{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10237","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10235","results":[{"id":"mp-1208288","created_at":"2022-09-04T14:40:55.228577Z","structure_string":"U12 Ta8 Al86\n1.0\n5.569711 -9.647022 0.000000\n5.569711 9.647022 0.000000\n0.000000 0.000000 17.555788\nU Ta Al\n12 8 86\ndirect\n0.526793 0.000000 0.590480 U\n0.473207 0.000000 0.409520 U\n0.000000 0.526793 0.590480 U\n0.473207 0.000000 0.090480 U\n0.000000 0.526793 0.909520 U\n0.000000 0.473207 0.409520 U\n0.526793 0.000000 0.909520 U\n0.000000 0.473207 0.090480 U\n0.473207 0.473207 0.590480 U\n0.526793 0.526793 0.409520 U\n0.526793 0.526793 0.090480 U\n0.473207 0.473207 0.909520 U\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.724307 0.000000 0.750000 Ta\n0.275693 0.000000 0.250000 Ta\n0.000000 0.724307 0.750000 Ta\n0.000000 0.275693 0.250000 Ta\n0.275693 0.275693 0.750000 Ta\n0.724307 0.724307 0.250000 Ta\n0.148428 0.592987 0.750000 Al\n0.851572 0.407013 0.250000 Al\n0.407013 0.555441 0.750000 Al\n0.592987 0.148428 0.750000 Al\n0.592987 0.444559 0.250000 Al\n0.407013 0.851572 0.250000 Al\n0.444559 0.851572 0.750000 Al\n0.555441 0.407013 0.750000 Al\n0.555441 0.148428 0.250000 Al\n0.444559 0.592987 0.250000 Al\n0.851572 0.444559 0.750000 Al\n0.148428 0.555441 0.250000 Al\n0.160740 0.000000 0.114906 Al\n0.839260 0.000000 0.885094 Al\n0.000000 0.160740 0.114906 Al\n0.839260 0.000000 0.614906 Al\n0.000000 0.160740 0.385094 Al\n0.000000 0.839260 0.885094 Al\n0.160740 0.000000 0.385094 Al\n0.000000 0.839260 0.614906 Al\n0.839260 0.839260 0.114906 Al\n0.160740 0.160740 0.885094 Al\n0.160740 0.160740 0.614906 Al\n0.839260 0.839260 0.385094 Al\n0.247056 0.494111 0.500000 Al\n0.752944 0.505889 0.500000 Al\n0.505889 0.752944 0.500000 Al\n0.752944 0.505889 0.000000 Al\n0.494111 0.247056 0.000000 Al\n0.494111 0.247056 0.500000 Al\n0.247056 0.494111 0.000000 Al\n0.505889 0.752944 0.000000 Al\n0.247056 0.752944 0.500000 Al\n0.752944 0.247056 0.500000 Al\n0.752944 0.247056 0.000000 Al\n0.247056 0.752944 0.000000 Al\n0.146338 0.000000 0.750000 Al\n0.853662 0.000000 0.250000 Al\n0.000000 0.146338 0.750000 Al\n0.000000 0.853662 0.250000 Al\n0.853662 0.853662 0.750000 Al\n0.146338 0.146338 0.250000 Al\n0.333333 0.666667 0.626782 Al\n0.666667 0.333333 0.373218 Al\n0.666667 0.333333 0.126782 Al\n0.666667 0.333333 0.873218 Al\n0.333333 0.666667 0.873218 Al\n0.333333 0.666667 0.126782 Al\n0.333333 0.666667 0.373218 Al\n0.666667 0.333333 0.626782 Al\n0.256960 0.000000 0.529490 Al\n0.743040 0.000000 0.470510 Al\n0.000000 0.256960 0.529490 Al\n0.743040 0.000000 0.029490 Al\n0.000000 0.256960 0.970510 Al\n0.000000 0.743040 0.470510 Al\n0.256960 0.000000 0.970510 Al\n0.000000 0.743040 0.029490 Al\n0.743040 0.743040 0.529490 Al\n0.256960 0.256960 0.470510 Al\n0.256960 0.256960 0.029490 Al\n0.743040 0.743040 0.970510 Al\n0.157484 0.395362 0.663081 Al\n0.842516 0.604638 0.336919 Al\n0.604638 0.762122 0.663081 Al\n0.842516 0.604638 0.163081 Al\n0.395362 0.157484 0.836919 Al\n0.395362 0.237878 0.336919 Al\n0.157484 0.395362 0.836919 Al\n0.604638 0.842516 0.163081 Al\n0.237878 0.842516 0.663081 Al\n0.395362 0.237878 0.163081 Al\n0.762122 0.604638 0.836919 Al\n0.762122 0.157484 0.336919 Al\n0.604638 0.762122 0.836919 Al\n0.237878 0.395362 0.163081 Al\n0.604638 0.842516 0.336919 Al\n0.395362 0.157484 0.663081 Al\n0.762122 