{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10163","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10161","results":[{"id":"mp-2541","created_at":"2022-09-04T14:44:46.053498Z","structure_string":"Sm1 Tl1\n1.0\n3.653145 0.000000 0.000000\n0.000000 3.653145 0.000000\n0.000000 0.000000 4.318811\nSm Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tl\n","nsites":2,"nelements":2,"elements":["Sm","Tl"],"chemical_system":"Sm-Tl","density":10.220338485533215,"density_atomic":0.03470019983238361,"volume":57.63655568731107,"volume_molar":17.35477256352829,"formula_full":"Sm1 Tl1","formula_reduced":"SmTl","formula_anonymous":"AB","energy":-7.84906351,"energy_per_atom":-3.924531755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.84906351,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0083176,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.922000Z","spacegroup":123},{"id":"mp-1192913","created_at":"2022-09-04T14:44:55.259789Z","structure_string":"Gd2 Al20 Ru4\n1.0\n4.551779 -5.125639 0.000000\n4.551779 5.125639 0.000000\n0.000000 0.000000 9.147424\nGd Al Ru\n2 20 4\ndirect\n0.873559 0.126441 0.750000 Gd\n0.126441 0.873559 0.250000 Gd\n0.413665 0.141555 0.750000 Al\n0.141555 0.413665 0.250000 Al\n0.586335 0.858445 0.250000 Al\n0.858445 0.586335 0.750000 Al\n0.519002 0.780605 0.750000 Al\n0.780605 0.519002 0.250000 Al\n0.480998 0.219395 0.250000 Al\n0.219395 0.480998 0.750000 Al\n0.842277 0.157723 0.399579 Al\n0.157723 0.842277 0.600421 Al\n0.842277 0.157723 0.100421 Al\n0.157723 0.842277 0.899579 Al\n0.623202 0.376798 0.548927 Al\n0.376798 0.623202 0.451073 Al\n0.623202 0.376798 0.951073 Al\n0.376798 0.623202 0.048927 Al\n0.773938 0.773938 0.000000 Al\n0.773938 0.773938 0.500000 Al\n0.226062 0.226062 0.000000 Al\n0.226062 0.226062 0.500000 Al\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n","nsites":26,"nelements":3,"elements":["Gd","Al","Ru"],"chemical_system":"Al-Gd-Ru","density":4.895685781127786,"density_atomic":0.060913753162201614,"volume":426.8329999428372,"volume_molar":9.886340025649375,"formula_full":"Gd2 Al20 Ru4","formula_reduced":"Gd(Al5Ru)2","formula_anonymous":"AB2C10","energy":-153.74179884,"energy_per_atom":-5.9131461092307696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.74179884,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0379091,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.338000Z","spacegroup":63},{"id":"mp-1070907","created_at":"2022-09-04T14:44:46.593203Z","structure_string":"Hf2 Sb3 Pd1\n1.0\n3.947556 0.000000 0.000000\n0.000000 3.947556 0.000000\n0.000000 0.000000 8.615174\nHf Sb Pd\n2 3 1\ndirect\n0.500000 0.000000 0.739180 Hf\n0.000000 0.500000 0.260820 Hf\n0.500000 0.000000 0.382281 Sb\n0.000000 0.500000 0.617719 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["Hf","Sb","Pd"],"chemical_system":"Hf-Pd-Sb","density":10.249797900418622,"density_atomic":0.044692083124393864,"volume":134.25196546108356,"volume_molar":13.47473722188839,"formula_full":"Hf2 Sb3 