{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12190","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12188","results":[{"id":"mp-753275","created_at":"2022-09-04T14:40:21.451438Z","structure_string":"Li3 Fe1 Ni3 O8\n1.0\n2.889379 5.056274 0.000000\n-2.889379 5.056274 0.000000\n0.000000 3.270224 4.851896\nLi Fe Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.232584 0.763848 0.778469 O\n0.738193 0.738193 0.777049 O\n0.223796 0.223796 0.795883 O\n0.763848 0.232584 0.778469 O\n0.236152 0.767416 0.221531 O\n0.776204 0.776204 0.204117 O\n0.261807 0.261807 0.222951 O\n0.767416 0.236152 0.221531 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.459692245839285,"density_atomic":0.10580706504698126,"volume":141.7674707576435,"volume_molar":5.691624427278088,"formula_full":"Li3 Fe1 Ni3 O8","formula_reduced":"Li3FeNi3O8","formula_anonymous":"AB3C3D8","energy":-93.14292188,"energy_per_atom":-6.209528125333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.76792188,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9996959,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.366000Z","spacegroup":12},{"id":"mp-672295","created_at":"2022-09-04T14:40:21.117717Z","structure_string":"Cu8 Bi10 Pb2 S22\n1.0\n1.976736 8.856248 0.000000\n-1.976736 8.856248 0.000000\n0.000000 1.042576 27.174047\nCu Bi Pb S\n8 10 2 22\ndirect\n0.370998 0.370998 0.422131 Cu\n0.304636 0.304636 0.787504 Cu\n0.695364 0.695364 0.212496 Cu\n0.798432 0.798432 0.026201 Cu\n0.491117 0.491117 0.766644 Cu\n0.508883 0.508883 0.233356 Cu\n0.201568 0.201568 0.973799 Cu\n0.629002 0.629002 0.577869 Cu\n0.315295 0.315295 0.552249 Bi\n0.940788 0.940788 0.655447 Bi\n0.171070 0.171070 0.705298 Bi\n0.372406 0.372406 0.150396 Bi\n0.828930 0.828930 0.294702 Bi\n0.627594 0.627594 0.849604 Bi\n0.128253 0.128253 0.100100 Bi\n0.059212 0.059212 0.344553 Bi\n0.684705 0.684705 0.447751 Bi\n0.871747 0.871747 0.899900 Bi\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.845907 0.845907 0.466100 S\n0.988143 0.988143 0.076990 S\n0.938869 0.938869 0.227435 S\n0.264320 0.264320 0.222187 S\n0.596120 0.596120 0.658183 S\n0.537686 0.537686 0.425589 S\n0.403880 0.403880 0.341817 S\n0.735680 0.735680 0.777813 S\n0.790194 0.790194 0.110156 S\n0.011857 0.011857 0.923010 S\n0.661677 0.661677 0.011508 S\n0.593302 0.593302 0.163798 S\n0.209806 0.209806 0.889844 S\n0.406698 0.406698 0.836202 S\n0.610078 0.610078 0.285089 S\n0.061131 0.061131 0.772565 S\n0.338323 0.338323 0.988492 S\n0.798541 0.798541 0.620932 S\n0.462314 0.462314 0.574411 S\n0.201459 0.201459 0.379068 S\n0.389922 0.389922 0.714911 S\n0.154093 0.154093 0.533900 S\n","nsites":42,"nelements":4,"elements":["Cu","Bi","Pb","S"],"chemical_system":"Bi-Cu-Pb-S","density":6.4889728561759314,"density_atomic":0.044143476349152895,"volume":951.4429644779431,"volume_molar":13.642198707613936,"formula_full":"Cu8 Bi10 Pb2 S22","formula_reduced":"Cu4Bi5PbS11","formula_anonymous":"AB4C5D11","energy":-193.00405488,"energy_per_atom":-4.59533464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.93805488,"band_gap":0.2975999999999992,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002905,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.322000Z","spacegroup":12},{"id":"mp-568508","created_at":"2022-09-04T14:40:21.152360Z","structure_string":"Cs8 Rb8 Mn16 Cl48\n1.0\n7.333763 -12.702450 0.000000\n7.333763 12.702450 0.000000\n0.000000 0.000000 12.110848\nCs Rb Mn Cl\n8 8 16 48\ndirect\n0.500000 0.000000 0.000000 Cs\n0.666667 0.333333 