{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10132","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10130","results":[{"id":"mp-1095722","created_at":"2022-09-04T14:42:54.142147Z","structure_string":"Be1 B1 Ir2\n1.0\n-4.138199 4.651378 6.577421\n4.138199 -4.651378 6.577421\n4.138199 4.651378 -6.577421\nBe B Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 B\n0.000000 0.269763 0.269763 Ir\n0.000000 0.730237 0.730237 Ir\n","nsites":4,"nelements":3,"elements":["Be","B","Ir"],"chemical_system":"B-Be-Ir","density":1.3255563789557248,"density_atomic":0.007898622419176635,"volume":506.4174216365398,"volume_molar":76.24292491028781,"formula_full":"Be1 B1 Ir2","formula_reduced":"BeBIr2","formula_anonymous":"ABC2","energy":-16.25383162,"energy_per_atom":-4.063457905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.25383162,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9998288,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.518000Z","spacegroup":71},{"id":"mp-1518887","created_at":"2022-09-04T14:42:54.117102Z","structure_string":"Sr2 Ca2 La2 Bi2 O12\n1.0\n5.977058 0.000000 -0.000000\n0.000000 5.977058 0.000000\n-0.000000 0.000000 8.636553\nSr Ca La Bi O\n2 2 2 2 12\ndirect\n0.500000 0.000000 0.250000 Sr\n0.000000 0.500000 0.750000 Sr\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.500000 0.250000 La\n0.500000 0.000000 0.750000 La\n0.000000 -0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.243642 O\n0.500000 0.500000 0.256358 O\n0.000000 0.000000 0.756358 O\n0.500000 0.500000 0.743642 O\n0.320007 0.157018 0.986623 O\n0.679993 0.842982 0.986623 O\n0.842982 0.320007 0.013377 O\n0.157018 0.679993 0.013377 O\n0.820007 0.342982 0.486623 O\n0.179993 0.657018 0.486623 O\n0.342982 0.179993 0.513377 O\n0.657018 0.820007 0.513377 O\n","nsites":20,"nelements":5,"elements":["Sr","Ca","La","Bi","O"],"chemical_system":"Bi-Ca-La-O-Sr","density":6.152348662435964,"density_atomic":0.06482083376074352,"volume":308.54277613615494,"volume_molar":9.290440141865469,"formula_full":"Sr2 Ca2 La2 Bi2 O12","formula_reduced":"SrCaLaBiO6","formula_anonymous":"ABCDE6","energy":-139.31621875,"energy_per_atom":-6.9658109375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.07221875,"band_gap":2.0322,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.472000Z","spacegroup":118},{"id":"mp-556399","created_at":"2022-09-04T14:42:54.122181Z","structure_string":"La4 Ti4 I20 O64\n1.0\n18.242493 0.000000 0.000000\n0.000000 7.524046 0.000000\n0.000000 7.216284 10.645719\nLa Ti I O\n4 4 20 64\ndirect\n0.233220 0.982996 0.258799 La\n0.266780 0.982996 0.758799 La\n0.766780 0.017004 0.741201 La\n0.733220 0.017004 0.241201 La\n0.501701 0.498657 0.765735 Ti\n0.001701 0.501343 0.734265 Ti\n0.998299 0.498657 0.265735 Ti\n0.498299 0.501343 0.234265 Ti\n0.622034 0.473315 0.432969 I\n0.368165 0.117678 0.449319 I\n0.505334 0.989999 0.246882 I\n0.877966 0.473315 0.932969 I\n0.679829 0.324113 0.900932 I\n0.663747 0.666602 0.062910 I\n0.994666 0.989999 0.746882 I\n0.377966 0.526685 0.567031 I\n0.336253 0.333398 0.937090 I\n0.179829 0.675887 0.599068 I\n0.320171 0.675887 0.099068 I\n0.122034 0.526685 