"band_gap":1.911,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0015622,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.112000Z","spacegroup":2},{"id":"mp-1190701","created_at":"2022-09-04T14:39:08.177905Z","structure_string":"Ce2 Fe17 H3\n1.0\n4.787642 -4.301873 0.000000\n4.787642 4.301873 0.000000\n0.922249 0.000000 6.370014\nCe Fe H\n2 17 3\ndirect\n0.658875 0.658875 0.658875 Ce\n0.341125 0.341125 0.341125 Ce\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.716622 0.283378 0.000000 Fe\n0.000000 0.716622 0.283378 Fe\n0.283378 0.000000 0.716622 Fe\n0.000000 0.283378 0.716622 Fe\n0.716622 0.000000 0.283378 Fe\n0.283378 0.716622 0.000000 Fe\n0.343422 0.343422 0.846941 Fe\n0.846941 0.343422 0.343422 Fe\n0.343422 0.846941 0.343422 Fe\n0.656578 0.656578 0.153059 Fe\n0.153059 0.656578 0.656578 Fe\n0.656578 0.153059 0.656578 Fe\n0.904139 0.904139 0.904139 Fe\n0.095861 0.095861 0.095861 Fe\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n","nsites":22,"nelements":3,"elements":["Ce","Fe","H"],"chemical_system":"Ce-Fe-H","density":7.800617102224292,"density_atomic":0.0838442038367667,"volume":262.39142353633673,"volume_molar":7.182536757966349,"formula_full":"Ce2 Fe17 H3","formula_reduced":"Ce2Fe17H3","formula_anonymous":"A2B3C17","energy":-167.60574730000002,"energy_per_atom":-7.61844305909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.0687473,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":35.5972848,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.262000Z","spacegroup":166},{"id":"mp-771391","created_at":"2022-09-04T14:39:17.430329Z","structure_string":"Mn5 Sb3 O16\n1.0\n6.126158 0.045062 0.056353\n-3.024058 5.238312 0.000373\n0.086037 0.050392 9.106460\nMn Sb O\n5 3 16\ndirect\n0.343513 0.671767 0.494763 Mn\n0.660401 0.830228 0.211915 Mn\n0.683101 0.341470 0.984952 Mn\n0.832135 0.666774 0.708776 Mn\n0.832110 0.165366 0.708784 Mn\n0.159531 0.826324 0.209747 Sb\n0.159571 0.333261 0.209759 Sb\n0.336517 0.168243 0.710549 Sb\n0.173356 0.834049 0.605324 O\n0.028106 0.514054 0.339876 O\n0.309378 0.654718 0.086631 O\n0.014915 0.007477 0.324473 O\n0.994450 0.997221 0.813112 O\n0.173370 0.339369 0.605354 O\n0.466988 0.946873 0.337431 O\n0.466999 0.520137 0.337442 O\n0.337279 0.168657 0.098344 O\n0.678913 0.839477 0.607822 O\n0.529520 0.480741 0.839653 O\n0.529488 0.048665 0.839575 O\n0.672644 0.336344 0.599373 O\n0.835698 0.672133 0.103490 O\n0.946301 0.473141 0.835111 O\n0.835716 0.163713 0.103463 O\n","nsites":24,"nelements":3,"elements":["Mn","Sb","O"],"chemical_system":"Mn-O-Sb","density":5.070129609702089,"density_atomic":0.08178850723478097,"volume":293.4397608102313,"volume_molar":7.363064767416436,"formula_full":"Mn5 Sb3 O16","formula_reduced":"Mn5Sb3O16","formula_anonymous":"A3B5C16","energy":-180.67453107,"energy_per_atom":-7.52810546125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.34253107,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0006221,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.780000Z","spacegroup":8}]}