{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10124","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10122","results":[{"id":"mp-1106347","created_at":"2022-09-04T14:48:23.668099Z","structure_string":"Th2 B8 Rh8\n1.0\n5.392304 0.000000 0.000000\n0.000000 5.392304 0.000000\n0.000000 0.000000 7.622436\nTh B Rh\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Th\n0.833875 0.500000 0.152091 B\n0.166125 0.500000 0.152091 B\n0.000000 0.333875 0.652091 B\n0.000000 0.666125 0.652091 B\n0.666125 0.000000 0.347909 B\n0.333875 0.000000 0.347909 B\n0.500000 0.166125 0.847909 B\n0.500000 0.833875 0.847909 B\n0.249538 0.500000 0.855219 Rh\n0.750462 0.500000 0.855219 Rh\n0.000000 0.749538 0.355219 Rh\n0.000000 0.250462 0.355219 Rh\n0.250462 0.000000 0.644781 Rh\n0.749538 0.000000 0.644781 Rh\n0.500000 0.750462 0.144781 Rh\n0.500000 0.249538 0.144781 Rh\n","nsites":18,"nelements":3,"elements":["Th","B","Rh"],"chemical_system":"B-Rh-Th","density":10.292779125538745,"density_atomic":0.08121382810621926,"volume":221.6371327362856,"volume_molar":7.415166727670643,"formula_full":"Th2 B8 Rh8","formula_reduced":"Th(BRh)4","formula_anonymous":"AB4C4","energy":-137.70495405,"energy_per_atom":-7.650275225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.70495405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.85e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:36.013000Z","spacegroup":137},{"id":"mp-1187933","created_at":"2022-09-04T14:48:23.692846Z","structure_string":"Yb2 Tl1 Zn1\n1.0\n0.000000 3.734035 3.734035\n3.734035 0.000000 3.734035\n3.734035 3.734035 0.000000\nYb Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n","nsites":4,"nelements":3,"elements":["Yb","Tl","Zn"],"chemical_system":"Tl-Yb-Zn","density":9.821427610491945,"density_atomic":0.03841446972365703,"volume":104.12742981420499,"volume_molar":15.676750982954076,"formula_full":"Yb2 Tl1 Zn1","formula_reduced":"Yb2TlZn","formula_anonymous":"ABC2","energy":-8.31424642,"energy_per_atom":-2.078561605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.31424642,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035549,"is_theoretical":true,"updated_at":"2021-11-28T01:39:01.961000Z","spacegroup":225},{"id":"mp-1247339","created_at":"2022-09-04T14:48:24.374224Z","structure_string":"Ba12 Mo8 N16\n1.0\n6.276729 0.000000 -0.000000\n0.000000 10.850269 0.000000\n-0.000000 0.000000 10.360817\nBa Mo N\n12 8 16\ndirect\n0.624985 0.158599 0.419278 Ba\n0.875015 0.841401 0.419278 Ba\n0.624985 0.341401 0.080722 Ba\n0.875015 0.658599 0.080722 Ba\n0.375015 0.841401 0.580722 Ba\n0.124985 0.158599 0.580722 Ba\n0.375015 0.658599 0.919278 Ba\n0.124985 0.341401 0.919278 Ba\n0.750000 0.500000 0.401989 Ba\n0.750000 0.000000 0.098011 Ba\n0.250000 0.500000 0.598011 Ba\n0.250000 0.000000 0.901989 Ba\n0.750000 0.500000 0.736620 Mo\n0.750000 0.000000 0.763380 Mo\n0.250000 0.500000 0.263380 Mo\n0.250000 0.000000 0.236620 Mo\n0.650877 0.250000 0.750000 Mo\n0.849123 0.750000 0.750000 Mo\n0.349123 0.750000 0.250000 Mo\n0.150877 0.250000 0.250000 Mo\n0.844304 0.351253 0.636128 N\n0.655696 0.648747 0.636128 N\n0.844304 0.148747 0.863872 N\n0.655696 0.851253 0.863872 N\n0.155696 0.648747 0.363872 N\n0.344304 