0.067031 I\n0.494666 0.010001 0.753118 I\n0.820171 0.324113 0.400932 I\n0.836253 0.666602 0.562910 I\n0.005334 0.010001 0.253118 I\n0.163747 0.333398 0.437090 I\n0.131835 0.117678 0.949319 I\n0.631835 0.882322 0.550681 I\n0.868165 0.882322 0.050681 I\n0.200386 0.203999 0.019391 O\n0.417210 0.697335 0.139089 O\n0.587215 0.351078 0.350371 O\n0.096875 0.998795 0.198298 O\n0.912785 0.351078 0.850371 O\n0.168927 0.596828 0.414614 O\n0.700386 0.796001 0.480609 O\n0.305196 0.737252 0.479826 O\n0.194804 0.737252 0.979826 O\n0.176070 0.944112 0.451506 O\n0.226274 0.729336 0.704375 O\n0.299614 0.203999 0.519391 O\n0.403125 0.998795 0.698298 O\n0.694804 0.262748 0.520174 O\n0.726274 0.270664 0.795625 O\n0.323930 0.944112 0.951506 O\n0.582790 0.302665 0.860911 O\n0.182982 0.212457 0.805443 O\n0.948188 0.103381 0.114813 O\n0.069735 0.349850 0.890645 O\n0.087215 0.648922 0.149629 O\n0.512628 0.702096 0.792515 O\n0.936054 0.682657 0.587528 O\n0.823930 0.055888 0.548494 O\n0.185767 0.340409 0.191027 O\n0.987372 0.702096 0.292515 O\n0.668927 0.403172 0.085386 O\n0.524129 0.691285 0.302668 O\n0.331073 0.596828 0.914614 O\n0.024129 0.308715 0.197332 O\n0.317018 0.212457 0.305443 O\n0.563946 0.682657 0.087528 O\n0.831073 0.403172 0.585386 O\n0.341506 0.164049 0.107773 O\n0.487372 0.297904 0.207485 O\n0.012628 0.297904 0.707485 O\n0.930265 0.650150 0.109355 O\n0.676070 0.055888 0.048494 O\n0.975871 0.691285 0.802668 O\n0.158494 0.164049 0.607773 O\n0.917210 0.302665 0.360911 O\n0.082790 0.697335 0.639089 O\n0.551812 0.103381 0.614813 O\n0.841506 0.835951 0.392227 O\n0.814233 0.659591 0.808973 O\n0.430265 0.349850 0.390645 O\n0.475871 0.308715 0.697332 O\n0.685767 0.659591 0.308973 O\n0.412785 0.648922 0.649629 O\n0.436054 0.317343 0.912472 O\n0.569735 0.650150 0.609355 O\n0.063946 0.317343 0.412472 O\n0.051812 0.896619 0.885187 O\n0.903125 0.001205 0.801702 O\n0.773726 0.270664 0.295625 O\n0.314233 0.340409 0.691027 O\n0.596875 0.001205 0.301702 O\n0.273726 0.729336 0.204375 O\n0.805196 0.262748 0.020174 O\n0.448188 0.896619 0.385187 O\n0.799614 0.796001 0.980609 O\n0.658494 0.835951 0.892227 O\n0.817018 0.787543 0.194557 O\n0.682982 0.787543 0.694557 O\n","nsites":92,"nelements":4,"elements":["La","Ti","I","O"],"chemical_system":"I-La-O-Ti","density":4.8969893718075115,"density_atomic":0.0629618091364069,"volume":1461.203247840001,"volume_molar":9.564751779849622,"formula_full":"La4 Ti4 I20 O64","formula_reduced":"LaTiI5O16","formula_anonymous":"ABC5D16","energy":-540.53299199,"energy_per_atom":-5.875358608586957,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-496.56499199000007,"band_gap":2.6177,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041504,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.156000Z","spacegroup":14},{"id":"mp-1228311","created_at":"2022-09-04T14:42:54.121620Z","structure_string":"Ba4 Tl4 Cu2 O11\n1.0\n0.000000 5.563771 0.000000\n5.628430 0.000000 0.020678\n-0.043376 2.781885 -11.865579\nBa Tl Cu O\n4 4 2 11\ndirect\n0.916210 0.500453 0.167580 Ba\n0.077604 0.498354 0.844791 Ba\n0.580790 0.998783 0.838420 Ba\n0.416911 0.000431 0.166178 Ba\n0.292894 0.504975 0.414211 