0.157484 0.163081 Al\n0.237878 0.395362 0.336919 Al\n0.237878 0.842516 0.836919 Al\n0.762122 0.604638 0.663081 Al\n0.842516 0.237878 0.836919 Al\n0.157484 0.762122 0.163081 Al\n0.157484 0.762122 0.336919 Al\n0.842516 0.237878 0.663081 Al\n","nsites":106,"nelements":3,"elements":["U","Ta","Al"],"chemical_system":"Al-Ta-U","density":5.830631683990533,"density_atomic":0.056186193656435,"volume":1886.5844632253325,"volume_molar":10.718186031294337,"formula_full":"U12 Ta8 Al86","formula_reduced":"U6Ta4Al43","formula_anonymous":"A4B6C43","energy":-571.67766877,"energy_per_atom":-5.393185554433962,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-571.67766877,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.9805643,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.240000Z","spacegroup":193},{"id":"mp-1365117","created_at":"2022-09-04T14:40:55.231918Z","structure_string":"V4 P8 O28\n1.0\n-6.367378 0.000000 0.000000\n2.686023 9.092135 0.000000\n-0.845742 -4.475635 -9.567451\nV P O\n4 8 28\ndirect\n0.627333 0.501858 0.242487 V\n0.372667 0.498142 0.757513 V\n0.730647 0.094479 0.221563 V\n0.269353 0.905521 0.778437 V\n0.944570 0.816634 0.219906 P\n0.309601 0.797725 0.033859 P\n0.891315 0.550148 0.698864 P\n0.108685 0.449852 0.301136 P\n0.055430 0.183366 0.780094 P\n0.407943 0.678616 0.538984 P\n0.690399 0.202275 0.966141 P\n0.592057 0.321384 0.461016 P\n0.190633 0.543958 0.458718 O\n0.925303 0.262482 0.913771 O\n0.065442 0.882713 0.354318 O\n0.426731 0.671591 0.682042 O\n0.125458 0.053604 0.817287 O\n0.727679 0.671935 0.195616 O\n0.730939 0.105614 0.051479 O\n0.941416 0.511846 0.265780 O\n0.641421 0.148494 0.408137 O\n0.597454 0.650861 0.444776 O\n0.682996 0.529800 0.780323 O\n0.453514 0.919532 0.162417 O\n0.317004 0.470200 0.219677 O\n0.989827 0.725385 0.718590 O\n0.272321 0.328065 0.804384 O\n0.809367 0.456042 0.541282 O\n0.932934 0.103000 0.641485 O\n0.269061 0.894386 0.948521 O\n0.358579 0.851506 0.591863 O\n0.074697 0.737518 0.086229 O\n0.010173 0.274615 0.281410 O\n0.393557 0.652751 0.942165 O\n0.606443 0.347249 0.057835 O\n0.874542 0.946396 0.182713 O\n0.055081 0.475727 0.725710 O\n0.402546 0.349139 0.555224 O\n0.573269 0.328409 0.317958 O\n0.551093 0.067612 0.833224 O\n","nsites":40,"nelements":3,"elements":["V","P","O"],"chemical_system":"O-P-V","density":2.6967859868409585,"density_atomic":0.07221663307064287,"volume":553.8890183494389,"volume_molar":8.33899408479636,"formula_full":"V4 P8 O28","formula_reduced":"VP2O7","formula_anonymous":"AB2C7","energy":-318.11786556,"energy_per_atom":-7.952946638999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.08186556,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0049475,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.224000Z","spacegroup":1},{"id":"mp-1228674","created_at":"2022-09-04T14:40:55.238069Z","structure_string":"Ba8 Al4 Zn4 F36\n1.0\n5.671843 0.000000 0.000000\n0.000000 7.522415 0.000000\n0.000000 0.000000 17.877205\nBa Al Zn F\n8 4 4 36\ndirect\n0.750000 0.939659 0.783955 Ba\n0.750000 0.560341 0.283955 Ba\n0.250000 0.060341 0.216045 Ba\n0.250000 0.439659 0.716045 Ba\n0.250000 0.288856 0.464152 Ba\n0.250000 0.211144 0.964152 Ba\n0.750000 0.711144 0.535848 Ba\n0.750000 0.788856 0.035848 Ba\n0.750000 0.417274 0.874462 Al\n0.750000 0.082726 0.374462 Al\n0.250000 0.582726 0.125538 Al\n0.250000 0.917274 0.625538 Al\n0.250000 0.732671 