{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=69","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=67","results":[{"id":"mp-1935","created_at":"2022-09-04T14:39:09.234596Z","structure_string":"Ba4 Mg8\n1.0\n3.333021 -5.772962 0.000000\n3.333021 5.772962 0.000000\n0.000000 0.000000 10.588289\nBa Mg\n4 8\ndirect\n0.333333 0.666667 0.443115 Ba\n0.666667 0.333333 0.943115 Ba\n0.666667 0.333333 0.556885 Ba\n0.333333 0.666667 0.056885 Ba\n0.161353 0.322706 0.750000 Mg\n0.838647 0.161353 0.250000 Mg\n0.322706 0.161353 0.250000 Mg\n0.677294 0.838647 0.750000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.838647 0.677294 0.250000 Mg\n0.161353 0.838647 0.750000 Mg\n","nsites":12,"nelements":2,"elements":["Ba","Mg"],"chemical_system":"Ba-Mg","density":3.0309751611862388,"density_atomic":0.02945023163819205,"volume":407.4670837032737,"volume_molar":20.448534442731802,"formula_full":"Ba4 Mg8","formula_reduced":"BaMg2","formula_anonymous":"AB2","energy":-21.34200117,"energy_per_atom":-1.7785000975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.34200117,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.6362957,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.404000Z","spacegroup":194},{"id":"mp-752582","created_at":"2022-09-04T14:39:09.237031Z","structure_string":"Li8 V2 O8 F2\n1.0\n4.306906 3.023832 0.000000\n-4.306906 3.023832 0.000000\n0.000000 0.110082 8.970413\nLi V O F\n8 2 8 2\ndirect\n0.123854 0.362419 0.578309 Li\n0.886779 0.254580 0.251476 Li\n0.155546 0.531964 0.958196 Li\n0.531964 0.155546 0.458196 Li\n0.362419 0.123854 0.078309 Li\n0.741624 0.943226 0.964527 Li\n0.254580 0.886779 0.751476 Li\n0.943226 0.741624 0.464527 Li\n0.641470 0.461312 0.772325 V\n0.461312 0.641470 0.272325 V\n0.700614 0.901242 0.368174 O\n0.415846 0.766108 0.097711 O\n0.358008 0.560111 0.753847 O\n0.157207 0.536855 0.371607 O\n0.766108 0.415846 0.597711 O\n0.560111 0.358008 0.253847 O\n0.901242 0.700614 0.868174 O\n0.536855 0.157207 0.871607 O\n0.030345 0.197741 0.065547 F\n0.197741 0.030345 0.565547 F\n","nsites":20,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.298410855741165,"density_atomic":0.08559817582678247,"volume":233.64983899274029,"volume_molar":7.035361094828094,"formula_full":"Li8 V2 O8 F2","formula_reduced":"Li4VO4F","formula_anonymous":"ABC4D4","energy":-128.97053189,"energy_per_atom":-6.4485265945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.15053189,"band_gap":3.8303,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.411000Z","spacegroup":9},{"id":"mp-1112542","created_at":"2022-09-04T14:39:09.243236Z","structure_string":"Cs2 Tl2 I6\n1.0\n0.000000 6.315359 6.315359\n6.315359 0.000000 6.315359\n6.315359 6.315359 0.000000\nCs Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757619 0.242381 0.242381 I\n0.242381 0.242381 0.757619 I\n0.242381 0.757619 0.757619 I\n0.242381 0.757619 0.242381 I\n0.757619 0.242381 0.757619 I\n0.757619 0.757619 0.242381 