Tl\n0.704530 0.512482 0.590939 Tl\n0.204752 0.982352 0.590495 Tl\n0.798707 0.015751 0.402585 Tl\n0.497902 0.500222 0.004197 Cu\n0.999653 0.999781 0.000694 Cu\n0.383768 0.504713 0.232463 O\n0.619262 0.496971 0.761476 O\n0.119168 0.996781 0.761664 O\n0.884102 0.994791 0.231795 O\n0.250341 0.250227 0.998520 O\n0.250541 0.749978 0.998449 O\n0.751010 0.749978 0.998449 O\n0.751138 0.250227 0.998520 O\n0.790028 0.436588 0.419945 O\n0.290116 0.052936 0.419767 O\n0.711770 0.942225 0.576460 O\n","nsites":21,"nelements":4,"elements":["Ba","Tl","Cu","O"],"chemical_system":"Ba-Cu-O-Tl","density":7.462886933041298,"density_atomic":0.056517074920998445,"volume":371.56912365607275,"volume_molar":10.655436022508171,"formula_full":"Ba4 Tl4 Cu2 O11","formula_reduced":"Ba4Tl4Cu2O11","formula_anonymous":"A2B4C4D11","energy":-116.27032878,"energy_per_atom":-5.536682322857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.71332878,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0014584,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.173000Z","spacegroup":8},{"id":"mp-775341","created_at":"2022-09-04T14:42:54.126281Z","structure_string":"Na16 Cr4 H32 S4 O28\n1.0\n13.866211 0.000000 0.000000\n0.000000 5.831408 0.000000\n0.000000 2.684101 10.942997\nNa Cr H S O\n16 4 32 4 28\ndirect\n0.684554 0.990705 0.763480 Na\n0.055746 0.749579 0.995098 Na\n0.297878 0.753514 0.975037 Na\n0.815446 0.990705 0.263480 Na\n0.444254 0.749579 0.495098 Na\n0.202122 0.753514 0.475037 Na\n0.793110 0.498544 0.777353 Na\n0.293110 0.501456 0.722647 Na\n0.706890 0.498544 0.277353 Na\n0.206890 0.501456 0.222647 Na\n0.797878 0.246486 0.524963 Na\n0.555746 0.250421 0.504902 Na\n0.184554 0.009295 0.736520 Na\n0.702122 0.246486 0.024963 Na\n0.944254 0.250421 0.004902 Na\n0.315446 0.009295 0.236520 Na\n0.686263 0.750568 0.516335 Cr\n0.813737 0.750568 0.016335 Cr\n0.186263 0.249432 0.983665 Cr\n0.313737 0.249432 0.483665 Cr\n0.356962 0.900848 0.661241 H\n0.463512 0.773840 0.853151 H\n0.923197 0.761144 0.828923 H\n0.850812 0.839058 0.612856 H\n0.642649 0.673677 0.948164 H\n0.551917 0.749913 0.682098 H\n0.122227 0.573908 0.815776 H\n0.143038 0.900848 0.161241 H\n0.036488 0.773840 0.353151 H\n0.576803 0.761144 0.328923 H\n0.649188 0.839058 0.112856 H\n0.464076 0.491577 0.862786 H\n0.857351 0.673677 0.448164 H\n0.948083 0.749913 0.182098 H\n0.964076 0.508423 0.637214 H\n0.622227 0.426092 0.684224 H\n0.377773 0.573908 0.315776 H\n0.035924 0.491577 0.362786 H\n0.051917 0.250087 0.817902 H\n0.142649 0.326323 0.551836 H\n0.535924 0.508423 0.137214 H\n0.350812 0.160942 0.887144 H\n0.423197 0.238856 0.671077 H\n0.963512 0.226160 0.646849 H\n0.856962 0.099152 0.838759 H\n0.877773 0.426092 0.184224 H\n0.448083 0.250087 0.317902 H\n0.357351 0.326323 0.051836 H\n0.149188 0.160942 0.387144 H\n0.076803 0.238856 0.171077 H\n0.536488 0.226160 0.146849 H\n0.643038 0.099152 0.338759 H\n0.014770 0.906672 0.591806 S\n0.485230 0.906672 0.091806 S\n0.514770 0.093328 0.908194 S\n0.985230 0.093328 0.408194 S\n0.307789 0.914833 0.597987 O\n0.580084 0.864209 0.613342 O\n0.781494 0.855335 0.628287 O\n0.706343 0.636906 0.920595 O\n0.910223 0.642688 0.904390 