0.351253 0.363872 N\n0.155696 0.851253 0.136128 N\n0.344304 0.148747 0.136128 N\n0.526868 0.411590 0.832200 N\n0.973132 0.588410 0.832200 N\n0.526868 0.088410 0.667800 N\n0.973132 0.911590 0.667800 N\n0.473132 0.588410 0.167800 N\n0.026868 0.411590 0.167800 N\n0.473132 0.911590 0.332200 N\n0.026868 0.088410 0.332200 N\n","nsites":36,"nelements":3,"elements":["Ba","Mo","N"],"chemical_system":"Ba-Mo-N","density":6.211711850798013,"density_atomic":0.051019313927449156,"volume":705.615133343286,"volume_molar":11.803649042720659,"formula_full":"Ba12 Mo8 N16","formula_reduced":"Ba3(MoN2)2","formula_anonymous":"A2B3C4","energy":-269.11880945,"energy_per_atom":-7.475522484722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.34280945,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047479,"is_theoretical":true,"updated_at":"2021-11-28T01:39:03.233000Z","spacegroup":52},{"id":"mp-1093963","created_at":"2022-09-04T14:48:24.083077Z","structure_string":"Na2 Hg1 Sb1\n1.0\n-6.068814 6.096222 8.622665\n6.068814 -6.096222 8.622665\n6.068814 6.096222 -8.622665\nNa Hg Sb\n2 1 1\ndirect\n0.240799 0.000000 0.240799 Na\n0.759201 0.000000 0.759201 Na\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n","nsites":4,"nelements":3,"elements":["Na","Hg","Sb"],"chemical_system":"Hg-Na-Sb","density":0.47931336663680835,"density_atomic":0.00313468485239465,"volume":1276.0453405529165,"volume_molar":192.11311642379496,"formula_full":"Na2 Hg1 Sb1","formula_reduced":"Na2HgSb","formula_anonymous":"ABC2","energy":-4.9271922,"energy_per_atom":-1.23179805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.7351922,"band_gap":0.0086999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000295,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.596000Z","spacegroup":71},{"id":"mp-760087","created_at":"2022-09-04T14:48:24.155614Z","structure_string":"Na5 W13 O39\n1.0\n8.719467 0.000000 0.000000\n0.000351 9.549104 0.000000\n-1.743002 -1.589714 9.254187\nNa W O\n5 13 39\ndirect\n0.653553 0.961910 0.269351 Na\n0.346447 0.038090 0.730649 Na\n0.807094 0.422792 0.038694 Na\n0.500000 0.500000 0.500000 Na\n0.192906 0.577208 0.961306 Na\n0.618192 0.847358 0.578879 W\n0.847288 0.539778 0.729472 W\n0.694045 0.075672 0.961500 W\n0.000000 0.000000 0.500000 W\n0.771317 0.306982 0.348468 W\n0.924680 0.771604 0.116639 W\n0.228683 0.693018 0.651532 W\n0.461361 0.384268 0.806904 W\n0.075320 0.228396 0.883361 W\n0.381808 0.152642 0.421121 W\n0.152712 0.460222 0.270528 W\n0.305955 0.924328 0.038500 W\n0.538639 0.615732 0.193096 W\n0.651094 0.962440 0.769267 O\n0.653723 0.461549 0.769080 O\n0.806104 0.923429 0.535926 O\n0.806430 0.923417 0.040822 O\n0.805057 0.424106 0.538367 O\n0.653862 0.461630 0.269373 O\n0.728660 0.690412 0.652337 O\n0.117635 0.847959 0.578374 O\n0.268973 0.807678 0.846044 O\n0.041277 0.114619 0.692903 O\n0.962186 0.387004 0.811350 O\n0.882365 0.152041 0.421626 O\n0.731027 0.192322 0.153956 O\n0.958723 0.885381 0.307097 O\n0.269425 0.307623 0.845947 O\n0.423285 0.769381 0.615337 O\n0.040137 0.615184 0.694747 O\n0.193896 0.076571 0.464074 O\n0.730575 0.692377 0.154053 O\n0.959863 0.384816 0.305253 O\n0.883613 0.156210 0.924052 O\n0.116387 0.843790 0.075948 O\n0.037814 0.612996 