I\n","nsites":10,"nelements":3,"elements":["Cs","Tl","I"],"chemical_system":"Cs-I-Tl","density":4.7334818856371115,"density_atomic":0.019850702214207264,"volume":503.7605164840436,"volume_molar":30.337167395972106,"formula_full":"Cs2 Tl2 I6","formula_reduced":"CsTlI3","formula_anonymous":"ABC3","energy":-26.47737672,"energy_per_atom":-2.647737672,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.20337672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013967,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.167000Z","spacegroup":225},{"id":"mp-1196647","created_at":"2022-09-04T14:39:09.244674Z","structure_string":"Nd26 Mg4 Si8 B16 O86\n1.0\n16.097783 0.000000 0.000000\n0.000000 9.322977 0.000000\n0.000000 3.328616 11.454477\nNd Mg Si B O\n26 4 8 16 86\ndirect\n0.627073 0.321410 0.637994 Nd\n0.127073 0.678590 0.362006 Nd\n0.372927 0.678590 0.362006 Nd\n0.872927 0.321410 0.637994 Nd\n0.369328 0.822048 0.644494 Nd\n0.869328 0.177952 0.355506 Nd\n0.630672 0.177952 0.355506 Nd\n0.130672 0.822048 0.644494 Nd\n0.250000 0.053717 0.361973 Nd\n0.750000 0.946283 0.638027 Nd\n0.250000 0.461423 0.651586 Nd\n0.750000 0.538577 0.348414 Nd\n0.421766 0.142219 0.800437 Nd\n0.921766 0.857781 0.199563 Nd\n0.578234 0.857781 0.199563 Nd\n0.078234 0.142219 0.800437 Nd\n0.413648 0.358868 0.217273 Nd\n0.913648 0.641132 0.782727 Nd\n0.586352 0.641132 0.782727 Nd\n0.086352 0.358868 0.217273 Nd\n0.393261 0.739387 0.003316 Nd\n0.893261 0.260613 0.996684 Nd\n0.606739 0.260613 0.996684 Nd\n0.106739 0.739387 0.003316 Nd\n0.250000 0.271830 0.012260 Nd\n0.750000 0.728170 0.987740 Nd\n0.417311 0.245719 0.508842 Mg\n0.917311 0.754281 0.491158 Mg\n0.582689 0.754281 0.491158 Mg\n0.082689 0.245719 0.508842 Mg\n0.404527 0.042233 0.114325 Si\n0.904527 0.957767 0.885675 Si\n0.595473 0.957767 0.885675 Si\n0.095473 0.042233 0.114325 Si\n0.410572 0.464711 0.879471 Si\n0.910572 0.535289 0.120529 Si\n0.589428 0.535289 0.120529 Si\n0.089428 0.464711 0.879471 Si\n0.532791 0.990553 0.610084 B\n0.032791 0.009447 0.389916 B\n0.467209 0.009447 0.389916 B\n0.967209 0.990553 0.610084 B\n0.467429 0.492356 0.610138 B\n0.967429 0.507644 0.389862 B\n0.532571 0.507644 0.389862 B\n0.032571 0.492356 0.610138 B\n0.250000 0.142128 0.621048 B\n0.750000 0.857872 0.378952 B\n0.250000 0.870055 0.858161 B\n0.750000 0.129945 0.141839 B\n0.250000 0.528325 0.182782 B\n0.750000 0.471675 0.817218 B\n0.250000 0.350886 0.404565 B\n0.750000 0.649114 0.595435 B\n0.416797 0.861121 0.173954 O\n0.916797 0.138879 0.826046 O\n0.583203 0.138879 0.826046 O\n0.083203 0.861121 0.173954 O\n0.472025 0.160497 0.380435 O\n0.972025 0.839503 0.619565 O\n0.527975 0.839503 0.619565 O\n0.027975 0.160497 0.380435 O\n0.396147 0.924734 0.426239 O\n0.896147 0.075266 0.573761 O\n0.603853 0.075266 0.573761 O\n0.103853 0.924734 0.426239 O\n0.427787 0.645004 0.820617 O\n0.927787 0.354996 0.179383 O\n0.572213 0.354996 0.179383 O\n0.072213 0.645004 0.820617 O\n0.327216 0.919795 0.810879 O\n0.827216 0.080205 0.189121 O\n0.672784 0.080205 0.189121 O\n0.172784 0.919795 0.810879 O\n0.471622 0.338553 0.629990 O\n0.971622 0.661447 0.370010 O\n0.528378 0.661447 0.370010 O\n0.028378 