{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12145","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12143","results":[{"id":"mp-1030509","created_at":"2022-09-04T14:42:23.969449Z","structure_string":"Te2 Mo2 W2 Se6\n1.0\n1.691470 -2.929712 0.000000\n1.691470 2.929712 0.000000\n0.000000 0.000000 38.472174\nTe Mo W Se\n2 2 2 6\ndirect\n0.333333 0.666667 0.420605 Te\n0.333333 0.666667 0.518732 Te\n0.000000 0.000000 0.093925 Mo\n0.333333 0.666667 0.657550 Mo\n0.000000 0.000000 0.469648 W\n0.333333 0.666667 0.281771 W\n0.000000 0.000000 0.324933 Se\n0.000000 0.000000 0.700554 Se\n0.333333 0.666667 0.050919 Se\n0.333333 0.666667 0.136943 Se\n0.000000 0.000000 0.238650 Se\n0.000000 0.000000 0.614519 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":5.611439798294266,"density_atomic":0.03147134418707247,"volume":381.2992520646531,"volume_molar":19.135314730133846,"formula_full":"Te2 Mo2 W2 Se6","formula_reduced":"TeMoWSe3","formula_anonymous":"ABCD3","energy":-83.3814115,"energy_per_atom":-6.948450958333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.5494115,"band_gap":0.5296000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.117000Z","spacegroup":156},{"id":"mp-1176308","created_at":"2022-09-04T14:42:23.970706Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n1.456910 9.696338 0.000000\n-1.456910 9.696338 0.000000\n0.000000 0.910411 10.086829\nLi Mn Co O\n9 2 5 16\ndirect\n0.377634 0.377634 0.682132 Li\n0.121489 0.121489 0.554974 Li\n0.878511 0.878511 0.445026 Li\n0.622366 0.622366 0.317868 Li\n0.375168 0.375168 0.187743 Li\n0.125595 0.125595 0.060304 Li\n0.874405 0.874405 0.939696 Li\n0.624832 0.624832 0.812257 Li\n0.500000 0.500000 0.500000 Li\n0.998955 0.998955 0.746098 Mn\n0.001045 0.001045 0.253902 Mn\n0.749752 0.749752 0.625186 Co\n0.250248 0.250248 0.374814 Co\n0.750117 0.750117 0.125030 Co\n0.500000 0.500000 0.000000 Co\n0.249883 0.249883 0.874970 Co\n0.446916 0.446916 0.845826 O\n0.191850 0.191850 0.714161 O\n0.941660 0.941660 0.611870 O\n0.691928 0.691928 0.464798 O\n0.444339 0.444339 0.329758 O\n0.193170 0.193170 0.212718 O\n0.947122 0.947122 0.089336 O\n0.691178 0.691178 0.965238 O\n0.308072 0.308072 0.535202 O\n0.058340 0.058340 0.388130 O\n0.808150 0.808150 0.285839 O\n0.553084 0.553084 0.154174 O\n0.308822 0.308822 0.034762 O\n0.052878 0.052878 0.910664 O\n0.806830 0.806830 0.787282 O\n0.555661 0.555661 0.670242 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.212725393108178,"density_atomic":0.11228580427528062,"volume":284.9870489554369,"volume_molar":5.3632253862082875,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-209.54992802,"energy_per_atom":-6.548435250625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.03192802,"band_gap":1.1111999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999883,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.553000Z","spacegroup":12},{"id":"mp-4502","created_at":"2022-09-04T14:42:23.971451Z","structure_string":"Ta6 Si7 Ni16\n1.0\n0.000000 5.616261 5.616261\n5.616261 0.000000 5.616261\n5.616261 5.616261 0.000000\nTa Si Ni\n6 7 16\ndirect\n0.797160 0.202840 0.797160 Ta\n0.202841 0.202841 0.797160 Ta\n0.797160 0.797160 0.202841 Ta\n0.797160 0.202840 0.202840 Ta\n0.202840 0.797160 0.797160 Ta\n0.202840 0.797160 0.202841 Ta\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.501500 0.832833 0.832833 Ni\n0.832833 0.501500 0.832833 Ni\n0.832833 0.832833 0.501500 Ni\n0.167167 0.498500 0.167167 Ni\n0.167167 0.167167 0.498500 Ni\n0.498500 0.167167 0.167167 