O\n0.428492 0.641199 0.829527 O\n0.177229 0.584719 0.868110 O\n0.192211 0.914833 0.097987 O\n0.919916 0.864209 0.113342 O\n0.718506 0.855335 0.128287 O\n0.793657 0.636906 0.420595 O\n0.589777 0.642688 0.404390 O\n0.071508 0.641199 0.329527 O\n0.322771 0.584719 0.368110 O\n0.677229 0.415281 0.631890 O\n0.928492 0.358801 0.670473 O\n0.410223 0.357312 0.595610 O\n0.206343 0.363094 0.579405 O\n0.281494 0.144665 0.871713 O\n0.080084 0.135791 0.886658 O\n0.807789 0.085167 0.902013 O\n0.822771 0.415281 0.131890 O\n0.571508 0.358801 0.170473 O\n0.089777 0.357312 0.095610 O\n0.293657 0.363094 0.079405 O\n0.218506 0.144665 0.371713 O\n0.419916 0.135791 0.386658 O\n0.692211 0.085167 0.402013 O\n","nsites":84,"nelements":5,"elements":["Na","Cr","H","S","O"],"chemical_system":"Cr-H-Na-O-S","density":2.2225416600196177,"density_atomic":0.09493181256548172,"volume":884.8456353033266,"volume_molar":6.343648769843164,"formula_full":"Na16 Cr4 H32 S4 O28","formula_reduced":"Na4CrH8SO7","formula_anonymous":"ABC4D7E8","energy":-452.1912721700001,"energy_per_atom":-5.3832294305952395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-422.94727217,"band_gap":2.4186,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.7077848,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.419000Z","spacegroup":14},{"id":"mp-829746","created_at":"2022-09-04T14:42:54.129113Z","structure_string":"Li7 Mn3 Fe1 P6 O24\n1.0\n7.595042 -4.458914 0.000000\n7.595042 4.458914 0.000000\n4.977292 0.000000 7.265889\nLi Mn Fe P O\n7 3 1 6 24\ndirect\n0.648963 0.234592 0.817838 Li\n0.234592 0.817838 0.648963 Li\n0.224576 0.398196 0.722121 Li\n0.015848 0.015848 0.015848 Li\n0.817838 0.648963 0.234592 Li\n0.722121 0.224576 0.398196 Li\n0.398196 0.722121 0.224576 Li\n0.850491 0.850491 0.850491 Mn\n0.352531 0.352531 0.352531 Mn\n0.646139 0.646139 0.646139 Mn\n0.146501 0.146501 0.146501 Fe\n0.245041 0.542100 0.962040 P\n0.962040 0.245041 0.542100 P\n0.542100 0.962040 0.245041 P\n0.447658 0.050234 0.748732 P\n0.050234 0.748732 0.447658 P\n0.748732 0.447658 0.050234 P\n0.127235 0.287864 0.509013 O\n0.509013 0.127235 0.287864 O\n0.287864 0.509013 0.127235 O\n0.077598 0.722917 0.947270 O\n0.401470 0.566973 0.775509 O\n0.201306 0.378742 0.985151 O\n0.947270 0.077598 0.722917 O\n0.775509 0.401470 0.566973 O\n0.566973 0.775509 0.401470 O\n0.608657 0.032472 0.791933 O\n0.256445 0.097379 0.899903 O\n0.032472 0.791933 0.608657 O\n0.985151 0.201306 0.378742 O\n0.722917 0.947270 0.077598 O\n0.378742 0.985151 0.201306 O\n0.444107 0.229886 0.574706 O\n0.229886 0.574706 0.444107 O\n0.097379 0.899903 0.256445 O\n0.791933 0.608657 0.032472 O\n0.574706 0.444107 0.229886 O\n0.899903 0.256445 0.097379 O\n0.717839 0.473877 0.883118 O\n0.473877 0.883118 0.717839 O\n0.883118 0.717839 0.473877 O\n","nsites":41,"nelements":5,"elements":["Li","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mn-O-P","density":2.83120612953449,"density_atomic":0.08331166733954909,"volume":492.12794929308524,"volume_molar":7.228448250178298,"formula_full":"Li7 Mn3 Fe1 P6 