0.338553 0.629990 O\n0.604499 0.424201 0.420306 O\n0.104499 0.575799 0.579694 O\n0.395501 0.575799 0.579694 O\n0.895501 0.424201 0.420306 O\n0.455597 0.443599 0.383472 O\n0.955597 0.556401 0.616528 O\n0.544403 0.556401 0.616528 O\n0.044403 0.443599 0.383472 O\n0.250000 0.019197 0.576272 O\n0.750000 0.980803 0.423728 O\n0.458758 0.053380 0.633129 O\n0.958758 0.946620 0.366871 O\n0.541242 0.946620 0.366871 O\n0.041242 0.053380 0.633129 O\n0.347301 0.131985 0.188798 O\n0.847301 0.868015 0.811202 O\n0.652699 0.868015 0.811202 O\n0.152699 0.131985 0.188798 O\n0.322034 0.214183 0.639197 O\n0.822034 0.785817 0.360803 O\n0.677966 0.785817 0.360803 O\n0.177966 0.214183 0.639197 O\n0.673693 0.409596 0.804636 O\n0.173693 0.590404 0.195364 O\n0.326307 0.590404 0.195364 O\n0.826307 0.409596 0.804636 O\n0.339641 0.374567 0.824703 O\n0.839641 0.625433 0.175297 O\n0.660359 0.625433 0.175297 O\n0.160359 0.374567 0.824703 O\n0.250000 0.483545 0.434643 O\n0.750000 0.516455 0.565357 O\n0.322185 0.277038 0.389981 O\n0.822185 0.722962 0.610019 O\n0.677815 0.722962 0.610019 O\n0.177815 0.277038 0.389981 O\n0.377842 0.451334 0.012524 O\n0.877842 0.548666 0.987476 O\n0.622158 0.548666 0.987476 O\n0.122158 0.451334 0.012524 O\n0.499778 0.384797 0.871876 O\n0.999778 0.615203 0.128124 O\n0.500222 0.615203 0.128124 O\n0.000222 0.384797 0.871876 O\n0.500978 0.102789 0.099346 O\n0.000978 0.897211 0.900654 O\n0.499022 0.897211 0.900654 O\n0.999022 0.102789 0.099346 O\n0.250000 0.820333 0.320000 O\n0.750000 0.179667 0.680000 O\n0.250000 0.687833 0.687113 O\n0.750000 0.312167 0.312887 O\n0.250000 0.387762 0.166126 O\n0.750000 0.612238 0.833874 O\n0.355150 0.077061 0.988844 O\n0.855150 0.922939 0.011156 O\n0.644850 0.922939 0.011156 O\n0.144850 0.077061 0.988844 O\n0.250000 0.758197 0.963944 O\n0.750000 0.241803 0.036056 O\n0.750000 0.227647 0.546574 O\n0.250000 0.772353 0.453426 O\n","nsites":140,"nelements":5,"elements":["Nd","Mg","Si","B","O"],"chemical_system":"B-Mg-Nd-O-Si","density":5.429702553759078,"density_atomic":0.08143893574127309,"volume":1719.0794394068719,"volume_molar":7.394670258378623,"formula_full":"Nd26 Mg4 Si8 B16 O86","formula_reduced":"Nd13Mg2Si4B8O43","formula_anonymous":"A2B4C8D13E43","energy":-1169.29291509,"energy_per_atom":-8.352092250642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1129.30291509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.8006902,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.915000Z","spacegroup":11},{"id":"mp-691","created_at":"2022-09-04T14:39:09.249306Z","structure_string":"Sn4 Se4\n1.0\n4.219403 0.000000 0.000000\n0.000000 4.524019 0.000000\n0.000000 0.000000 11.789801\nSn Se\n4 4\ndirect\n0.250000 0.400280 0.621878 Sn\n0.750000 0.599720 0.378122 Sn\n0.750000 0.900280 0.878122 Sn\n0.250000 0.099720 0.121878 Sn\n0.250000 0.014384 0.355145 Se\n0.750000 0.985616 0.644855 Se\n0.750000 0.514384 0.144855 Se\n0.250000 0.485616 0.855145 Se\n","nsites":8,"nelements":2,"elements":["Sn","Se"],"chemical_system":"Se-Sn","density":5.834020472859625,"density_atomic":0.035547419938709704,"volume":225.05149498313725,"volume_molar":16.94114726296108,"formula_full":"Sn4 