0.188650 O\n0.194943 0.575894 0.461633 O\n0.271340 0.309588 0.347663 O\n0.423103 0.769075 0.115518 O\n0.500000 0.000000 0.500000 O\n0.422976 0.269291 0.615373 O\n0.346138 0.538370 0.730627 O\n0.193570 0.076583 0.959178 O\n0.577024 0.730709 0.384627 O\n0.348906 0.037560 0.230733 O\n0.112820 0.348926 0.075286 O\n0.887180 0.651074 0.924714 O\n0.576715 0.230619 0.384663 O\n0.500000 0.000000 0.000000 O\n0.346277 0.538451 0.230920 O\n0.576897 0.230925 0.884482 O\n0.500000 0.500000 0.000000 O\n","nsites":57,"nelements":3,"elements":["Na","W","O"],"chemical_system":"Na-O-W","density":6.742832568513626,"density_atomic":0.07397483802975746,"volume":770.532271758012,"volume_molar":8.140796141490037,"formula_full":"Na5 W13 O39","formula_reduced":"Na5(WO3)13","formula_anonymous":"A5B13C39","energy":-492.8820456,"energy_per_atom":-8.647053431578948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-408.3950456,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.993705,"is_theoretical":true,"updated_at":"2021-11-28T01:39:11.579000Z","spacegroup":2},{"id":"mp-542665","created_at":"2022-09-04T14:48:24.370592Z","structure_string":"Li3 V6 O13\n1.0\n2.012289 6.010541 0.000000\n-2.012289 6.010541 0.000000\n0.000000 1.907857 10.133455\nLi V O\n3 6 13\ndirect\n0.930666 0.930666 0.412848 Li\n0.069448 0.069448 0.587177 Li\n0.999348 0.999348 0.000547 Li\n0.661833 0.661833 0.002085 V\n0.342904 0.342904 0.997535 V\n0.597809 0.597809 0.366010 V\n0.402082 0.402082 0.633426 V\n0.280111 0.280111 0.364194 V\n0.719529 0.719529 0.636442 V\n0.827033 0.827033 0.999965 O\n0.182970 0.182970 0.999725 O\n0.110832 0.110832 0.391110 O\n0.888873 0.888873 0.608822 O\n0.759023 0.759023 0.403633 O\n0.240693 0.240693 0.596361 O\n0.494722 0.494722 0.999691 O\n0.617565 0.617565 0.198060 O\n0.379972 0.379972 0.800914 O\n0.317114 0.317114 0.198876 O\n0.680779 0.680779 0.802217 O\n0.430597 0.430597 0.418700 O\n0.569331 0.569331 0.581662 O\n","nsites":22,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":3.6205642732046233,"density_atomic":0.08974933198721333,"volume":245.12717268062073,"volume_molar":6.709956081743293,"formula_full":"Li3 V6 O13","formula_reduced":"Li3V6O13","formula_anonymous":"A3B6C13","energy":-177.79221147,"energy_per_atom":-8.081464157727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.66121147,"band_gap":0.6651000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0017979,"is_theoretical":true,"updated_at":"2021-11-28T01:39:26.067000Z","spacegroup":8},{"id":"mp-1640280","created_at":"2022-09-04T14:48:24.410920Z","structure_string":"Co6 Sb2 O16\n1.0\n5.751063 -0.042589 -0.037970\n2.838473 4.981812 0.027493\n-0.060491 0.084710 9.193672\nCo Sb O\n6 2 16\ndirect\n0.347129 0.821603 0.216816 Co\n0.166860 0.666423 0.711727 Co\n0.166910 0.170883 0.712339 Co\n0.846429 0.331701 0.212582 Co\n0.662031 0.170709 0.712318 Co\n0.842945 0.826697 0.209885 Co\n0.653558 0.673055 0.495974 Sb\n0.335872 0.327384 0.986590 Sb\n0.309291 0.844521 0.602152 O\n0.172838 0.665012 0.097566 O\n0.502097 0.528239 0.338447 O\n0.486649 0.484007 0.829392 O\n0.652903 0.690306 0.110909 O\n0.331466 0.340857 0.612834 O\n0.024528 0.971321 0.306030 O\n0.998868 0.997586 0.808954 O\n0.834486 0.318921 0.598940 