Pd1","formula_reduced":"Hf2Sb3Pd","formula_anonymous":"AB2C3","energy":-41.01398718,"energy_per_atom":-6.83566453,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.43798718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021765,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.289000Z","spacegroup":115},{"id":"mp-19264","created_at":"2022-09-04T14:45:00.611220Z","structure_string":"Co6 P4 O16\n1.0\n8.457444 0.000000 0.000000\n0.000000 5.085949 0.000000\n0.000000 4.451753 7.701178\nCo P O\n6 4 16\ndirect\n0.857693 0.021109 0.389738 Co\n0.642307 0.021109 0.889738 Co\n0.000000 0.000000 0.000000 Co\n0.357693 0.978891 0.110262 Co\n0.142307 0.978891 0.610262 Co\n0.500000 0.000000 0.500000 Co\n0.191058 0.337170 0.197215 P\n0.308942 0.337170 0.697215 P\n0.808942 0.662830 0.802785 P\n0.691058 0.662830 0.302785 P\n0.577753 0.811670 0.143135 O\n0.922247 0.811670 0.643135 O\n0.362706 0.268951 0.553740 O\n0.307396 0.684756 0.625431 O\n0.862706 0.731049 0.946260 O\n0.358695 0.190778 0.252161 O\n0.641305 0.809222 0.747839 O\n0.137294 0.268951 0.053740 O\n0.692604 0.315244 0.374569 O\n0.422247 0.188330 0.856865 O\n0.077753 0.188330 0.356865 O\n0.141305 0.190778 0.752161 O\n0.637294 0.731049 0.446260 O\n0.807396 0.315244 0.874569 O\n0.192604 0.684756 0.125431 O\n0.858695 0.809222 0.247839 O\n","nsites":26,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":3.6768153053258774,"density_atomic":0.07848832386093947,"volume":331.2594628223316,"volume_molar":7.672658127684875,"formula_full":"Co6 P4 O16","formula_reduced":"Co3(PO4)2","formula_anonymous":"A2B3C8","energy":-199.68588365,"energy_per_atom":-7.680226294230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.86588365,"band_gap":2.5122,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":18.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:36:47.910000Z","spacegroup":14},{"id":"mp-1077944","created_at":"2022-09-04T14:44:54.644796Z","structure_string":"Hg1 Pd5 Se1\n1.0\n4.088917 0.000000 0.000000\n0.000000 4.088917 0.000000\n0.000000 0.000000 7.172207\nHg Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.712592 Pd\n0.000000 0.500000 0.712592 Pd\n0.500000 0.000000 0.287408 Pd\n0.000000 0.500000 0.287408 Pd\n0.000000 0.000000 0.500000 Se\n","nsites":7,"nelements":3,"elements":["Hg","Pd","Se"],"chemical_system":"Hg-Pd-Se","density":11.239538648614221,"density_atomic":0.058375234017081404,"volume":119.91386617742214,"volume_molar":10.316259731374846,"formula_full":"Hg1 Pd5 Se1","formula_reduced":"HgPd5Se","formula_anonymous":"ABC5","energy":-31.60918394,"energy_per_atom":-4.515597705714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.13718394,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.65e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:47.664000Z","spacegroup":123},{"id":"mp-24470","created_at":"2022-09-04T14:45:00.623917Z","structure_string":"Fe8 P6 H6 O30\n1.0\n3.752494 9.939183 0.000000\n-3.752494 9.939183 0.000000\n0.000000 1.632574 7.385822\nFe P H O\n8 6 6 30\ndirect\n0.179536 0.158414 0.648170 Fe\n0.841586 0.820464 0.851830 Fe\n0.820464 0.841586 0.351830 Fe\n0.158414 0.179536 0.148170 Fe\n0.648230 0.199763 0.655713 Fe\n0.800237 