O24","formula_reduced":"Li7Mn3Fe(PO4)6","formula_anonymous":"AB3C6D7E24","energy":-303.25450022,"energy_per_atom":-7.396451224878049,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.50650022,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9994379,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.789000Z","spacegroup":146},{"id":"mp-1102490","created_at":"2022-09-04T14:42:54.134974Z","structure_string":"Li3 Ni2 Sb1 O6\n1.0\n0.021221 0.000000 -5.231392\n-2.467245 -4.524627 0.895556\n-2.467245 4.524627 0.895556\nLi Ni Sb O\n3 2 1 6\ndirect\n0.500000 0.828656 0.171344 Li\n0.500000 0.171344 0.828656 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.666572 0.333428 Ni\n0.000000 0.333428 0.666572 Ni\n0.000000 0.000000 0.000000 Sb\n0.229010 0.759036 0.759036 O\n0.770990 0.240964 0.240964 O\n0.232787 0.078968 0.398696 O\n0.232787 0.398696 0.078968 O\n0.767213 0.921032 0.601304 O\n0.767213 0.601304 0.921032 O\n","nsites":12,"nelements":4,"elements":["Li","Ni","Sb","O"],"chemical_system":"Li-Ni-O-Sb","density":5.068220150310588,"density_atomic":0.10289134808322692,"volume":116.62788197014797,"volume_molar":5.852912681374144,"formula_full":"Li3 Ni2 Sb1 O6","formula_reduced":"Li3Ni2SbO6","formula_anonymous":"AB2C3D6","energy":-74.07624361,"energy_per_atom":-6.1730203008333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.87224361,"band_gap":2.8046,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998952,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.857000Z","spacegroup":12},{"id":"mp-1290742","created_at":"2022-09-04T14:42:54.130429Z","structure_string":"Li8 Mg2 Ni6 O16\n1.0\n-2.887336 5.000495 -0.000674\n-2.880963 -1.663839 4.761964\n5.833630 3.367084 4.819131\nLi Mg Ni O\n8 2 6 16\ndirect\n0.250217 0.249494 0.250574 Li\n0.749792 0.750496 0.749428 Li\n0.252485 0.749811 0.750071 Li\n0.747483 0.250170 0.249936 Li\n0.999842 0.000159 0.500018 Li\n0.500010 0.499952 0.999985 Li\n0.999798 0.499789 0.999987 Li\n0.500016 0.000062 0.500005 Li\n0.249176 0.249681 0.749741 Mg\n0.750822 0.750309 0.250256 Mg\n0.251715 0.750002 0.250139 Ni\n0.748315 0.249981 0.749877 Ni\n0.500046 0.999988 0.999995 Ni\n0.000042 0.999954 0.999993 Ni\n0.499973 0.500079 0.499987 Ni\n0.000006 0.500052 0.499992 Ni\n0.272957 0.761050 0.995495 O\n0.727441 0.261616 0.495183 O\n0.272602 0.738418 0.504826 O\n0.727158 0.238920 0.004499 O\n0.252853 0.219549 0.997570 O\n0.746397 0.720412 0.497845 O\n0.253591 0.279658 0.502160 O\n0.747203 0.780385 0.002425 O\n0.013604 0.516597 0.263502 O\n0.511722 0.015256 0.770746 O\n0.488333 0.984767 0.229233 O\n0.986376 0.483394 0.736502 O\n0.014295 0.983056 0.237071 O\n0.512113 0.484042 0.729298 O\n0.487874 0.515984 0.270723 O\n0.985741 0.016918 0.762936 O\n","nsites":32,"nelements":4,"elements":["Li","Mg","Ni","O"],"chemical_system":"Li-Mg-Ni-O","density":4.25792866766056,"density_atomic":0.11519752456162131,"volume":277.783746845034,"volume_molar":5.227665076065628,"formula_full":"Li8 Mg2 Ni6 O16","formula_reduced":"Li4MgNi3O8","formula_anonymous":"AB3C4D8","energy":-187.18183192,"energy_per_atom":-5.8494322475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.94383192,"band_gap":0.2297999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.000373,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.638000Z","spacegroup":13},{"id":"mp-1029349","created_at":"2022-09-04T14:42:54.154253Z","structure_string":"Y4 