O\n0.673861 0.164434 0.103293 O\n0.505282 0.969178 0.341050 O\n0.034372 0.484176 0.830702 O\n0.957743 0.522470 0.343940 O\n0.486524 0.032791 0.831433 O\n0.171999 0.152579 0.098948 O\n0.835154 0.845350 0.602904 O\n","nsites":24,"nelements":3,"elements":["Co","Sb","O"],"chemical_system":"Co-O-Sb","density":5.35619660601104,"density_atomic":0.090743147783316,"volume":264.4827800916625,"volume_molar":6.636468876283822,"formula_full":"Co6 Sb2 O16","formula_reduced":"Co3SbO8","formula_anonymous":"AB3C8","energy":-160.47747393,"energy_per_atom":-6.68656141375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.65747393,"band_gap":0.2272000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9971911,"is_theoretical":true,"updated_at":"2021-11-28T01:39:42.881000Z","spacegroup":1},{"id":"mp-1184079","created_at":"2022-09-04T14:48:23.792611Z","structure_string":"Dy1 Sc1 Zn2\n1.0\n0.000000 3.469714 3.469714\n3.469714 0.000000 3.469714\n3.469714 3.469714 0.000000\nDy Sc Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n","nsites":4,"nelements":3,"elements":["Dy","Sc","Zn"],"chemical_system":"Dy-Sc-Zn","density":6.72367282383449,"density_atomic":0.04787942876695827,"volume":83.54318551854594,"volume_molar":12.577720568286932,"formula_full":"Dy1 Sc1 Zn2","formula_reduced":"DyScZn2","formula_anonymous":"ABC2","energy":-14.86851697,"energy_per_atom":-3.7171292425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.86851697,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0278899,"is_theoretical":true,"updated_at":"2021-11-28T01:39:32.549000Z","spacegroup":225},{"id":"mp-7983","created_at":"2022-09-04T14:48:23.799977Z","structure_string":"Mg2 Si1 O4\n1.0\n-1.749870 1.749870 5.366837\n1.749870 -1.749870 5.366837\n1.749870 1.749870 -5.366837\nMg Si O\n2 1 4\ndirect\n0.650146 0.650146 0.000000 Mg\n0.349854 0.349854 0.000000 Mg\n0.000000 0.000000 0.000000 Si\n0.833040 0.833040 0.000000 O\n0.166960 0.166960 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":7,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.5541187029128225,"density_atomic":0.10648981492241155,"volume":65.73398596945819,"volume_molar":5.655133088913461,"formula_full":"Mg2 Si1 O4","formula_reduced":"Mg2SiO4","formula_anonymous":"AB2C4","energy":-48.31186418,"energy_per_atom":-6.901694882857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.56386418,"band_gap":3.8497999999999992,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002058,"is_theoretical":false,"updated_at":"2021-11-28T01:39:29.645000Z","spacegroup":139},{"id":"mp-29779","created_at":"2022-09-04T14:48:23.846398Z","structure_string":"Lu6 Ni4 Ge6\n1.0\n2.078668 -5.045168 0.000000\n2.078668 5.045168 0.000000\n0.000000 0.000000 13.836367\nLu Ni Ge\n6 4 6\ndirect\n0.586654 0.413346 0.609373 Lu\n0.413346 0.586654 0.390627 Lu\n0.413346 0.586654 0.109373 Lu\n0.586654 0.413346 0.890627 Lu\n0.136078 0.863922 0.250000 Lu\n0.863922 0.136078 0.750000 Lu\n0.297845 0.702155 0.600595 Ni\n0.702155 0.297845 0.399405 Ni\n0.702155 0.297845 0.100595 Ni\n0.297845 0.702155 0.899405 Ni\n0.877647 0.122353 0.538411 Ge\n0.122353 0.877647 0.461589 Ge\n0.160146 0.839854 0.750000 Ge\n0.839854 0.160146 0.250000 Ge\n0.877647 0.122353 0.961589 Ge\n0.122353 