0.750000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.500000 Cs\n0.333333 0.666667 0.250000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.500000 0.500000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.166300 0.332601 0.750000 Rb\n0.833700 0.166300 0.250000 Rb\n0.166300 0.833700 0.750000 Rb\n0.667399 0.833700 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.332601 0.166300 0.250000 Rb\n0.833700 0.667399 0.250000 Rb\n0.834046 0.668092 0.882816 Mn\n0.668092 0.834046 0.382816 Mn\n0.834046 0.668092 0.617184 Mn\n0.668092 0.834046 0.117184 Mn\n0.165954 0.331908 0.117184 Mn\n0.165954 0.331908 0.382816 Mn\n0.165954 0.834046 0.382816 Mn\n0.666667 0.333333 0.117297 Mn\n0.331908 0.165954 0.617184 Mn\n0.165954 0.834046 0.117184 Mn\n0.834046 0.165954 0.617184 Mn\n0.834046 0.165954 0.882816 Mn\n0.331908 0.165954 0.882816 Mn\n0.333333 0.666667 0.617297 Mn\n0.666667 0.333333 0.382703 Mn\n0.333333 0.666667 0.882703 Mn\n0.411170 0.822340 0.750000 Cl\n0.000000 0.752529 0.000000 Cl\n0.678276 0.087089 0.750000 Cl\n0.000000 0.247471 0.500000 Cl\n0.247471 0.000000 0.500000 Cl\n0.249285 0.750715 0.501552 Cl\n0.501430 0.750715 0.501552 Cl\n0.176005 0.088003 0.750000 Cl\n0.591187 0.678276 0.250000 Cl\n0.249285 0.498570 0.501552 Cl\n0.591187 0.912911 0.250000 Cl\n0.678276 0.591187 0.750000 Cl\n0.588830 0.177660 0.250000 Cl\n0.000000 0.247471 0.000000 Cl\n0.321724 0.912911 0.250000 Cl\n0.247471 0.000000 0.000000 Cl\n0.822340 0.411170 0.250000 Cl\n0.501430 0.750715 0.998448 Cl\n0.588830 0.411170 0.250000 Cl\n0.408813 0.087089 0.750000 Cl\n0.087089 0.678276 0.250000 Cl\n0.750715 0.249285 0.498448 Cl\n0.911997 0.088003 0.750000 Cl\n0.408813 0.321724 0.750000 Cl\n0.247471 0.247471 0.000000 Cl\n0.752529 0.000000 0.000000 Cl\n0.088003 0.176005 0.250000 Cl\n0.498570 0.249285 0.001552 Cl\n0.752529 0.000000 0.500000 Cl\n0.247471 0.247471 0.500000 Cl\n0.823995 0.911997 0.250000 Cl\n0.321724 0.408813 0.250000 Cl\n0.752529 0.752529 0.000000 Cl\n0.088003 0.911997 0.250000 Cl\n0.750715 0.501430 0.001552 Cl\n0.912911 0.591187 0.750000 Cl\n0.498570 0.249285 0.498448 Cl\n0.249285 0.750715 0.998448 Cl\n0.000000 0.752529 0.500000 Cl\n0.177660 0.588830 0.750000 Cl\n0.911997 0.823995 0.750000 Cl\n0.087089 0.408813 0.250000 Cl\n0.912911 0.321724 0.750000 Cl\n0.750715 0.249285 0.001552 Cl\n0.750715 0.501430 0.498448 Cl\n0.411170 0.588830 0.750000 Cl\n0.752529 0.752529 0.500000 Cl\n0.249285 0.498570 0.998448 Cl\n","nsites":80,"nelements":4,"elements":["Cs","Rb","Mn","Cl"],"chemical_system":"Cl-Cs-Mn-Rb","density":3.1848663904601304,"density_atomic":0.03545447613234584,"volume":2256.414668245919,"volume_molar":16.985558431382035,"formula_full":"Cs8 Rb8 Mn16 Cl48","formula_reduced":"CsRb(MnCl3)2","formula_anonymous":"ABC2D6","energy":-397.59934161,"energy_per_atom":-4.9699917701250005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-368.1273416099999,"band_gap":1.2133000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":80.0000004,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.261000Z","spacegroup":194},{"id":"mp-1030128","created_at":"2022-09-04T14:40:21.450569Z","structure_string":"Te4 Mo1 W3 Se2 S2\n1.0\n1.697458 -2.940084 0.000000\n1.697458 2.940084 0.000000\n0.000000 0.000000 39.856692\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.329835 Te\n0.333333 0.666667 0.045908 Te\n0.333333 0.666667 0.139855 Te\n0.000000 0.000000 0.235225 Te\n0.000000 0.000000 0.092864 Mo\n0.000000 0.000000 0.469979 W\n0.333333 0.666667 0.282556 W\n0.333333 0.666667 0.657523 W\n0.333333 0.666667 0.428406 