Ni\n0.832833 0.832833 0.832833 Ni\n0.383327 0.383327 0.383327 Ni\n0.149981 0.616673 0.616673 Ni\n0.616673 0.149981 0.616673 Ni\n0.616673 0.616673 0.149981 Ni\n0.383327 0.850019 0.383327 Ni\n0.383327 0.383327 0.850019 Ni\n0.850019 0.383327 0.383327 Ni\n0.616673 0.616673 0.616673 Ni\n0.167167 0.167167 0.167167 Ni\n","nsites":29,"nelements":3,"elements":["Ta","Si","Ni"],"chemical_system":"Ni-Si-Ta","density":10.411184618853541,"density_atomic":0.08185140820729515,"volume":354.30056287553674,"volume_molar":7.357406417185215,"formula_full":"Ta6 Si7 Ni16","formula_reduced":"Ta6Si7Ni16","formula_anonymous":"A6B7C16","energy":-219.12272387,"energy_per_atom":-7.555955995517241,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.12272387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0633871,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.852000Z","spacegroup":225},{"id":"mp-1174238","created_at":"2022-09-04T14:42:23.978696Z","structure_string":"Li4 Mn3 Co1 O8\n1.0\n5.047927 -0.002593 -0.412122\n-1.122086 4.918500 -1.051656\n0.090453 -0.087179 6.162578\nLi Mn Co O\n4 3 1 8\ndirect\n0.762474 0.495760 0.121336 Li\n0.237553 0.504325 0.878618 Li\n0.742092 0.512003 0.640670 Li\n0.257909 0.488009 0.359317 Li\n0.999958 0.999864 0.500049 Mn\n0.499561 0.991573 0.247991 Mn\n0.500485 0.008390 0.752013 Mn\n0.999978 0.000056 0.000043 Co\n0.857641 0.242291 0.814044 O\n0.142375 0.757786 0.185934 O\n0.870683 0.215614 0.302151 O\n0.129372 0.784273 0.697928 O\n0.361456 0.225163 0.070303 O\n0.638581 0.774978 0.929641 O\n0.364373 0.232791 0.568067 O\n0.635510 0.767124 0.431895 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.12780404656064,"density_atomic":0.10480227365437421,"volume":152.66844355654106,"volume_molar":5.746192854422533,"formula_full":"Li4 Mn3 Co1 O8","formula_reduced":"Li4Mn3CoO8","formula_anonymous":"AB3C4D8","energy":-114.21602554,"energy_per_atom":-7.13850159625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.07802554,"band_gap":0.5396999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0156263,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.713000Z","spacegroup":2},{"id":"mp-1105818","created_at":"2022-09-04T14:42:23.983931Z","structure_string":"Nb10 Ge6 B2\n1.0\n3.889986 -6.737653 0.000000\n3.889986 6.737653 0.000000\n0.000000 0.000000 5.371848\nNb Ge B\n10 6 2\ndirect\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666667 0.500000 Nb\n0.333333 0.666667 0.000000 Nb\n0.666667 0.333333 0.000000 Nb\n0.756424 0.756424 0.250000 Nb\n0.243576 0.000000 0.250000 Nb\n0.000000 0.243576 0.250000 Nb\n0.243576 0.243576 0.750000 Nb\n0.756424 0.000000 0.750000 Nb\n0.000000 0.756424 0.750000 Nb\n0.400624 0.400624 0.250000 Ge\n0.599376 0.000000 0.250000 Ge\n0.000000 0.599376 0.250000 Ge\n0.599376 0.599376 0.750000 Ge\n0.400624 0.000000 0.750000 Ge\n0.000000 0.400624 0.750000 Ge\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n","nsites":18,"nelements":3,"elements":["Nb","Ge","B"],"chemical_system":"B-Ge-Nb","density":8.176485347384562,"density_atomic":0.06392373099864314,"volume":281.5855664054101,"volume_molar":9.420821760431705,"formula_full":"Nb10 Ge6 B2","formula_reduced":"Nb5Ge3B","formula_anonymous":"AB3C5","energy":-152.26071382,"energy_per_atom":-8.458928545555557,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.26071382,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001724,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.099000Z","spacegroup":193},{"id":"mp-1184346","created_at":"2022-09-04T14:42:24.016529Z","structure_string":"Fe2 