0.877647 0.038411 Ge\n","nsites":16,"nelements":3,"elements":["Lu","Ni","Ge"],"chemical_system":"Ge-Lu-Ni","density":9.843955414295781,"density_atomic":0.0551324321035357,"volume":290.2103061579593,"volume_molar":10.923045710537036,"formula_full":"Lu6 Ni4 Ge6","formula_reduced":"Lu3Ni2Ge3","formula_anonymous":"A2B3C3","energy":-91.10053901,"energy_per_atom":-5.693783688125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.10053901,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002037,"is_theoretical":false,"updated_at":"2021-11-28T01:39:10.558000Z","spacegroup":63},{"id":"mp-1071889","created_at":"2022-09-04T14:48:23.847297Z","structure_string":"Th2 Ge2 Se2\n1.0\n-2.036811 2.036811 8.773325\n2.036811 -2.036811 8.773325\n2.036811 2.036811 -8.773325\nTh Ge Se\n2 2 2\ndirect\n0.866850 0.866850 0.000000 Th\n0.133150 0.133150 0.000000 Th\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.687296 0.687296 0.000000 Se\n0.312704 0.312704 0.000000 Se\n","nsites":6,"nelements":3,"elements":["Th","Ge","Se"],"chemical_system":"Ge-Se-Th","density":8.75135107674445,"density_atomic":0.04121217903344518,"volume":145.588031031574,"volume_molar":14.61252693072311,"formula_full":"Th2 Ge2 Se2","formula_reduced":"ThGeSe","formula_anonymous":"ABC","energy":-39.752658450000006,"energy_per_atom":-6.625443075000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.80865845,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021106,"is_theoretical":false,"updated_at":"2021-11-28T01:39:33.068000Z","spacegroup":139},{"id":"mp-1101589","created_at":"2022-09-04T14:48:23.855202Z","structure_string":"Mo4 P4 O22\n1.0\n6.437696 0.000000 0.000000\n0.013221 7.607010 0.000000\n0.026623 2.398368 8.833915\nMo P O\n4 4 22\ndirect\n0.246726 0.391400 0.704935 Mo\n0.753274 0.608600 0.295065 Mo\n0.247829 0.184175 0.139310 Mo\n0.752171 0.815825 0.860690 Mo\n0.748811 0.070014 0.116290 P\n0.748898 0.490767 0.670689 P\n0.251102 0.509233 0.329311 P\n0.251189 0.929986 0.883710 P\n0.254720 0.982365 0.037751 O\n0.240385 0.042515 0.315571 O\n0.753215 0.906416 0.251101 O\n0.745280 0.017635 0.962249 O\n0.062507 0.638741 0.304893 O\n0.758119 0.376324 0.357977 O\n0.759615 0.957485 0.684429 O\n0.246785 0.093584 0.748899 O\n0.058459 0.803177 0.892033 O\n0.443466 0.633516 0.306901 O\n0.751523 0.636736 0.520132 O\n0.248719 0.356196 0.906668 O\n0.750481 0.587847 0.804011 O\n0.751281 0.643804 0.093332 O\n0.555821 0.194610 0.115688 O\n0.937493 0.361259 0.695107 O\n0.249519 0.412153 0.195989 O\n0.556534 0.366484 0.693099 O\n0.241881 0.623676 0.642023 O\n0.248477 0.363264 0.479868 O\n0.444179 0.805390 0.884312 O\n0.941541 0.196823 0.107967 O\n","nsites":30,"nelements":3,"elements":["Mo","P","O"],"chemical_system":"Mo-O-P","density":3.299658378099443,"density_atomic":0.06934634673472229,"volume":432.6111094901955,"volume_molar":8.68414998563243,"formula_full":"Mo4 P4 O22","formula_reduced":"Mo2P2O11","formula_anonymous":"A2B2C11","energy":-241.81170443,"energy_per_atom":-8.060390147666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.88970443,"band_gap":1.9922,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046165,"is_theoretical":true,"updated_at":"2021-11-28T01:39:04.787000Z","spacegroup":2}]}