{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=structure_string&page=120","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=structure_string&page=118","results":[{"id":"mp-1229027","created_at":"2022-09-04T14:43:59.641169Z","structure_string":"Al1 Cu1 Sn1 Se4\n1.0\n-2.829976 2.829976 5.668448\n2.829976 -2.829976 5.668448\n2.829976 2.829976 -5.668448\nAl Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.100119 0.104352 0.458973 Se\n0.645379 0.641146 0.541027 Se\n0.358854 0.899881 0.004233 Se\n0.895648 0.354621 0.995767 Se\n","nsites":7,"nelements":4,"elements":["Al","Cu","Sn","Se"],"chemical_system":"Al-Cu-Se-Sn","density":4.801565692513809,"density_atomic":0.03854857929946192,"volume":181.58905275395477,"volume_molar":15.62221194513402,"formula_full":"Al1 Cu1 Sn1 Se4","formula_reduced":"AlCuSnSe4","formula_anonymous":"ABCD4","energy":-31.247496450000003,"energy_per_atom":-4.463928064285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.35949645,"band_gap":0.5512999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.97e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.276000Z","spacegroup":82},{"id":"mp-1066394","created_at":"2022-09-04T14:45:15.438671Z","structure_string":"Al1 Cu1 Te2\n1.0\n0.000000 3.514924 3.514924\n3.514924 0.000000 3.514924\n3.514924 3.514924 0.000000\nAl Cu Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 Te\n0.250000 0.250000 0.250000 Te\n","nsites":4,"nelements":3,"elements":["Al","Cu","Te"],"chemical_system":"Al-Cu-Te","density":6.610057825039153,"density_atomic":0.04605557177085294,"volume":86.85159788921497,"volume_molar":13.075813692994286,"formula_full":"Al1 Cu1 Te2","formula_reduced":"AlCuTe2","formula_anonymous":"ABC2","energy":-13.80931755,"energy_per_atom":-3.4523293875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.96531755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.89e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.696000Z","spacegroup":225},{"id":"mp-1047109","created_at":"2022-09-04T14:45:20.126930Z","structure_string":"Al1 Cu1 W2 O8\n1.0\n5.072150 0.000000 0.000000\n-2.249766 5.129885 0.000000\n-0.073385 -2.150590 5.309923\nAl Cu W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Cu\n0.248715 0.498449 0.183905 W\n0.751285 0.501551 0.816095 W\n0.210299 0.779654 0.437321 O\n0.224469 0.241123 0.324056 O\n0.156995 0.702447 0.961394 O\n0.320766 0.287882 0.813118 O\n0.775531 0.758877 0.675944 O\n0.789701 0.220346 0.562679 O\n0.843005 0.297553 0.038606 O\n0.679234 0.712118 0.186882 O\n","nsites":12,"nelements":4,"elements":["Al","Cu","W","O"],"chemical_system":"Al-Cu-O-W","density":7.045454251254369,"density_atomic":0.08685469604291611,"volume":138.16178683154487,"volume_molar":6.933581066272314,"formula_full":"Al1 Cu1 W2 O8","formula_reduced":"AlCu(WO4)2","formula_anonymous":"ABC2D8","energy":-98.91854002,"energy_per_atom":-8.243211668333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.54654002,"band_gap":1.1739999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.044000Z","spacegroup":2},{"id":"mp-12777","created_at":"2022-09-04T14:48:12.119287Z","structure_string":"Al1 Cu3\n1.0\n0.000000 2.918466 2.918466\n2.918466 0.000000 2.918466\n2.918466 2.918466 0.000000\nAl Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n","nsites":4,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":7.268638539755469,"density_atomic":0.08045741612485013,"volume":49.715740234473635,"volume_molar":7.484879641989891,"formula_full":"Al1 Cu3","formula_reduced":"AlCu3","formula_anonymous":"AB3","energy":-16.70141146,"energy_per_atom":-4.175352865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.70141146,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004977,"is_theoretical":false,"updated_at":"2021-11-28T01:38:38.775000Z","spacegroup":225},{"id":"mp-1008555","created_at":"2022-09-04T14:46:08.011899Z","structure_string":"Al1 Cu3\n1.0\n3.671481 0.000000 0.000000\n0.000000 3.671481 0.000000\n0.000000 0.000000 