0.911284 Zn\n0.250000 0.767329 0.411284 Zn\n0.750000 0.267329 0.088716 Zn\n0.750000 0.232671 0.588716 Zn\n0.750000 0.564911 0.795774 F\n0.750000 0.935089 0.295774 F\n0.250000 0.435089 0.204226 F\n0.250000 0.064911 0.704226 F\n0.519528 0.952704 0.423983 F\n0.980472 0.547296 0.923983 F\n0.019528 0.047296 0.576017 F\n0.480472 0.452704 0.076017 F\n0.480472 0.047296 0.576017 F\n0.019528 0.452704 0.076017 F\n0.980472 0.952704 0.423983 F\n0.519528 0.547296 0.923983 F\n0.999438 0.576874 0.418718 F\n0.500562 0.923126 0.918718 F\n0.499438 0.423126 0.581282 F\n0.000562 0.076874 0.081282 F\n0.000562 0.423126 0.581282 F\n0.499438 0.076874 0.081282 F\n0.500562 0.576874 0.418718 F\n0.999438 0.923126 0.918718 F\n0.517815 0.223934 0.336813 F\n0.982185 0.276066 0.836813 F\n0.017815 0.776066 0.663187 F\n0.482185 0.723934 0.163187 F\n0.482185 0.776066 0.663187 F\n0.017815 0.723934 0.163187 F\n0.982185 0.223934 0.336813 F\n0.517815 0.276066 0.836813 F\n0.250000 0.774689 0.537268 F\n0.250000 0.725311 0.037268 F\n0.750000 0.225311 0.462732 F\n0.750000 0.274689 0.962732 F\n0.250000 0.720712 0.802544 F\n0.250000 0.779288 0.302544 F\n0.750000 0.279288 0.197456 F\n0.750000 0.220712 0.697456 F\n","nsites":52,"nelements":4,"elements":["Ba","Al","Zn","F"],"chemical_system":"Al-Ba-F-Zn","density":4.6852698130140675,"density_atomic":0.0681745426957081,"volume":762.7480573224825,"volume_molar":8.833415703101036,"formula_full":"Ba8 Al4 Zn4 F36","formula_reduced":"Ba2AlZnF9","formula_anonymous":"ABC2D9","energy":-298.88232259,"energy_per_atom":-5.747736972884615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.25032259,"band_gap":5.658799999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059928,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.847000Z","spacegroup":62},{"id":"mp-1208839","created_at":"2022-09-04T14:40:55.246742Z","structure_string":"Sr4 H12 Pt2\n1.0\n2.821089 -6.880269 0.000000\n2.821089 6.880269 0.000000\n0.000000 0.000000 5.645182\nSr H Pt\n4 12 2\ndirect\n0.646054 0.353946 0.000000 Sr\n0.353946 0.646054 0.000000 Sr\n0.853946 0.146054 0.500000 Sr\n0.146054 0.853946 0.500000 Sr\n0.878817 0.121183 0.000000 H\n0.121183 0.878817 0.000000 H\n0.621183 0.378817 0.500000 H\n0.378817 0.621183 0.500000 H\n0.001257 0.501257 0.250000 H\n0.998743 0.498743 0.750000 H\n0.498743 0.998743 0.750000 H\n0.501257 0.001257 0.250000 H\n0.206970 0.206970 0.220196 H\n0.793030 0.793030 0.779804 H\n0.293030 0.293030 0.720196 H\n0.706970 0.706970 0.279804 H\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n","nsites":18,"nelements":3,"elements":["Sr","H","Pt"],"chemical_system":"H-Pt-Sr","density":5.703820305792807,"density_atomic":0.08213766554459521,"volume":219.14428515413815,"volume_molar":7.3317651774877675,"formula_full":"Sr4 H12 Pt2","formula_reduced":"Sr2H6Pt","formula_anonymous":"AB2C6","energy":-71.85266546999999,"energy_per_atom":-3.991814748333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.70466547,"band_gap":1.2760000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003032,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.737000Z","spacegroup":64},{"id":"mp-1220701","created_at":"2022-09-04T14:40:55.250738Z","structure_string":"Nb3 Ir2 Se10\n1.0\n5.798063 0.000000 0.000000\n-0.025259 7.758823 0.000000\n-2.692340 -3.721393 8.038062\nNb Ir Se\n3 2 10\ndirect\n0.335584 0.642872 0.648292 Nb\n0.500000 0.000000 