Hg6\n1.0\n3.217163 -5.572289 0.000000\n3.217163 5.572289 0.000000\n0.000000 0.000000 4.608348\nFe Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.174438 0.348876 0.250000 Hg\n0.651124 0.825562 0.250000 Hg\n0.174438 0.825562 0.250000 Hg\n0.825562 0.651124 0.750000 Hg\n0.348876 0.174438 0.750000 Hg\n0.825562 0.174438 0.750000 Hg\n","nsites":8,"nelements":2,"elements":["Fe","Hg"],"chemical_system":"Fe-Hg","density":13.218094211623102,"density_atomic":0.04841813155043242,"volume":165.22735892167142,"volume_molar":12.43778016036684,"formula_full":"Fe2 Hg6","formula_reduced":"FeHg3","formula_anonymous":"AB3","energy":-15.11228309,"energy_per_atom":-1.88903538625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.11228309,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.7433081,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.457000Z","spacegroup":194},{"id":"mp-759855","created_at":"2022-09-04T14:42:23.987370Z","structure_string":"Li3 V3 Fe3 P6 H6 O30\n1.0\n5.305109 0.000000 0.000000\n-2.556019 6.963572 0.000000\n-0.551544 -1.787971 14.608154\nLi V Fe P H O\n3 3 3 6 6 30\ndirect\n0.078609 0.489315 0.643319 Li\n0.587488 0.177269 0.021769 Li\n0.746180 0.155058 0.311060 Li\n0.333265 0.333211 0.833058 V\n0.666521 0.666684 0.166299 V\n0.999485 0.996731 0.501623 V\n0.334703 0.339679 0.334356 Fe\n0.666939 0.673183 0.668260 Fe\n0.997166 0.991359 0.997302 Fe\n0.019867 0.375196 0.150500 P\n0.312434 0.957383 0.182007 P\n0.354717 0.710100 0.484334 P\n0.642927 0.287320 0.516366 P\n0.690697 0.046541 0.816632 P\n0.975188 0.619139 0.849408 P\n0.045129 0.983811 0.332038 H\n0.288560 0.348837 0.001830 H\n0.376214 0.317232 0.664129 H\n0.643513 0.679333 0.335962 H\n0.689358 0.653233 0.996606 H\n0.977076 0.013017 0.670618 H\n0.068258 0.826453 0.897871 O\n0.032840 0.836926 0.213957 O\n0.148972 0.806866 0.457700 O\n0.300959 0.971809 0.078878 O\n0.031326 0.360813 0.253831 O\n0.184553 0.524805 0.875703 O\n0.366537 0.696834 0.587885 O\n0.043828 0.092810 0.376501 O\n0.265037 0.506138 0.432038 O\n0.299798 0.496476 0.118955 O\n0.287524 0.239364 0.957194 O\n0.527825 0.870086 0.211020 O\n0.378932 0.427023 0.709186 O\n0.597962 0.839152 0.768354 O\n0.634743 0.832035 0.452113 O\n0.363827 0.171989 0.550848 O\n0.411379 0.160446 0.237509 O\n0.602870 0.572083 0.285749 O\n0.481577 0.141331 0.790677 O\n0.730869 0.760873 0.047003 O\n0.697363 0.502997 0.885156 O\n0.743694 0.493489 0.568149 O\n0.934093 0.905115 0.620163 O\n0.617631 0.282465 0.411727 O\n0.804759 0.463050 0.121950 O\n0.947946 0.613377 0.744526 O\n0.717376 0.052065 0.921476 O\n0.860421 0.201837 0.545224 O\n0.968886 0.162948 0.781201 O\n0.921820 0.172484 0.095208 O\n","nsites":51,"nelements":6,"elements":["Li","V","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P-V","density":3.117168493628004,"density_atomic":0.0945036224100168,"volume":539.661853158703,"volume_molar":6.372391455929726,"formula_full":"Li3 V3 Fe3 P6 H6 O30","formula_reduced":"LiVFeP2(HO5)2","formula_anonymous":"ABCD2E2F10","energy":-377.0467813,"energy_per_atom":-7.393074143137255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-344.5687813,"band_gap":1.4905,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.164000Z","spacegroup":1},{"id":"mp-3275","created_at":"2022-09-04T14:42:23.991437Z","structure_string":"Pr2 Fe2 Si4\n1.0\n2.064056 -8.530699 0.000000\n2.064056 8.530699 0.000000\n0.000000 0.000000 4.033255\nPr Fe Si\n2 2 4\ndirect\n0.107412 0.892588 0.250000 Pr\n0.892588 0.107412 0.750000 Pr\n0.250329 0.749671 0.750000 