0.351770 0.844287 Fe\n0.351770 0.800237 0.344287 Fe\n0.199763 0.648230 0.155713 Fe\n0.886823 0.113177 0.250000 P\n0.113177 0.886823 0.750000 P\n0.467057 0.195271 0.086532 P\n0.804729 0.532943 0.413468 P\n0.532943 0.804729 0.913468 P\n0.195271 0.467057 0.586532 P\n0.491769 0.508231 0.750000 H\n0.508231 0.491769 0.250000 H\n0.411693 0.995375 0.376279 H\n0.004625 0.588307 0.123721 H\n0.588307 0.004625 0.623721 H\n0.995375 0.411693 0.876279 H\n0.228937 0.302624 0.563645 O\n0.697376 0.771063 0.936355 O\n0.771063 0.697376 0.436355 O\n0.302624 0.228937 0.063645 O\n0.053119 0.072258 0.760228 O\n0.927742 0.946881 0.739772 O\n0.946881 0.927742 0.239772 O\n0.072258 0.053119 0.260228 O\n0.377568 0.622432 0.250000 O\n0.622432 0.377568 0.750000 O\n0.291140 0.035556 0.400794 O\n0.964444 0.708860 0.099206 O\n0.708860 0.964444 0.599206 O\n0.035556 0.291140 0.900794 O\n0.747478 0.213070 0.416533 O\n0.786930 0.252522 0.083467 O\n0.252522 0.786930 0.583467 O\n0.213070 0.747478 0.916533 O\n0.389110 0.385249 0.105009 O\n0.614751 0.610890 0.394991 O\n0.610890 0.614751 0.894991 O\n0.385249 0.389110 0.605009 O\n0.946011 0.426442 0.246700 O\n0.573558 0.053989 0.253300 O\n0.053989 0.573558 0.753300 O\n0.426442 0.946011 0.746700 O\n0.103710 0.612474 0.414949 O\n0.387526 0.896290 0.085051 O\n0.896290 0.387526 0.585051 O\n0.612474 0.103710 0.914949 O\n","nsites":50,"nelements":4,"elements":["Fe","P","H","O"],"chemical_system":"Fe-H-O-P","density":3.3716065791312886,"density_atomic":0.09075498271941156,"volume":550.9339377495745,"volume_molar":6.635603445178031,"formula_full":"Fe8 P6 H6 O30","formula_reduced":"Fe4P3(HO5)3","formula_anonymous":"A3B3C4D15","energy":-373.62725213,"energy_per_atom":-7.4725450426,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.96925213,"band_gap":1.6645,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.109000Z","spacegroup":15},{"id":"mp-12837","created_at":"2022-09-04T14:44:48.015684Z","structure_string":"Er6 Fe2 Si6\n1.0\n2.065883 5.203789 0.000000\n-2.065883 5.203789 0.000000\n0.000000 4.828762 12.494267\nEr Fe Si\n6 2 6\ndirect\n0.748459 0.748459 0.770093 Er\n0.251541 0.251541 0.229907 Er\n0.523829 0.523829 0.620500 Er\n0.476171 0.476171 0.379500 Er\n0.398873 0.398873 0.919189 Er\n0.601127 0.601127 0.080811 Er\n0.753144 0.753144 0.415435 Fe\n0.246856 0.246856 0.584565 Fe\n0.143979 0.143979 0.456606 Si\n0.856021 0.856021 0.543394 Si\n0.114019 0.114019 0.924573 Si\n0.885981 0.885981 0.075427 Si\n0.054835 0.054835 0.757890 Si\n0.945165 0.945165 0.242110 Si\n","nsites":14,"nelements":3,"elements":["Er","Fe","Si"],"chemical_system":"Er-Fe-Si","density":7.935343727165367,"density_atomic":0.052114893775599455,"volume":268.63721646027597,"volume_molar":11.555508077845506,"formula_full":"Er6 Fe2 Si6","formula_reduced":"Er3FeSi3","formula_anonymous":"AB3C3","energy":-86.96736948,"energy_per_atom":-6.211954962857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.39336948,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011537,"is_theoretical":false,"updated_at":"2021-11-28T01:36:47.413000Z","spacegroup":12},{"id":"mp-558834","created_at":"2022-09-04T14:44:54.954741Z","structure_string":"Eu8 