0.000000 Nb\n0.664416 0.357128 0.351708 Nb\n0.887889 0.793029 0.792956 Ir\n0.112111 0.206971 0.207044 Ir\n0.269416 0.658978 0.910820 Se\n0.465223 0.036089 0.292550 Se\n0.689622 0.456935 0.682880 Se\n0.896715 0.866918 0.090527 Se\n0.089388 0.279551 0.493236 Se\n0.103285 0.133082 0.909473 Se\n0.310378 0.543065 0.317120 Se\n0.534777 0.963911 0.707450 Se\n0.730584 0.341022 0.089180 Se\n0.910612 0.720449 0.506764 Se\n","nsites":15,"nelements":3,"elements":["Nb","Ir","Se"],"chemical_system":"Ir-Nb-Se","density":6.671304966150501,"density_atomic":0.0414821380867184,"volume":361.60141911302895,"volume_molar":14.517430966096097,"formula_full":"Nb3 Ir2 Se10","formula_reduced":"Nb3(IrSe5)2","formula_anonymous":"A2B3C10","energy":-96.53396658,"energy_per_atom":-6.4355977719999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.81396658,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008406,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.965000Z","spacegroup":2},{"id":"mp-1187721","created_at":"2022-09-04T14:40:55.253242Z","structure_string":"Y2 Mg1 Tl1\n1.0\n0.000000 3.785154 3.785154\n3.785154 0.000000 3.785154\n3.785154 3.785154 0.000000\nY Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":3,"elements":["Y","Mg","Tl"],"chemical_system":"Mg-Tl-Y","density":6.223418277178569,"density_atomic":0.03687901686246271,"volume":108.46276122049765,"volume_molar":16.32945038220266,"formula_full":"Y2 Mg1 Tl1","formula_reduced":"Y2MgTl","formula_anonymous":"ABC2","energy":-17.96782935,"energy_per_atom":-4.4919573375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.96782935,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0124268,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.095000Z","spacegroup":225},{"id":"mp-1211829","created_at":"2022-09-04T14:40:55.297062Z","structure_string":"K2 Ce2 S4 O16\n1.0\n5.522102 0.000000 0.000000\n0.225365 7.133169 0.000000\n0.182667 0.642034 8.599013\nK Ce S O\n2 2 4 16\ndirect\n0.252585 0.845520 0.186697 K\n0.747415 0.154480 0.813303 K\n0.685692 0.317752 0.295695 Ce\n0.314308 0.682248 0.704305 Ce\n0.221503 0.199736 0.546679 S\n0.778497 0.800264 0.453321 S\n0.242410 0.326088 0.069959 S\n0.757590 0.673912 0.930041 S\n0.019794 0.215875 0.103238 O\n0.980206 0.784125 0.896762 O\n0.213182 0.051586 0.676054 O\n0.786818 0.948414 0.323946 O\n0.462462 0.195236 0.078857 O\n0.537538 0.804764 0.921143 O\n0.768865 0.577000 0.086755 O\n0.231135 0.423000 0.913245 O\n0.273674 0.458187 0.194229 O\n0.726326 0.541813 0.805771 O\n0.372757 0.359337 0.588117 O\n0.627243 0.640663 0.411883 O\n0.336759 0.126234 0.404907 O\n0.663241 0.873766 0.595093 O\n0.031249 0.728003 0.486470 O\n0.968751 0.271997 0.513530 O\n","nsites":24,"nelements":4,"elements":["K","Ce","S","O"],"chemical_system":"Ce-K-O-S","density":3.640949858641004,"density_atomic":0.07085584772882657,"volume":338.71586847497395,"volume_molar":8.499144323341417,"formula_full":"K2 Ce2 S4 O16","formula_reduced":"KCe(SO4)2","formula_anonymous":"ABC2D8","energy":-170.23017378999998,"energy_per_atom":-7.092923907916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.23817379,"band_gap":0.3395999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.000252,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.483000Z","spacegroup":2},{"id":"mp-1201513","created_at":"2022-09-04T14:40:55.255468Z","structure_string":"K15 Al5 F30\n1.0\n0.000000 