Se\n0.333333 0.666667 0.511555 Se\n0.000000 0.000000 0.695337 S\n0.000000 0.000000 0.619705 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.759832275916817,"density_atomic":0.03016415916824937,"volume":397.8231229011394,"volume_molar":19.96455703077868,"formula_full":"Te4 Mo1 W3 Se2 S2","formula_reduced":"Te4MoW3(SeS)2","formula_anonymous":"AB2C2D3E4","energy":-85.67464014000001,"energy_per_atom":-7.139553345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.03664014,"band_gap":1.6191,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.17e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.148000Z","spacegroup":156},{"id":"mp-1113046","created_at":"2022-09-04T14:40:21.667470Z","structure_string":"Cs2 K1 In1 Br6\n1.0\n0.000000 5.886266 5.886266\n5.886266 0.000000 5.886266\n5.886266 5.886266 0.000000\nCs K In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.769551 0.230449 0.230449 Br\n0.230449 0.230449 0.769551 Br\n0.230449 0.769551 0.769551 Br\n0.230449 0.769551 0.230449 Br\n0.769551 0.230449 0.769551 Br\n0.769551 0.769551 0.230449 Br\n","nsites":10,"nelements":4,"elements":["Cs","K","In","Br"],"chemical_system":"Br-Cs-In-K","density":3.6604306232751402,"density_atomic":0.024516041762535905,"volume":407.8961888244725,"volume_molar":24.564082645685126,"formula_full":"Cs2 K1 In1 Br6","formula_reduced":"Cs2KInBr6","formula_anonymous":"ABC2D6","energy":-32.98167038,"energy_per_atom":-3.298167038,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.77767038,"band_gap":2.3809,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002163,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.861000Z","spacegroup":225},{"id":"mp-1221650","created_at":"2022-09-04T14:40:21.667196Z","structure_string":"Mn1 Cd1 Te2\n1.0\n7.556672 -2.301011 0.000000\n7.556672 2.301011 0.000000\n6.856013 0.000000 3.923395\nMn Cd Te\n1 1 2\ndirect\n0.498951 0.498951 0.498951 Mn\n0.000803 0.000803 0.000803 Cd\n0.129232 0.129232 0.129232 Te\n0.621014 0.621014 0.621014 Te\n","nsites":4,"nelements":3,"elements":["Mn","Cd","Te"],"chemical_system":"Cd-Mn-Te","density":5.142625811537275,"density_atomic":0.02931694381066619,"volume":136.439869920708,"volume_molar":20.541502548464837,"formula_full":"Mn1 Cd1 Te2","formula_reduced":"MnCdTe2","formula_anonymous":"ABC2","energy":-18.27789029,"energy_per_atom":-4.5694725725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.43389029,"band_gap":0.3984000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9998532,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.546000Z","spacegroup":160},{"id":"mp-1246594","created_at":"2022-09-04T14:40:21.668291Z","structure_string":"Mn2 Ni9 N8\n1.0\n7.870298 -0.070173 -0.022367\n1.126974 3.988656 0.000000\n1.633274 -0.461473 5.594432\nMn Ni N\n2 9 8\ndirect\n0.365071 0.817465 0.791464 Mn\n0.634929 0.182535 0.208536 Mn\n0.000000 0.500000 0.500000 Ni\n0.046202 0.976899 0.717447 Ni\n0.953798 0.023101 0.282553 Ni\n0.684142 0.657929 0.466457 Ni\n0.315858 0.342071 0.533543 Ni\n0.800398 0.599800 0.987956 Ni\n0.199602 0.400200 0.012044 Ni\n0.424602 0.787699 0.190589 Ni\n0.575398 0.212301 0.809411 Ni\n0.197933 0.901034 0.069080 N\n0.802067 0.098966 0.930920 N\n0.300750 0.849625 0.524567 N\n0.699250 0.150375 0.475433 N\n0.590785 0.704608 0.826253 N\n0.409215 0.295392 0.173747 N\n0.927173 0.536413 0.235311 N\n0.072827 0.463587 0.764689 N\n","nsites":19,"nelements":3,"elements":["Mn","Ni","N"],"chemical_system":"Mn-N-Ni","density":7.0689440399618055,"density_atomic":0.10781996510559806,"volume":176.2196823324098,"volume_molar":5.585367008885562,"formula_full":"Mn2 