B20 Br4 O36\n1.0\n6.545083 0.000000 0.000000\n0.000000 11.496952 0.000000\n0.000000 0.000000 11.625361\nEu B Br O\n8 20 4 36\ndirect\n0.846444 0.262103 0.533116 Eu\n0.346444 0.762103 0.966884 Eu\n0.002880 0.049275 0.254962 Eu\n0.346444 0.237897 0.033116 Eu\n0.002880 0.950725 0.745038 Eu\n0.846444 0.737897 0.466884 Eu\n0.502880 0.549275 0.245038 Eu\n0.502880 0.450725 0.754962 Eu\n0.810088 0.736433 0.036013 B\n0.973495 0.503049 0.750680 B\n0.848021 0.298359 0.186759 B\n0.973495 0.496951 0.249320 B\n0.473495 0.003049 0.749320 B\n0.473495 0.996951 0.250680 B\n0.699406 0.824899 0.224760 B\n0.848021 0.701641 0.813241 B\n0.031580 0.719681 0.205450 B\n0.310088 0.763567 0.536013 B\n0.031580 0.280319 0.794550 B\n0.531580 0.780319 0.705450 B\n0.810088 0.263567 0.963987 B\n0.348021 0.201641 0.686759 B\n0.199406 0.675101 0.724760 B\n0.348021 0.798359 0.313241 B\n0.199406 0.324899 0.275240 B\n0.699406 0.175101 0.775240 B\n0.310088 0.236433 0.463987 B\n0.531580 0.219681 0.294550 B\n0.131558 0.000000 0.000000 Br\n0.869476 0.000000 0.500000 Br\n0.631558 0.500000 0.500000 Br\n0.369476 0.500000 0.000000 Br\n0.749155 0.268730 0.076288 O\n0.657934 0.047562 0.783752 O\n0.569111 0.230045 0.685954 O\n0.154189 0.731561 0.611603 O\n0.001937 0.287181 0.923100 O\n0.249155 0.768730 0.423712 O\n0.750523 0.772977 0.722778 O\n0.749155 0.731270 0.923712 O\n0.569111 0.769955 0.314046 O\n0.930079 0.613877 0.261180 O\n0.750523 0.227023 0.277222 O\n0.069111 0.269955 0.185954 O\n0.657934 0.952438 0.216248 O\n0.820067 0.573772 0.791789 O\n0.157934 0.547562 0.716248 O\n0.930079 0.386123 0.738820 O\n0.320067 0.073772 0.708211 O\n0.416424 0.682271 0.754610 O\n0.154189 0.268439 0.388397 O\n0.069111 0.730045 0.814046 O\n0.654189 0.231561 0.888397 O\n0.501937 0.787181 0.576900 O\n0.430079 0.113877 0.238820 O\n0.654189 0.768439 0.111603 O\n0.916424 0.817729 0.254610 O\n0.501937 0.212819 0.423100 O\n0.320067 0.926228 0.291789 O\n0.820067 0.426228 0.208211 O\n0.430079 0.886123 0.761180 O\n0.157934 0.452438 0.283752 O\n0.250523 0.727023 0.222778 O\n0.001937 0.712819 0.076900 O\n0.916424 0.182271 0.745390 O\n0.250523 0.272977 0.777222 O\n0.249155 0.231270 0.576288 O\n0.416424 0.317729 0.245390 O\n","nsites":68,"nelements":4,"elements":["Eu","B","Br","O"],"chemical_system":"B-Br-Eu-O","density":4.418139138556761,"density_atomic":0.07773284953166196,"volume":874.7910363468974,"volume_molar":7.747227583040136,"formula_full":"Eu8 B20 Br4 O36","formula_reduced":"Eu2B5BrO9","formula_anonymous":"AB2C5D9","energy":-604.1276929300001,"energy_per_atom":-8.884230778382355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-577.25969293,"band_gap":0.8801000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":56.0000002,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.050000Z","spacegroup":34},{"id":"mp-1196275","created_at":"2022-09-04T14:44:55.031768Z","structure_string":"Ba8 Fe8 O8 F40\n1.0\n7.414852 0.000000 0.000000\n0.000000 10.449648 0.000000\n0.000000 0.000000 13.538858\nBa Fe O F\n8 8 8 