Se3 N2\n1.0\n1.972625 6.687744 0.000000\n-1.972625 6.687744 0.000000\n0.000000 6.527990 7.953002\nY Se N\n4 3 2\ndirect\n0.240951 0.240951 0.641430 Y\n0.759048 0.759049 0.358570 Y\n0.558013 0.558013 0.152417 Y\n0.441987 0.441987 0.847583 Y\n0.000000 0.000000 0.000000 Se\n0.830896 0.830896 0.775078 Se\n0.169104 0.169104 0.224922 Se\n0.352945 0.352945 0.362818 N\n0.647055 0.647055 0.637182 N\n","nsites":9,"nelements":3,"elements":["Y","Se","N"],"chemical_system":"N-Se-Y","density":4.910405766118565,"density_atomic":0.042890118769146474,"volume":209.83854226289202,"volume_molar":14.040858204226051,"formula_full":"Y4 Se3 N2","formula_reduced":"Y4Se3N2","formula_anonymous":"A2B3C4","energy":-71.51436114,"energy_per_atom":-7.946040126666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.37636114,"band_gap":1.3943000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015256,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.255000Z","spacegroup":12},{"id":"mp-559442","created_at":"2022-09-04T14:42:54.170663Z","structure_string":"Ba2 Ru7 O18\n1.0\n6.836512 0.000000 0.000000\n-3.127271 6.516511 0.000000\n-0.613597 -0.790180 7.584039\nBa Ru O\n2 7 18\ndirect\n0.319928 0.687559 0.621515 Ba\n0.680072 0.312441 0.378485 Ba\n0.387349 0.275917 0.884557 Ru\n0.802365 0.127863 0.815813 Ru\n0.197635 0.872137 0.184187 Ru\n0.612651 0.724083 0.115443 Ru\n0.000000 0.000000 0.500000 Ru\n0.825306 0.620124 0.801695 Ru\n0.174694 0.379876 0.198305 Ru\n0.918028 0.731999 0.582761 O\n0.287854 0.167736 0.114353 O\n0.323059 0.511892 0.985701 O\n0.475651 0.556027 0.305443 O\n0.489538 0.908861 0.166175 O\n0.905021 0.401828 0.730590 O\n0.712146 0.832264 0.885647 O\n0.917778 0.233583 0.048755 O\n0.676941 0.488108 0.014299 O\n0.081972 0.268001 0.417239 O\n0.096865 0.131816 0.749854 O\n0.726498 0.003179 0.572178 O\n0.094979 0.598172 0.269410 O\n0.903135 0.868184 0.250146 O\n0.082222 0.766417 0.951245 O\n0.510462 0.091139 0.833825 O\n0.273502 0.996821 0.427822 O\n0.524349 0.443973 0.694557 O\n","nsites":27,"nelements":3,"elements":["Ba","Ru","O"],"chemical_system":"Ba-O-Ru","density":6.242349706347071,"density_atomic":0.07991227476610022,"volume":337.87049710482944,"volume_molar":7.535939600801687,"formula_full":"Ba2 Ru7 O18","formula_reduced":"Ba2Ru7O18","formula_anonymous":"A2B7C18","energy":-205.10883897,"energy_per_atom":-7.596623665555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.74283897,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8925694,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.271000Z","spacegroup":2},{"id":"mp-1102792","created_at":"2022-09-04T14:42:54.184807Z","structure_string":"Gd1 Ge4 Rh6\n1.0\n3.613232 -6.258301 0.000000\n3.613232 6.258301 0.000000\n0.000000 0.000000 3.863897\nGd Ge Rh\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Gd\n0.333333 0.666667 0.000000 Ge\n0.802962 0.605924 0.500000 Ge\n0.394076 0.197038 0.500000 Ge\n0.802962 0.197038 0.500000 Ge\n0.533362 0.066724 0.000000 Rh\n0.933276 0.466638 0.000000 Rh\n0.533362 