0.000000 8.735534\n-6.772961 6.772961 4.367767\n-6.772961 -6.772961 4.367767\nK Al F\n15 5 30\ndirect\n0.250000 0.500000 0.500000 K\n0.750000 0.500000 0.500000 K\n0.516201 0.317672 0.104278 K\n0.938152 0.682328 0.895722 K\n0.833874 0.104278 0.682328 K\n0.620479 0.895722 0.317672 K\n0.483799 0.682328 0.895722 K\n0.061848 0.317672 0.104278 K\n0.166126 0.895722 0.317672 K\n0.379521 0.104278 0.682328 K\n0.500000 0.000000 0.000000 K\n0.085952 0.645745 0.182351 K\n0.914048 0.354255 0.817649 K\n0.731697 0.182351 0.354255 K\n0.268303 0.817649 0.645745 K\n0.000000 0.000000 0.000000 Al\n0.593731 0.605087 0.207451 Al\n0.406269 0.394913 0.792549 Al\n0.198818 0.207451 0.394913 Al\n0.801182 0.792549 0.605087 Al\n0.879259 0.186214 0.055268 F\n0.120741 0.813786 0.944732 F\n0.065473 0.055268 0.813786 F\n0.934527 0.944732 0.186214 F\n0.791276 0.000000 0.000000 F\n0.208724 0.000000 0.000000 F\n0.549868 0.776286 0.123979 F\n0.450132 0.223714 0.876021 F\n0.326153 0.123979 0.223714 F\n0.673847 0.876021 0.776286 F\n0.463768 0.692420 0.380045 F\n0.536232 0.307580 0.619955 F\n0.156187 0.380045 0.307580 F\n0.843813 0.619955 0.692420 F\n0.636003 0.436568 0.291426 F\n0.363997 0.563432 0.708574 F\n0.072571 0.291426 0.563432 F\n0.927429 0.708574 0.436568 F\n0.722764 0.522666 0.031807 F\n0.277236 0.477334 0.968193 F\n0.245429 0.031807 0.477334 F\n0.754571 0.968193 0.522666 F\n0.382426 0.607461 0.204274 F\n0.194162 0.392539 0.795726 F\n0.989888 0.204274 0.392539 F\n0.586700 0.795726 0.607461 F\n0.617574 0.392539 0.795726 F\n0.805838 0.607461 0.204274 F\n0.010112 0.795726 0.607461 F\n0.413300 0.204274 0.392539 F\n","nsites":50,"nelements":3,"elements":["K","Al","F"],"chemical_system":"Al-F-K","density":2.6755383278625486,"density_atomic":0.062386899201789206,"volume":801.4503147251473,"volume_molar":9.652893214842274,"formula_full":"K15 Al5 F30","formula_reduced":"K3AlF6","formula_anonymous":"AB3C6","energy":-264.13809237,"energy_per_atom":-5.2827618474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-250.27809237,"band_gap":6.431000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.8e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.436000Z","spacegroup":87},{"id":"mp-972184","created_at":"2022-09-04T14:40:55.262065Z","structure_string":"V1 Pt1 O3\n1.0\n3.813340 0.000000 0.000000\n0.000000 3.813340 0.000000\n0.000000 0.000000 3.813340\nV Pt O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["V","Pt","O"],"chemical_system":"O-Pt-V","density":8.804705797753165,"density_atomic":0.09016820358831847,"volume":55.45191986776771,"volume_molar":6.678785337118755,"formula_full":"V1 Pt1 O3","formula_reduced":"VPtO3","formula_anonymous":"ABC3","energy":-34.7803194,"energy_per_atom":-6.95606388,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.0193194,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9984346,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.463000Z","spacegroup":221},{"id":"mp-1098702","created_at":"2022-09-04T14:40:55.263368Z","structure_string":"Ce2 Se4\n1.0\n2.150890 -3.725451 0.000000\n2.150890 3.725451 0.000000\n0.000000 0.000000 23.856361\nCe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.666667 0.333333 0.939359 Se\n0.333333 0.666667 0.060641 Se\n0.333333 0.666667 0.439359 Se\n0.666667 0.333333 0.560641 