40\ndirect\n0.434462 0.872914 0.879673 Ba\n0.065538 0.627086 0.379673 Ba\n0.065538 0.372914 0.120327 Ba\n0.434462 0.127086 0.620327 Ba\n0.565538 0.127086 0.120327 Ba\n0.934462 0.372914 0.620327 Ba\n0.934462 0.627086 0.879673 Ba\n0.565538 0.872914 0.379673 Ba\n0.260624 0.759362 0.128765 Fe\n0.239376 0.740638 0.628765 Fe\n0.239376 0.259362 0.871235 Fe\n0.260624 0.240638 0.371235 Fe\n0.739376 0.240638 0.871235 Fe\n0.760624 0.259362 0.371235 Fe\n0.760624 0.740638 0.128765 Fe\n0.739376 0.759362 0.628765 Fe\n0.038584 0.908335 0.893402 O\n0.461416 0.591665 0.393402 O\n0.461416 0.408335 0.106598 O\n0.038584 0.091665 0.606598 O\n0.961416 0.091665 0.106598 O\n0.538584 0.408335 0.606598 O\n0.538584 0.591665 0.893402 O\n0.961416 0.908335 0.393402 O\n0.327258 0.900674 0.684629 F\n0.172742 0.599326 0.184629 F\n0.172742 0.400674 0.315371 F\n0.327258 0.099326 0.815371 F\n0.672742 0.099326 0.315371 F\n0.827258 0.400674 0.815371 F\n0.827258 0.599326 0.684629 F\n0.672742 0.900674 0.184629 F\n0.722314 0.793956 0.991247 F\n0.777686 0.706044 0.491247 F\n0.777686 0.293956 0.008753 F\n0.722314 0.206044 0.508753 F\n0.277686 0.206044 0.008753 F\n0.222314 0.293956 0.508753 F\n0.222314 0.706044 0.991247 F\n0.277686 0.793956 0.491247 F\n0.208802 0.688518 0.767577 F\n0.291198 0.811482 0.267577 F\n0.291198 0.188518 0.232423 F\n0.208802 0.311482 0.732423 F\n0.791198 0.311482 0.232423 F\n0.708802 0.188518 0.732423 F\n0.708802 0.811482 0.767577 F\n0.791198 0.688518 0.267577 F\n0.352324 0.920071 0.073712 F\n0.147676 0.579929 0.573712 F\n0.147676 0.420071 0.926288 F\n0.352324 0.079929 0.426288 F\n0.647676 0.079929 0.926288 F\n0.852324 0.420071 0.426288 F\n0.852324 0.579929 0.073712 F\n0.647676 0.920071 0.573712 F\n0.493693 0.679789 0.628250 F\n0.006307 0.820211 0.128250 F\n0.006307 0.179789 0.371750 F\n0.493693 0.320211 0.871750 F\n0.506307 0.320211 0.371750 F\n0.993693 0.179789 0.871750 F\n0.993693 0.820211 0.628250 F\n0.506307 0.679789 0.128250 F\n","nsites":64,"nelements":4,"elements":["Ba","Fe","O","F"],"chemical_system":"Ba-F-Fe-O","density":3.8517658640625387,"density_atomic":0.06100898397580762,"volume":1049.0258291365487,"volume_molar":9.87090813115001,"formula_full":"Ba8 Fe8 O8 F40","formula_reduced":"BaFeOF5","formula_anonymous":"ABCD5","energy":-367.0013867,"energy_per_atom":-5.7343966671875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.9773867,"band_gap":0.8303,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":56.0000029,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.775000Z","spacegroup":60},{"id":"mp-1071127","created_at":"2022-09-04T14:44:55.081802Z","structure_string":"Ca2 Ge1 Pd3\n1.0\n4.469266 -2.830687 0.000000\n4.469266 2.830687 0.000000\n2.676401 0.000000 4.563332\nCa Ge Pd\n2 1 3\ndirect\n0.870807 0.870807 0.870807 Ca\n0.129193 0.129193 0.129193 Ca\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n","nsites":6,"nelements":3,"elements":["Ca","Ge","Pd"],"chemical_system":"Ca-Ge-Pd","density":6.788948330148964,"density_atomic":0.05196502423947919,"volume":115.46227655642355,"volume_molar":11.588834698213844,"formula_full":"Ca2 