Fe\n0.749671 0.250329 0.250000 Fe\n0.310009 0.689991 0.250000 Si\n0.689991 0.310009 0.750000 Si\n0.537910 0.462090 0.750000 Si\n0.462090 0.537910 0.250000 Si\n","nsites":8,"nelements":3,"elements":["Pr","Fe","Si"],"chemical_system":"Fe-Pr-Si","density":5.913937939715359,"density_atomic":0.05632461295126481,"volume":142.0338211098236,"volume_molar":10.691845792550216,"formula_full":"Pr2 Fe2 Si4","formula_reduced":"PrFeSi2","formula_anonymous":"ABC2","energy":-53.029668,"energy_per_atom":-6.6287085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.313668,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0222445,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.549000Z","spacegroup":63},{"id":"mp-1215303","created_at":"2022-09-04T14:42:23.997901Z","structure_string":"Zr3 Mo3 W3 O24\n1.0\n6.760537 -4.978900 0.000000\n6.760537 4.978900 0.000000\n3.093751 0.000000 7.805320\nZr Mo W O\n3 3 3 24\ndirect\n0.003057 0.003057 0.003057 Zr\n0.295051 0.295051 0.295051 Zr\n0.703551 0.703551 0.703551 Zr\n0.260332 0.573171 0.861814 Mo\n0.573171 0.861814 0.260332 Mo\n0.861814 0.260332 0.573171 Mo\n0.734810 0.433623 0.138477 W\n0.433623 0.138477 0.734810 W\n0.138477 0.734810 0.433623 W\n0.813664 0.448189 0.308505 O\n0.448189 0.308505 0.813664 O\n0.308505 0.813664 0.448189 O\n0.187214 0.556299 0.689080 O\n0.556299 0.689080 0.187214 O\n0.689080 0.187214 0.556299 O\n0.530128 0.371191 0.198219 O\n0.371191 0.198219 0.530128 O\n0.198219 0.530128 0.371191 O\n0.464805 0.628992 0.804094 O\n0.628992 0.804094 0.464805 O\n0.804094 0.464805 0.628992 O\n0.787161 0.580878 0.926897 O\n0.580878 0.926897 0.787161 O\n0.926897 0.787161 0.580878 O\n0.213240 0.421604 0.067919 O\n0.421604 0.067919 0.213240 O\n0.067919 0.213240 0.421604 O\n0.878790 0.232907 0.083050 O\n0.232907 0.083050 0.878790 O\n0.083050 0.878790 0.232907 O\n0.118206 0.769110 0.915971 O\n0.769110 0.915971 0.118206 O\n0.915971 0.118206 0.769110 O\n","nsites":33,"nelements":4,"elements":["Zr","Mo","W","O"],"chemical_system":"Mo-O-W-Zr","density":4.730803346876306,"density_atomic":0.06280274605625613,"volume":525.4547304418815,"volume_molar":9.588976817360203,"formula_full":"Zr3 Mo3 W3 O24","formula_reduced":"ZrMoWO8","formula_anonymous":"ABCD8","energy":-298.45419345,"energy_per_atom":-9.044066468181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.04619345,"band_gap":2.9641,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026128,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.651000Z","spacegroup":146},{"id":"mp-1206554","created_at":"2022-09-04T14:42:24.017860Z","structure_string":"Tb4 Mg2 Ni4\n1.0\n7.284937 0.000000 0.000000\n0.000000 7.284937 0.000000\n0.000000 0.000000 3.765412\nTb Mg Ni\n4 2 4\ndirect\n0.674231 0.174231 0.500000 Tb\n0.325769 0.825769 0.500000 Tb\n0.174231 0.325769 0.500000 Tb\n0.825769 0.674231 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.119101 0.619101 0.000000 Ni\n0.880899 0.380899 0.000000 Ni\n0.619101 0.880899 0.000000 Ni\n0.380899 0.119101 0.000000 Ni\n","nsites":10,"nelements":3,"elements":["Tb","Mg","Ni"],"chemical_system":"Mg-Ni-Tb","density":7.637314459621185,"density_atomic":0.05004214269639511,"volume":199.83157117531601,"volume_molar":12.034138499097116,"formula_full":"Tb4 Mg2 Ni4","formula_reduced":"Tb2MgNi2","formula_anonymous":"AB2C2","energy":-48.56028202,"energy_per_atom":-4.856028202,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.56028202,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004991,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.397000Z","spacegroup":127},{"id":"mp-1029572","created_at":"2022-09-04T14:42:24.019979Z","structure_string":"Ca16 