Se\n","nsites":6,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":2.5889077133903404,"density_atomic":0.01569350682810889,"volume":382.32372571140723,"volume_molar":38.37345486869543,"formula_full":"Ce2 Se4","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-36.97745211,"energy_per_atom":-6.1629086850000006,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.08945211,"band_gap":1.1233,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.21e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.623000Z","spacegroup":194},{"id":"mp-729139","created_at":"2022-09-04T14:40:55.261531Z","structure_string":"Na1 Nb6 O16\n1.0\n5.263156 -7.536138 0.000000\n5.263156 7.536138 0.000000\n0.000000 0.000000 3.931465\nNa Nb O\n1 6 16\ndirect\n0.403184 0.596816 0.500000 Na\n0.996987 0.003013 0.000000 Nb\n0.211248 0.788752 0.000000 Nb\n0.381162 0.258994 0.000000 Nb\n0.741006 0.618838 0.000000 Nb\n0.627985 0.999932 0.000000 Nb\n0.000068 0.372015 0.000000 Nb\n0.997330 0.002670 0.500000 O\n0.223659 0.776341 0.500000 O\n0.367678 0.278064 0.500000 O\n0.721936 0.632322 0.500000 O\n0.632716 0.012140 0.500000 O\n0.987860 0.367284 0.500000 O\n0.232388 0.012388 0.000000 O\n0.987612 0.767612 0.000000 O\n0.442686 0.821519 0.000000 O\n0.178481 0.557314 0.000000 O\n0.759213 0.851247 0.000000 O\n0.148753 0.240787 0.000000 O\n0.535802 0.166070 0.000000 O\n0.833930 0.464198 0.000000 O\n0.859765 0.140235 0.000000 O\n0.516553 0.483447 0.000000 O\n","nsites":23,"nelements":3,"elements":["Na","Nb","O"],"chemical_system":"Na-Nb-O","density":4.45341539947596,"density_atomic":0.07374767640614031,"volume":311.87423280070954,"volume_molar":8.16587186670818,"formula_full":"Na1 Nb6 O16","formula_reduced":"NaNb6O16","formula_anonymous":"AB6C16","energy":-207.59980502,"energy_per_atom":-9.026078479130435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.60780502000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0427532,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.054000Z","spacegroup":38},{"id":"mp-1190530","created_at":"2022-09-04T14:40:55.266985Z","structure_string":"Ba3 Ge16 Ir4\n1.0\n-3.298504 3.298504 11.352434\n3.298504 -3.298504 11.352434\n3.298504 3.298504 -11.352434\nBa Ge Ir\n3 16 4\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.115446 0.115446 0.491152 Ge\n0.624294 0.624294 0.508848 Ge\n0.115446 0.624294 0.000000 Ge\n0.624294 0.115446 0.000000 Ge\n0.884554 0.884554 0.508848 Ge\n0.375706 0.375706 0.491152 Ge\n0.884554 0.375706 0.000000 Ge\n0.375706 0.884554 0.000000 Ge\n0.223919 0.500000 0.723919 Ge\n0.776081 0.500000 0.276081 Ge\n0.500000 0.776081 0.276081 Ge\n0.500000 0.223919 0.723919 Ge\n0.805574 0.805574 0.000000 Ge\n0.194426 0.194426 0.000000 Ge\n0.692418 0.692418 0.000000 Ge\n0.307582 0.307582 0.000000 Ge\n0.910626 0.410626 0.500000 Ir\n0.410626 0.910626 0.500000 Ir\n0.089374 0.589374 0.500000 Ir\n0.589374 0.089374 0.500000 Ir\n","nsites":23,"nelements":3,"elements":["Ba","Ge","Ir"],"chemical_system":"Ba-Ge-Ir","density":7.875078207255153,"density_atomic":0.046552695094348694,"volume":494.0637690983461,"volume_molar":12.936180704027732,"formula_full":"Ba3 Ge16 Ir4","formula_reduced":"Ba3(Ge4Ir)4","formula_anonymous":"A3B4C16","energy":-123.87378137999998,"energy_per_atom":-5.38581658173913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.87378137999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0055143,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.200000Z","spacegroup":139}]}