Ge1 Pd3","formula_reduced":"Ca2GePd3","formula_anonymous":"AB2C3","energy":-28.92245687,"energy_per_atom":-4.8204094783333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.92245687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.36e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:48.859000Z","spacegroup":166},{"id":"mp-1190207","created_at":"2022-09-04T14:44:46.882812Z","structure_string":"Nb6 Fe6 Ge6\n1.0\n0.000000 0.000000 -6.567486\n7.108237 0.000000 0.000000\n-3.554118 -5.629471 3.283743\nNb Fe Ge\n6 6 6\ndirect\n0.897333 0.944410 0.388819 Nb\n0.508514 0.055590 0.611181 Nb\n0.506338 0.532589 0.565178 Nb\n0.941160 0.467411 0.434822 Nb\n0.091209 0.749550 0.999100 Nb\n0.092109 0.250450 0.000900 Nb\n0.251933 0.912824 0.749880 Fe\n0.502053 0.087176 0.250120 Fe\n0.251933 0.337056 0.749880 Fe\n0.502053 0.662944 0.250120 Fe\n0.750509 0.500000 0.000000 Fe\n0.750509 0.000000 0.000000 Fe\n0.172420 0.671731 0.334731 Ge\n0.837689 0.328269 0.665269 Ge\n0.172420 0.162999 0.334731 Ge\n0.837689 0.837001 0.665269 Ge\n0.468214 0.722151 0.944303 Ge\n0.523912 0.277849 0.055697 Ge\n","nsites":18,"nelements":3,"elements":["Nb","Fe","Ge"],"chemical_system":"Fe-Ge-Nb","density":8.393293575717617,"density_atomic":0.06849263332263797,"volume":262.8019850720311,"volume_molar":8.792391922839943,"formula_full":"Nb6 Fe6 Ge6","formula_reduced":"NbFeGe","formula_anonymous":"ABC","energy":-145.3308959,"energy_per_atom":-8.07393866111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.3308959,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.8017578,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.030000Z","spacegroup":46},{"id":"mp-17512","created_at":"2022-09-04T14:44:58.422486Z","structure_string":"Zn2 Au4 F16\n1.0\n5.773673 0.000000 0.000000\n0.000000 5.639707 0.000000\n0.000000 3.768176 10.466551\nZn Au F\n2 4 16\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.721251 0.866762 0.669752 Au\n0.221251 0.133238 0.830248 Au\n0.278749 0.133238 0.330248 Au\n0.778749 0.866762 0.169752 Au\n0.624256 0.567957 0.815018 F\n0.124256 0.432043 0.684982 F\n0.375744 0.432043 0.184982 F\n0.875744 0.567957 0.315018 F\n0.686895 0.170179 0.025780 F\n0.186895 0.829821 0.474220 F\n0.778537 0.662060 0.053806 F\n0.278537 0.337940 0.446194 F\n0.221463 0.337940 0.946194 F\n0.721463 0.662060 0.553806 F\n0.785344 0.066277 0.281452 F\n0.285344 0.933723 0.218548 F\n0.214656 0.933723 0.718548 F\n0.714656 0.066277 0.781452 F\n0.813105 0.170179 0.525780 F\n0.313105 0.829821 0.974220 F\n","nsites":22,"nelements":3,"elements":["Zn","Au","F"],"chemical_system":"Au-F-Zn","density":5.957197939822801,"density_atomic":0.06455209800969526,"volume":340.8099919029085,"volume_molar":9.32911701660807,"formula_full":"Zn2 Au4 F16","formula_reduced":"Zn(AuF4)2","formula_anonymous":"AB2C8","energy":-83.58317844,"energy_per_atom":-3.7992353836363635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.19117844,"band_gap":1.7174,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006128,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.283000Z","spacegroup":14}]}