3.671481\nAl Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n","nsites":4,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":7.301685574959696,"density_atomic":0.08082321764993307,"volume":49.49072947485298,"volume_molar":7.451003480316138,"formula_full":"Al1 Cu3","formula_reduced":"AlCu3","formula_anonymous":"AB3","energy":-16.76917125,"energy_per_atom":-4.1922928125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.76917125,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005383,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.163000Z","spacegroup":221},{"id":"mp-1045607","created_at":"2022-09-04T14:40:12.420483Z","structure_string":"Al1 Cu3 Ag4 O12\n1.0\n-3.853352 3.853352 3.853352\n3.853352 -3.853352 3.853352\n3.853352 3.853352 -3.853352\nAl Cu Ag O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.308986 0.153624 0.844638 O\n0.691014 0.846376 0.155362 O\n0.691014 0.535652 0.844638 O\n0.464348 0.155362 0.308986 O\n0.155362 0.308986 0.464348 O\n0.844638 0.308986 0.153624 O\n0.846376 0.155362 0.691014 O\n0.844638 0.691014 0.535652 O\n0.308986 0.464348 0.155362 O\n0.535652 0.844638 0.691014 O\n0.155362 0.691014 0.846376 O\n0.153624 0.844638 0.308986 O\n","nsites":20,"nelements":4,"elements":["Al","Cu","Ag","O"],"chemical_system":"Ag-Al-Cu-O","density":6.1025734587077105,"density_atomic":0.08738843356678493,"volume":228.8632394894158,"volume_molar":6.891233214974262,"formula_full":"Al1 Cu3 Ag4 O12","formula_reduced":"AlCu3(AgO3)4","formula_anonymous":"AB3C4D12","energy":-98.32611648,"energy_per_atom":-4.916305824,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.08211648,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013212,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.303000Z","spacegroup":204},{"id":"mp-1045637","created_at":"2022-09-04T14:40:41.507484Z","structure_string":"Al1 Cu3 Bi4 O12\n1.0\n-4.103006 4.103006 4.103006\n4.103006 -4.103006 4.103006\n4.103006 4.103006 -4.103006\nAl Cu Bi O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.325949 0.844078 0.170027 O\n0.674051 0.155922 0.829973 O\n0.674051 0.844078 0.518129 O\n0.829973 0.674051 0.155922 O\n0.844078 0.170027 0.325949 O\n0.155922 0.481871 0.325949 O\n0.481871 0.325949 0.155922 O\n0.155922 0.829973 0.674051 O\n0.325949 0.155922 0.481871 O\n0.170027 0.325949 0.844078 O\n0.844078 0.518129 0.674051 O\n0.518129 0.674051 0.844078 O\n","nsites":20,"nelements":4,"elements":["Al","Cu","Bi","O"],"chemical_system":"Al-Bi-Cu-O","density":7.4857999308060075,"density_atomic":0.07238749503809129,"volume":276.29081500162044,"volume_molar":8.319310893174391,"formula_full":"Al1 Cu3 Bi4 O12","formula_reduced":"AlCu3(BiO3)4","formula_anonymous":"AB3C4D12","energy":-114.80856386,"energy_per_atom":-5.7404281930000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.56456386,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6296693,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.128000Z","spacegroup":204},{"id":"mp-1182880","created_at":"2022-09-04T14:40:11.043905Z","structure_string":"Al1 Cu3 Hg1 Se4\n1.0\n5.895845 0.000000 0.000000\n0.000000 5.895845 0.000000\n0.000000 0.000000 5.895845\nAl Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.236319 0.236319 0.236319 Se\n0.763681 0.763681 0.236319 Se\n0.236319 0.763681 0.763681 Se\n0.763681 0.236319 0.763681 Se\n","nsites":9,"nelements":4,"elements":["Al","Cu","Hg","Se"],"chemical_system":"Al-Cu-Hg-Se","density":5.947525255485975,"density_atomic":0.043914135425508094,"volume":204.94539885151042,"volume_molar":13.713444888868201,"formula_full":"Al1 Cu3 Hg1 Se4","formula_reduced":"AlCu3HgSe4","formula_anonymous":"ABC3D4","energy":-34.13306963,"energy_per_atom":-3.7925632922222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.24506963,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0121324,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.233000Z","spacegroup":215},{"id":"mp-1045851","created_at":"2022-09-04T14:39:40.650532Z","structure_string":"Al1 Cu3 Mo4 O12\n1.0\n-3.833575 3.833575 3.833575\n3.833575 -3.833575 3.833575\n3.833575 3.833575 -3.833575\nAl Cu Mo