Se4","formula_reduced":"SnSe","formula_anonymous":"AB","energy":-35.37033107,"energy_per_atom":-4.42129138375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.48233107,"band_gap":0.4719999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045527,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.381000Z","spacegroup":62},{"id":"mp-40685","created_at":"2022-09-04T14:39:08.199659Z","structure_string":"Na2 Sm6 Ti4 Sb4 O28\n1.0\n7.347890 0.000000 0.000000\n0.000000 7.386865 0.000000\n0.000000 7.320640 10.413998\nNa Sm Ti Sb O\n2 6 4 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.227785 0.500000 0.750000 Sm\n0.243034 0.000000 0.750000 Sm\n0.772215 0.500000 0.250000 Sm\n0.500000 0.000000 0.500000 Sm\n0.756966 0.000000 0.250000 Sm\n0.500000 0.000000 0.000000 Sm\n0.262861 0.500000 0.250000 Ti\n0.500000 0.500000 0.000000 Ti\n0.737139 0.500000 0.750000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Sb\n0.744925 0.000000 0.750000 Sb\n0.000000 0.500000 0.000000 Sb\n0.255075 0.000000 0.250000 Sb\n0.052914 0.556702 0.131653 O\n0.744286 0.130749 0.370950 O\n0.268971 0.179519 0.320888 O\n0.046872 0.171421 0.128313 O\n0.046872 0.828579 0.371687 O\n0.947086 0.556702 0.631653 O\n0.552954 0.573284 0.621985 O\n0.749833 0.576699 0.423079 O\n0.255714 0.130749 0.870950 O\n0.250167 0.423301 0.576921 O\n0.731029 0.179519 0.820888 O\n0.953128 0.171421 0.628313 O\n0.052914 0.443298 0.368347 O\n0.544948 0.176766 0.622741 O\n0.544948 0.823234 0.877259 O\n0.953128 0.828579 0.871687 O\n0.447046 0.573284 0.121985 O\n0.731029 0.820481 0.679112 O\n0.255714 0.869251 0.629050 O\n0.749833 0.423301 0.076921 O\n0.250167 0.576699 0.923079 O\n0.947086 0.443298 0.868347 O\n0.552954 0.426716 0.878015 O\n0.455052 0.176766 0.122741 O\n0.455052 0.823234 0.377259 O\n0.268971 0.820481 0.179112 O\n0.744286 0.869251 0.129050 O\n0.447046 0.426716 0.378015 O\n","nsites":44,"nelements":5,"elements":["Na","Sm","Ti","Sb","O"],"chemical_system":"Na-O-Sb-Sm-Ti","density":6.094661750533778,"density_atomic":0.07784171188537924,"volume":565.249644879205,"volume_molar":7.736393013642241,"formula_full":"Na2 Sm6 Ti4 Sb4 O28","formula_reduced":"NaSm3Ti2(SbO7)2","formula_anonymous":"AB2C2D3E14","energy":-354.85000449999995,"energy_per_atom":-8.064772829545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.6140045,"band_gap":2.0649,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0033212,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.284000Z","spacegroup":13},{"id":"mp-20083","created_at":"2022-09-04T14:39:09.255767Z","structure_string":"Sc4 Cu4 Si4\n1.0\n3.975532 0.000000 0.000000\n0.000000 6.557102 0.000000\n0.000000 0.000000 7.237398\nSc Cu Si\n4 4 4\ndirect\n0.750000 0.990762 0.194680 Sc\n0.250000 0.509238 0.694680 Sc\n0.750000 0.490762 0.305320 Sc\n0.250000 0.009238 0.805320 Sc\n0.250000 0.657408 0.066331 Cu\n0.250000 0.157408 0.433669 Cu\n0.750000 0.842592 0.566331 Cu\n0.750000 0.342592 0.933669 