Ni9 N8","formula_reduced":"Mn2Ni9N8","formula_anonymous":"A2B8C9","energy":-134.54299836,"energy_per_atom":-7.08121044,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.65499836,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029454,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.520000Z","spacegroup":12},{"id":"mp-1247059","created_at":"2022-09-04T14:40:21.678769Z","structure_string":"La2 Mg2 Mn2 S8\n1.0\n6.953742 -0.001306 4.016025\n2.400258 6.254939 3.871291\n0.171162 -0.056205 7.735517\nLa Mg Mn S\n2 2 2 8\ndirect\n0.499849 0.500155 0.499980 La\n0.000045 0.500019 0.499958 La\n0.872525 0.877553 0.877369 Mg\n0.127476 0.122420 0.122607 Mg\n0.499918 0.499821 0.000144 Mn\n0.500316 0.000068 0.499995 Mn\n0.705537 0.763669 0.763585 S\n0.276148 0.218445 0.729212 S\n0.276060 0.729302 0.218522 S\n0.732777 0.236242 0.236515 S\n0.723909 0.270517 0.781502 S\n0.267191 0.763735 0.763482 S\n0.294409 0.236379 0.236416 S\n0.723842 0.781670 0.270714 S\n","nsites":14,"nelements":4,"elements":["La","Mg","Mn","S"],"chemical_system":"La-Mg-Mn-S","density":3.4532158618541304,"density_atomic":0.042022715294269826,"volume":333.1531506701335,"volume_molar":14.330679771235948,"formula_full":"La2 Mg2 Mn2 S8","formula_reduced":"LaMgMnS4","formula_anonymous":"ABCD4","energy":-85.59880669,"energy_per_atom":-6.1142004778571435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.57480669,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998229,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.238000Z","spacegroup":74},{"id":"mp-758805","created_at":"2022-09-04T14:40:21.696332Z","structure_string":"Li8 V4 O8 F4\n1.0\n0.000005 2.079666 2.079746\n-4.268275 2.096240 -2.096150\n-8.513907 -8.361342 8.361814\nLi V O F\n8 4 8 4\ndirect\n0.999984 0.666667 0.166655 Li\n0.499987 0.166673 0.666647 Li\n0.499986 0.166700 0.166656 Li\n0.999989 0.666702 0.666659 Li\n0.500014 0.831024 0.336537 Li\n0.000013 0.331069 0.836509 Li\n0.999993 0.002225 0.496773 Li\n0.499987 0.502244 0.996760 Li\n0.500048 0.847089 0.831963 V\n0.500007 0.486203 0.501380 V\n0.000019 0.347209 0.332051 V\n0.999985 0.986158 0.001316 V\n0.500012 0.179538 0.411956 O\n0.000015 0.679562 0.912017 O\n0.999990 0.653766 0.421326 O\n0.499983 0.153860 0.921379 O\n0.499985 0.845509 0.079662 O\n0.000004 0.345513 0.579662 O\n0.500005 0.487789 0.253650 O\n0.999995 0.987758 0.753697 O\n0.000039 0.008017 0.251748 F\n0.500054 0.508043 0.751773 F\n0.999946 0.325347 0.081612 F\n0.499963 0.825335 0.581612 F\n","nsites":24,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.4547354886551895,"density_atomic":0.10777815796462199,"volume":222.67962686723558,"volume_molar":5.587533572411544,"formula_full":"Li8 V4 O8 F4","formula_reduced":"Li2VO2F","formula_anonymous":"ABC2D2","energy":-162.8698867,"energy_per_atom":-6.786245279166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.7258867,"band_gap":0.9741,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001284,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.429000Z","spacegroup":12},{"id":"mp-22519","created_at":"2022-09-04T14:40:37.926882Z","structure_string":"Ce1 Rh3 C1\n1.0\n4.228548 0.000000 0.000000\n0.000000 4.228548 0.000000\n0.000000 0.000000 4.228548\nCe Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n","nsites":5,"nelements":3,"elements":["Ce","Rh","C"],"chemical_system":"C-Ce-Rh","density":10.121117962886379,"density_atomic":0.06612964783046546,"volume":75.6090522789165,"volume_molar":9.106567111076679,"formula_full":"Ce1 