Ti16 N32\n1.0\n4.996940 0.000000 0.000000\n0.000000 10.065231 0.000000\n0.000000 0.000000 17.152658\nCa Ti N\n16 16 32\ndirect\n0.740753 0.996625 0.437416 Ca\n0.240753 0.503375 0.562584 Ca\n0.259247 0.496625 0.062584 Ca\n0.759247 0.003375 0.937416 Ca\n0.259247 0.003375 0.562584 Ca\n0.759247 0.496625 0.437416 Ca\n0.740753 0.503375 0.937416 Ca\n0.240753 0.996625 0.062584 Ca\n0.751655 0.252632 0.312569 Ca\n0.251655 0.247368 0.687431 Ca\n0.248345 0.752632 0.187431 Ca\n0.748345 0.747368 0.812569 Ca\n0.248345 0.747368 0.687431 Ca\n0.748345 0.752632 0.312569 Ca\n0.751655 0.247368 0.812569 Ca\n0.251655 0.252632 0.187431 Ca\n0.701437 0.022728 0.187419 Ti\n0.201437 0.477272 0.812581 Ti\n0.298563 0.522728 0.312581 Ti\n0.798563 0.977272 0.687419 Ti\n0.298563 0.977272 0.812581 Ti\n0.798563 0.522728 0.187419 Ti\n0.701437 0.477272 0.687419 Ti\n0.201437 0.022728 0.312581 Ti\n0.789272 0.272748 0.062130 Ti\n0.289272 0.227252 0.937870 Ti\n0.210728 0.772748 0.437870 Ti\n0.710728 0.727252 0.562130 Ti\n0.210728 0.727252 0.937870 Ti\n0.710728 0.772748 0.062130 Ti\n0.789272 0.227252 0.562130 Ti\n0.289272 0.272748 0.437870 Ti\n0.674899 0.498871 0.298259 N\n0.174899 0.001129 0.701741 N\n0.325101 0.998871 0.201741 N\n0.825101 0.501129 0.798259 N\n0.325101 0.501129 0.701741 N\n0.825101 0.998871 0.298259 N\n0.674899 0.001129 0.798259 N\n0.174899 0.498871 0.201741 N\n0.668298 0.255882 0.451912 N\n0.168298 0.244118 0.548088 N\n0.331702 0.755882 0.048088 N\n0.831702 0.744118 0.951912 N\n0.331702 0.744118 0.548088 N\n0.831702 0.755882 0.451912 N\n0.668298 0.244118 0.951912 N\n0.168298 0.255882 0.048088 N\n0.746259 0.459706 0.076910 N\n0.246259 0.040294 0.923090 N\n0.253741 0.959706 0.423090 N\n0.753741 0.540294 0.576910 N\n0.253741 0.540294 0.923090 N\n0.753741 0.959706 0.076910 N\n0.746259 0.040294 0.576910 N\n0.246259 0.459706 0.423090 N\n0.733416 0.210006 0.172612 N\n0.233416 0.289994 0.827388 N\n0.266584 0.710006 0.327388 N\n0.766584 0.789994 0.672612 N\n0.266584 0.789994 0.827388 N\n0.766584 0.710006 0.172612 N\n0.733416 0.289994 0.672612 N\n0.233416 0.210006 0.327388 N\n","nsites":64,"nelements":3,"elements":["Ca","Ti","N"],"chemical_system":"Ca-N-Ti","density":3.571182006126836,"density_atomic":0.07418577947921688,"volume":862.699030046986,"volume_molar":8.117648425716279,"formula_full":"Ca16 Ti16 N32","formula_reduced":"CaTiN2","formula_anonymous":"ABC2","energy":-523.5570280000001,"energy_per_atom":-8.180578562500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-512.005028,"band_gap":3.0773,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.35e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.849000Z","spacegroup":61},{"id":"mp-1185270","created_at":"2022-09-04T14:42:24.020457Z","structure_string":"Li1 Np1 Rh2\n1.0\n0.000000 3.210511 3.210511\n3.210511 0.000000 3.210511\n3.210511 3.210511 0.000000\nLi Np Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Np","Rh"],"chemical_system":"Li-Np-Rh","density":11.284172546010268,"density_atomic":0.06043764159419872,"volume":66.18391940005732,"volume_molar":9.964221966890998,"formula_full":"Li1 Np1 Rh2","formula_reduced":"LiNpRh2","formula_anonymous":"ABC2","energy":-31.0295643,"energy_per_atom":-7.757391075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.0295643,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.420943,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.380000Z","spacegroup":225}]}