Cu\n0.250000 0.271304 0.109216 Si\n0.250000 0.771304 0.390784 Si\n0.750000 0.728696 0.890784 Si\n0.750000 0.228696 0.609216 Si\n","nsites":12,"nelements":3,"elements":["Sc","Cu","Si"],"chemical_system":"Cu-Sc-Si","density":4.808726932505082,"density_atomic":0.06360504979907558,"volume":188.6642654617402,"volume_molar":9.468023024938383,"formula_full":"Sc4 Cu4 Si4","formula_reduced":"ScCuSi","formula_anonymous":"ABC","energy":-71.05741144,"energy_per_atom":-5.921450953333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.34141144,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001814,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.404000Z","spacegroup":62},{"id":"mp-867771","created_at":"2022-09-04T14:39:07.039170Z","structure_string":"Ta1 Cu1 Rh2\n1.0\n0.000000 3.078183 3.078183\n3.078183 0.000000 3.078183\n3.078183 3.078183 0.000000\nTa Cu Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n","nsites":4,"nelements":3,"elements":["Ta","Cu","Rh"],"chemical_system":"Cu-Rh-Ta","density":12.818654707261496,"density_atomic":0.06857197996845384,"volume":58.33286426671912,"volume_molar":8.782217988703918,"formula_full":"Ta1 Cu1 Rh2","formula_reduced":"TaCuRh2","formula_anonymous":"ABC2","energy":-32.45097387,"energy_per_atom":-8.1127434675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.45097387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.905000Z","spacegroup":225},{"id":"mp-1017091","created_at":"2022-09-04T14:39:09.263303Z","structure_string":"Rb2 Mg12 Cd2\n1.0\n5.411857 0.000000 0.000000\n0.000000 6.909162 0.000000\n0.000000 0.000000 11.796745\nRb Mg Cd\n2 12 2\ndirect\n0.000000 0.000000 0.168156 Rb\n0.000000 0.500000 0.668156 Rb\n0.000000 0.245426 0.418604 Mg\n0.000000 0.754574 0.418604 Mg\n0.000000 0.000000 0.662163 Mg\n0.500000 0.227266 0.574989 Mg\n0.500000 0.772734 0.574989 Mg\n0.500000 0.000000 0.833406 Mg\n0.000000 0.745426 0.918604 Mg\n0.000000 0.254574 0.918604 Mg\n0.000000 0.500000 0.162163 Mg\n0.500000 0.727266 0.074989 Mg\n0.500000 0.272734 0.074989 Mg\n0.500000 0.500000 0.333406 Mg\n0.500000 0.000000 0.349089 Cd\n0.500000 0.500000 0.849089 Cd\n","nsites":16,"nelements":3,"elements":["Rb","Mg","Cd"],"chemical_system":"Cd-Mg-Rb","density":2.587830723618571,"density_atomic":0.03627321939052893,"volume":441.09677246287265,"volume_molar":16.602167828456942,"formula_full":"Rb2 Mg12 Cd2","formula_reduced":"RbMg6Cd","formula_anonymous":"ABC6","energy":-19.83819844,"energy_per_atom":-1.2398874025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.83819844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014932,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.533000Z","spacegroup":38},{"id":"mp-1195433","created_at":"2022-09-04T14:39:09.266206Z","structure_string":"K16 Ge4 P16 Se48\n1.0\n7.407281 0.000000 0.000000\n0.000000 14.310390 0.000000\n0.000000 0.000000 24.536167\nK Ge P Se\n16 4 16 48\ndirect\n0.697160 0.525939 0.936104 K\n0.302840 0.474061 0.436104 K\n0.697160 0.974061 0.436104 K\n0.302840 0.025939 0.936104 K\n0.818419 0.875664 0.840645 