Rh3 C1","formula_reduced":"CeRh3C","formula_anonymous":"ABC3","energy":-39.06407369,"energy_per_atom":-7.812814738,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.06407369,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7954981,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.719000Z","spacegroup":221},{"id":"mp-769349","created_at":"2022-09-04T14:40:21.135033Z","structure_string":"Ba1 Ta6 O16\n1.0\n5.201546 -7.628262 0.000000\n5.201546 7.628262 0.000000\n0.000000 0.000000 3.918029\nBa Ta O\n1 6 16\ndirect\n0.599781 0.400219 0.500000 Ba\n0.007889 0.992111 0.000000 Ta\n0.369395 0.999237 0.000000 Ta\n0.794740 0.205260 0.000000 Ta\n0.247776 0.380169 0.000000 Ta\n0.000763 0.630605 0.000000 Ta\n0.619831 0.752224 0.000000 Ta\n0.568155 0.175894 0.000000 O\n0.246552 0.148959 0.000000 O\n0.017538 0.227543 0.000000 O\n0.824106 0.431845 0.000000 O\n0.477248 0.522752 0.000000 O\n0.162863 0.538265 0.000000 O\n0.851041 0.753448 0.000000 O\n0.461735 0.837137 0.000000 O\n0.143173 0.856827 0.000000 O\n0.772457 0.982462 0.000000 O\n0.274889 0.369075 0.500000 O\n0.371854 0.002921 0.500000 O\n0.003522 0.996478 0.500000 O\n0.786688 0.213312 0.500000 O\n0.997079 0.628146 0.500000 O\n0.630925 0.725111 0.500000 O\n","nsites":23,"nelements":3,"elements":["Ba","Ta","O"],"chemical_system":"Ba-O-Ta","density":7.898833500456835,"density_atomic":0.07397281565788147,"volume":310.92503097858565,"volume_molar":8.141018705914798,"formula_full":"Ba1 Ta6 O16","formula_reduced":"BaTa6O16","formula_anonymous":"AB6C16","energy":-229.97464094000003,"energy_per_atom":-9.998897432173914,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.98264094,"band_gap":2.1822,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017972,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.743000Z","spacegroup":38},{"id":"mp-1185679","created_at":"2022-09-04T14:40:21.136019Z","structure_string":"Mg16 Al12 In1\n1.0\n7.465939 5.279228 0.000000\n-7.465939 5.279228 0.000000\n0.000000 5.225411 7.467632\nMg Al In\n16 12 1\ndirect\n0.000103 0.000103 0.345902 Mg\n0.341395 0.341395 0.663541 Mg\n0.313413 0.313413 0.288400 Mg\n0.001119 0.001119 0.000015 Mg\n0.396989 0.680448 0.002273 Mg\n0.286001 0.599626 0.400107 Mg\n0.685891 0.003021 0.600235 Mg\n0.654606 0.003264 0.994494 Mg\n0.318596 0.712252 0.683380 Mg\n0.998104 0.400654 0.317124 Mg\n0.400654 0.998104 0.317124 Mg\n0.712252 0.318596 0.683380 Mg\n0.003264 0.654606 0.994494 Mg\n0.003021 0.685891 0.600235 Mg\n0.599626 0.286001 0.400107 Mg\n0.680448 0.396989 0.002273 Mg\n0.632880 0.632880 0.178982 Al\n0.821582 0.821582 0.817515 Al\n0.178503 0.361252 0.007129 Al\n0.000003 0.186017 0.633201 Al\n0.634900 0.822268 0.358216 Al\n0.812005 0.180519 0.186638 Al\n0.997925 0.367459 0.816656 Al\n0.367459 0.997925 0.816656 Al\n0.180519 0.812005 0.186638 Al\n0.822268 0.634900 0.358216 Al\n0.186017 0.000003 0.633201 Al\n0.361252 0.178503 0.007129 Al\n0.609577 0.609577 0.706778 In\n","nsites":29,"nelements":3,"elements":["Mg","Al","In"],"chemical_system":"Al-In-Mg","density":2.334194208977355,"density_atomic":0.04926406427391792,"volume":588.6643830024717,"volume_molar":12.224206120135985,"formula_full":"Mg16 Al12 In1","formula_reduced":"Mg16Al12In","formula_anonymous":"AB12C16","energy":-74.02602005,"energy_per_atom":-2.552621381034483,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.02602005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012953,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.645000Z","spacegroup":8}]}