O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.303427 0.830597 0.134025 O\n0.696573 0.169403 0.865975 O\n0.696573 0.830597 0.527170 O\n0.865975 0.696573 0.169403 O\n0.830597 0.134025 0.303427 O\n0.169403 0.472830 0.303427 O\n0.472830 0.303427 0.169403 O\n0.169403 0.865975 0.696573 O\n0.303427 0.169403 0.472830 O\n0.134025 0.303427 0.830597 O\n0.830597 0.527170 0.696573 O\n0.527170 0.696573 0.830597 O\n","nsites":20,"nelements":4,"elements":["Al","Cu","Mo","O"],"chemical_system":"Al-Cu-Mo-O","density":5.845938846913388,"density_atomic":0.08874790539018329,"volume":225.35743139028799,"volume_molar":6.785670865721785,"formula_full":"Al1 Cu3 Mo4 O12","formula_reduced":"AlCu3(MoO3)4","formula_anonymous":"AB3C4D12","energy":-149.92531942,"energy_per_atom":-7.496265971,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.87331942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0002939,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.889000Z","spacegroup":204},{"id":"mp-1147771","created_at":"2022-09-04T14:42:52.109010Z","structure_string":"Al1 Cu3 N3\n1.0\n4.070081 0.000000 0.000000\n0.000000 4.070081 0.000000\n0.000000 0.000000 4.070081\nAl Cu N\n1 3 3\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n","nsites":7,"nelements":3,"elements":["Al","Cu","N"],"chemical_system":"Al-Cu-N","density":6.394563970798972,"density_atomic":0.10382187860971188,"volume":67.42316835081034,"volume_molar":5.800454432767956,"formula_full":"Al1 Cu3 N3","formula_reduced":"Al(CuN)3","formula_anonymous":"AB3C3","energy":-41.43689687,"energy_per_atom":-5.919556695714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.35389687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004818,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.823000Z","spacegroup":221},{"id":"mp-1045829","created_at":"2022-09-04T14:43:18.151224Z","structure_string":"Al1 Cu3 Ni4 O12\n1.0\n3.593273 5.042534 0.000000\n-3.593273 5.042534 0.000000\n0.000000 5.031932 5.103796\nAl Cu Ni O\n1 3 4 12\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.690380 0.690380 0.984424 O\n0.309620 0.309620 0.015576 O\n0.291561 0.291561 0.365760 O\n0.532546 0.135395 0.663352 O\n0.832892 0.163361 0.202110 O\n0.163361 0.832892 0.202110 O\n0.135395 0.532546 0.663352 O\n0.167108 0.836639 0.797890 O\n0.708439 0.708439 0.634240 O\n0.467454 0.864605 0.336648 O\n0.836639 0.167108 0.797890 O\n0.864605 0.467454 0.336648 O\n","nsites":20,"nelements":4,"elements":["Al","Cu","Ni","O"],"chemical_system":"Al-Cu-Ni-O","density":5.78539212687579,"density_atomic":0.10813533835817907,"volume":184.95341396864694,"volume_molar":5.569077464808712,"formula_full":"Al1 Cu3 Ni4 O12","formula_reduced":"AlCu3(NiO3)4","formula_anonymous":"AB3C4D12","energy":-118.60492242,"energy_per_atom":-5.930246121,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.19692242000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.999568,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.506000Z","spacegroup":12},{"id":"mp-1394351","created_at":"2022-09-04T14:39:41.179352Z","structure_string":"Al1 Cu3 O6\n1.0\n1.423019 5.725282 0.000000\n-1.423019 5.725282 0.000000\n0.000000 4.555773 8.155167\nAl Cu O\n1 3 6\ndirect\n0.500000 0.500000 0.500000 Al\n0.176000 0.176000 0.646303 Cu\n0.824000 0.824000 0.353697 Cu\n0.500000 0.500000 0.000000 Cu\n0.958870 0.958870 0.397677 O\n0.634481 0.634481 0.032822 O\n0.318918 0.318918 0.666384 O\n0.041130 0.041130 0.602323 O\n0.681082 0.681082 0.333616 O\n0.365519 0.365519 0.967178 O\n","nsites":10,"nelements":3,"elements":["Al","Cu","O"],"chemical_system":"Al-Cu-O","density":3.9190137538886476,"density_atomic":0.07525399563493163,"volume":132.88330959211115,"volume_molar":8.002419950183516,"formula_full":"Al1 Cu3 O6","formula_reduced":"Al(CuO2)3","formula_anonymous":"AB3C6","energy":-54.16279492,"energy_per_atom":-5.416279492,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.04079492000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0061068,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.896000Z","spacegroup":12}]}