K\n0.181581 0.124336 0.340645 K\n0.818419 0.624336 0.340645 K\n0.181581 0.375664 0.840645 K\n0.827620 0.175350 0.718433 K\n0.172380 0.824650 0.218433 K\n0.827620 0.324650 0.218433 K\n0.172380 0.675350 0.718433 K\n0.800325 0.336042 0.560272 K\n0.199675 0.663958 0.060272 K\n0.800325 0.163958 0.060272 K\n0.199675 0.836042 0.560272 K\n0.656465 0.580081 0.631778 Ge\n0.343535 0.419919 0.131778 Ge\n0.656465 0.919919 0.131778 Ge\n0.343535 0.080081 0.631778 Ge\n0.687060 0.593910 0.780464 P\n0.312940 0.406090 0.280464 P\n0.687060 0.906090 0.280464 P\n0.312940 0.093910 0.780464 P\n0.250953 0.948017 0.744522 P\n0.749047 0.051983 0.244522 P\n0.250953 0.551983 0.244522 P\n0.749047 0.448017 0.744522 P\n0.865538 0.606966 0.500158 P\n0.134462 0.393034 0.000158 P\n0.865538 0.893034 0.000158 P\n0.134462 0.106966 0.500158 P\n0.639434 0.713744 0.514576 P\n0.360566 0.286256 0.014576 P\n0.639434 0.786256 0.014576 P\n0.360566 0.213744 0.514576 P\n0.426888 0.589142 0.819215 Se\n0.573112 0.410858 0.319215 Se\n0.426888 0.910858 0.319215 Se\n0.573112 0.089142 0.819215 Se\n0.916849 0.633242 0.829661 Se\n0.083151 0.366758 0.329661 Se\n0.916849 0.866758 0.329661 Se\n0.083151 0.133242 0.829661 Se\n0.687011 0.693288 0.703818 Se\n0.312989 0.306712 0.203818 Se\n0.687011 0.806712 0.203818 Se\n0.312989 0.193288 0.703818 Se\n0.321574 0.846129 0.804954 Se\n0.678426 0.153871 0.304954 Se\n0.321574 0.653871 0.304954 Se\n0.678426 0.346129 0.804954 Se\n0.981756 0.940212 0.709855 Se\n0.018244 0.059788 0.209855 Se\n0.981756 0.559788 0.209855 Se\n0.018244 0.440212 0.709855 Se\n0.459320 0.940193 0.673661 Se\n0.540680 0.059807 0.173661 Se\n0.459320 0.559807 0.173661 Se\n0.540680 0.440193 0.673661 Se\n0.948634 0.563808 0.588595 Se\n0.051366 0.436192 0.088595 Se\n0.948634 0.936192 0.088595 Se\n0.051366 0.063808 0.588595 Se\n0.768577 0.014225 0.956180 Se\n0.231423 0.985775 0.456180 Se\n0.768577 0.485775 0.456180 Se\n0.231423 0.514225 0.956180 Se\n0.909387 0.318762 0.963791 Se\n0.090613 0.681238 0.463791 Se\n0.909387 0.181238 0.463791 Se\n0.090613 0.818762 0.963791 Se\n0.436186 0.618220 0.563372 Se\n0.563814 0.381780 0.063372 Se\n0.436186 0.881780 0.063372 Se\n0.563814 0.118220 0.563372 Se\n0.527245 0.750789 0.936835 Se\n0.472755 0.249211 0.436835 Se\n0.527245 0.749211 0.436835 Se\n0.472755 0.250789 0.936835 Se\n0.728917 0.825455 0.567751 Se\n0.271083 0.174545 0.067751 Se\n0.728917 0.674545 0.067751 Se\n0.271083 0.325455 0.567751 Se\n","nsites":84,"nelements":4,"elements":["K","Ge","P","Se"],"chemical_system":"Ge-K-P-Se","density":3.32112448034243,"density_atomic":0.03229700696934833,"volume":2600.8601998234917,"volume_molar":18.646126452879518,"formula_full":"K16 Ge4 P16 Se48","formula_reduced":"K4Ge(PSe3)4","formula_anonymous":"AB4C4D12","energy":-357.59170444,"energy_per_atom":-4.2570441004761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.93570444,"band_gap":1.3986,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0125756,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.235000Z","spacegroup":29},{"id":"mp-1093954","created_at":"2022-09-04T14:39:07.439799Z","structure_string":"Be2 