0.466638 0.000000 Rh\n0.199542 0.399083 0.500000 Rh\n0.600917 0.800458 0.500000 Rh\n0.199542 0.800458 0.500000 Rh\n","nsites":11,"nelements":3,"elements":["Gd","Ge","Rh"],"chemical_system":"Gd-Ge-Rh","density":10.122550565463062,"density_atomic":0.06294842286140596,"volume":174.7462366804453,"volume_molar":9.566785768817423,"formula_full":"Gd1 Ge4 Rh6","formula_reduced":"Gd(Ge2Rh3)2","formula_anonymous":"AB4C6","energy":-84.93365066,"energy_per_atom":-7.721240969090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.93365066,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0213901,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.824000Z","spacegroup":187},{"id":"mp-30059","created_at":"2022-09-04T14:42:54.187380Z","structure_string":"Tl8 Sb12 O36\n1.0\n9.590753 0.000000 0.000000\n0.000000 9.590753 0.000000\n0.000000 0.000000 9.590753\nTl Sb O\n8 12 36\ndirect\n0.638547 0.361453 0.638547 Tl\n0.361453 0.638547 0.638547 Tl\n0.638547 0.638547 0.361453 Tl\n0.361453 0.361453 0.361453 Tl\n0.861453 0.138547 0.861453 Tl\n0.138547 0.861453 0.861453 Tl\n0.861453 0.861453 0.138547 Tl\n0.138547 0.138547 0.138547 Tl\n0.837326 0.000000 0.500000 Sb\n0.000000 0.500000 0.837326 Sb\n0.500000 0.837326 0.000000 Sb\n0.000000 0.500000 0.162674 Sb\n0.500000 0.162674 0.000000 Sb\n0.162674 0.000000 0.500000 Sb\n0.662674 0.500000 0.000000 Sb\n0.500000 0.000000 0.662674 Sb\n0.000000 0.662674 0.500000 Sb\n0.500000 0.000000 0.337326 Sb\n0.000000 0.337326 0.500000 Sb\n0.337326 0.500000 0.000000 Sb\n0.788722 0.505875 0.164449 O\n0.788722 0.494125 0.835551 O\n0.211278 0.505875 0.835551 O\n0.494125 0.835551 0.788722 O\n0.835551 0.211278 0.505875 O\n0.835551 0.788722 0.494125 O\n0.505875 0.164449 0.788722 O\n0.164449 0.788722 0.505875 O\n0.505875 0.835551 0.211278 O\n0.494125 0.164449 0.211278 O\n0.164449 0.211278 0.494125 O\n0.211278 0.494125 0.164449 O\n0.711278 0.994125 0.335551 O\n0.711278 0.005875 0.664449 O\n0.288722 0.994125 0.664449 O\n0.005875 0.664449 0.711278 O\n0.664449 0.288722 0.994125 O\n0.664449 0.711278 0.005875 O\n0.994125 0.335551 0.711278 O\n0.335551 0.711278 0.994125 O\n0.363109 0.000000 0.000000 O\n0.000000 0.363109 0.000000 O\n0.000000 0.000000 0.363109 O\n0.000000 0.636891 0.000000 O\n0.000000 0.000000 0.636891 O\n0.636891 0.000000 0.000000 O\n0.136891 0.500000 0.500000 O\n0.500000 0.136891 0.500000 O\n0.500000 0.500000 0.136891 O\n0.500000 0.863109 0.500000 O\n0.500000 0.500000 0.863109 O\n0.863109 0.500000 0.500000 O\n0.288722 0.005875 0.335551 O\n0.335551 0.288722 0.005875 O\n0.005875 0.335551 0.288722 O\n0.994125 0.664449 0.288722 O\n","nsites":56,"nelements":3,"elements":["Tl","Sb","O"],"chemical_system":"O-Sb-Tl","density":6.912149803065049,"density_atomic":0.06347897536157272,"volume":882.1818512511758,"volume_molar":9.486827293128506,"formula_full":"Tl8 Sb12 O36","formula_reduced":"Tl2(SbO3)3","formula_anonymous":"A2B3C9","energy":-337.68109375,"energy_per_atom":-6.03001953125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.94909375,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.4035088,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.356000Z","spacegroup":201}]}