Pd1 Au1\n1.0\n-4.300719 4.829146 6.828021\n4.300719 -4.829146 6.828021\n4.300719 4.829146 -6.828021\nBe Pd Au\n2 1 1\ndirect\n0.000000 0.243590 0.243590 Be\n0.000000 0.756410 0.756410 Be\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Be","Pd","Au"],"chemical_system":"Au-Be-Pd","density":0.9409000686705409,"density_atomic":0.007051698713168283,"volume":567.2392089767582,"volume_molar":85.39985902622733,"formula_full":"Be2 Pd1 Au1","formula_reduced":"Be2PdAu","formula_anonymous":"ABC2","energy":-9.54872554,"energy_per_atom":-2.387181385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.54872554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.59e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.719000Z","spacegroup":71},{"id":"mp-560254","created_at":"2022-09-04T14:39:11.485661Z","structure_string":"Rb4 H12 W4 O28\n1.0\n6.541848 0.000000 0.000000\n-2.102857 8.013776 0.000000\n-0.647565 -3.931944 12.029665\nRb H W O\n4 12 4 28\ndirect\n0.216001 0.242519 0.860700 Rb\n0.098629 0.262494 0.539111 Rb\n0.783999 0.757481 0.139300 Rb\n0.901371 0.737506 0.460889 Rb\n0.397530 0.006910 0.082222 H\n0.603380 0.574817 0.666843 H\n0.362089 0.691318 0.275316 H\n0.673100 0.491428 0.812590 H\n0.326900 0.508572 0.187410 H\n0.781096 0.749551 0.728060 H\n0.602470 0.993090 0.917778 H\n0.218904 0.250449 0.271940 H\n0.637911 0.308682 0.724684 H\n0.164562 0.022921 0.065523 H\n0.396620 0.425183 0.333157 H\n0.835438 0.977079 0.934477 H\n0.184327 0.707063 0.875416 W\n0.560514 0.125030 0.342411 W\n0.439486 0.874970 0.657589 W\n0.815673 0.292937 0.124584 W\n0.762218 0.363651 0.411673 O\n0.573899 0.325798 0.040565 O\n0.783546 0.397616 0.004339 O\n0.714467 0.059172 0.731070 O\n0.643790 0.292589 0.494476 O\n0.356210 0.707411 0.505524 O\n0.334605 0.304853 0.336728 O\n0.237782 0.636349 0.588327 O\n0.113515 0.299516 0.090269 O\n0.573283 0.405476 0.748436 O\n0.266110 0.963740 0.027271 O\n0.426717 0.594524 0.251564 O\n0.665395 0.695147 0.663272 O\n0.887122 0.486946 0.238101 O\n0.734725 0.994186 0.349064 O\n0.305211 0.996982 0.393578 O\n0.112878 0.513054 0.761899 O\n0.610590 0.142476 0.190268 O\n0.285533 0.940828 0.268930 O\n0.265275 0.005814 0.650936 O\n0.694789 0.003018 0.606422 O\n0.216454 0.602384 0.995661 O\n0.733890 0.036260 0.972729 O\n0.957625 0.827074 0.845608 O\n0.886485 0.700484 0.909731 O\n0.389410 0.857524 0.809732 O\n0.042375 0.172926 0.154392 O\n0.426101 0.674202 0.959435 O\n","nsites":48,"nelements":4,"elements":["Rb","H","W","O"],"chemical_system":"H-O-Rb-W","density":4.047802161208972,"density_atomic":0.07611146056200713,"volume":630.6540387685105,"volume_molar":7.91226540068014,"formula_full":"Rb4 H12 W4 O28","formula_reduced":"RbH3WO7","formula_anonymous":"ABC3D7","energy":-307.00308402,"energy_per_atom":-6.39589758375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.01508402,"band_gap":3.1943,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.25e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.304000Z","spacegroup":2}]}