{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3448","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3446","results":[{"id":"jvasp-21649","created_at":"2022-09-04T14:37:55.414014Z","updated_at":"2022-09-04T14:37:55.414035Z","structure_string":"Lu1 Al8 Fe4\n1.0\n4.656247 -0.000000 1.903309\n2.328124 6.112945 0.951655\n0.015143 -0.000000 6.610119\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n-0.000001 0.338277 0.661724 Al\n0.280080 0.219920 0.219921 Al\n0.500000 0.780079 0.219921 Al\n0.500000 0.219920 0.780080 Al\n0.719920 0.780079 0.780081 Al\n-0.000001 0.661722 0.338278 Al\n0.338276 0.661722 0.661724 Al\n0.661723 0.338277 0.338277 Al\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n","nsites":13,"nelements":3,"elements":["Lu","Al","Fe"],"chemical_system":"Al-Fe-Lu","density":5.425871718189283,"density_atomic":0.06915991537030863,"volume":187.97015482730174,"volume_molar":8.707559469607729,"formula_full":"Lu1 Al8 Fe4","formula_reduced":"Lu(Al2Fe)4","formula_anonymous":"AB4C8","energy_above_hull":2.667683088461539,"spacegroup":139},{"id":"jvasp-30324","created_at":"2022-09-04T14:37:53.258103Z","updated_at":"2022-09-04T14:37:53.258125Z","structure_string":"Mg2 Mn3 O8\n1.0\n5.206096 2.753919 -0.077182\n-5.206096 2.753919 0.077182\n-1.643293 0.000000 4.553029\nMg Mn O\n2 3 8\ndirect\n0.267479 0.732521 0.336932 Mg\n0.732521 0.267479 0.663068 Mg\n0.000000 -0.000000 0.500000 Mn\n0.281115 0.281115 0.000000 Mn\n0.718886 0.718886 -0.000000 Mn\n0.099630 0.900370 0.913924 O\n0.122653 0.347144 0.597636 O\n0.652856 0.877348 0.597636 O\n0.380645 0.619355 0.065172 O\n0.619355 0.380645 0.934828 O\n0.347144 0.122652 0.402364 O\n0.877348 0.652856 0.402364 O\n0.900370 0.099630 0.086076 O\n","nsites":13,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.365897382583755,"density_atomic":0.10011050829308536,"volume":129.85649780081988,"volume_molar":6.015493141208983,"formula_full":"Mg2 Mn3 O8","formula_reduced":"Mg2Mn3O8","formula_anonymous":"A2B3C8","energy_above_hull":2.694871371087533,"spacegroup":12},{"id":"jvasp-39634","created_at":"2022-09-04T14:37:53.655234Z","updated_at":"2022-09-04T14:37:53.655253Z","structure_string":"Tb1 Mn12\n1.0\n-4.135248 4.135248 2.280162\n4.135248 -4.135248 2.280162\n4.135248 4.135248 -2.280162\nTb Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.499999 0.500000 Mn\n0.000001 0.000001 0.500000 Mn\n0.499999 0.999998 0.000000 Mn\n0.999998 0.499999 0.000000 Mn\n-0.000000 0.364749 0.364749 Mn\n-0.000000 0.635253 0.635253 Mn\n0.635253 -0.000000 0.635253 Mn\n0.364749 -0.000000 0.364749 Mn\n0.500001 0.273066 0.773067 Mn\n0.500000 0.726934 0.226933 Mn\n0.726934 0.500000 0.226933 Mn\n0.273066 0.500001 0.773067 Mn\n","nsites":13,"nelements":2,"elements":["Tb","Mn"],"chemical_system":"Mn-Tb","density":8.71104273495014,"density_atomic":0.08335171436596578,"volume":155.9655982949784,"volume_molar":7.224975281922892,"formula_full":"Tb1 Mn12","formula_reduced":"TbMn12","formula_anonymous":"AB12","energy_above_hull":4.940965022811671,"spacegroup":139},{"id":"jvasp-29434","created_at":"2022-09-04T14:37:53.702783Z","updated_at":"2022-09-04T14:37:53.702809Z","structure_string":"Cu3 Se2 Cl2 O6\n1.0\n5.319048 0.075549 1.535571\n1.616304 5.068091 1.535571\n-0.021577 -0.016002 7.616257\nCu Se Cl O\n3 2 2 6\ndirect\n0.593942 0.593942 0.156312 Cu\n0.000000 0.000000 0.000000 Cu\n0.406057 0.406058 0.843689 Cu\n0.166018 0.166019 0.265122 Se\n0.833981 0.833982 0.734879 Se\n0.294526 0.294527 0.623945 Cl\n0.705473 0.705473 0.376055 Cl\n0.725948 0.107304 0.852557 O\n0.274051 0.892696 0.147444 O\n0.354871 0.354871 0.131963 O\n0.645128 0.645129 0.868037 O\n0.892696 0.274052 0.147443 O\n0.107303 0.725948 0.852557 O\n","nsites":13,"nelements":4,"elements":["Cu","Se","Cl","O"],"chemical_system":"Cl-Cu-O-Se","density":4.182651932857679,"density_atomic":0.06352587765810433,"volume":204.64101369784888,"volume_molar":9.479822998134878,"formula_full":"Cu3 Se2 Cl2 O6","formula_reduced":"Cu3Se2(ClO3)2","formula_anonymous":"A2B2C3D6","energy_above_hull":1.474209786025641,"spacegroup":12},{"id":"jvasp-9285","created_at":"2022-09-04T14:38:01.953772Z","updated_at":"2022-09-04T14:38:01.953792Z","structure_string":"Zn1 Sb4 O8\n1.0\n3.235247 -0.296195 -0.466619\n0.695115 7.036696 0.324141\n-0.069515 3.604140 8.721214\nZn Sb O\n1 4 8\ndirect\n0.483883 0.910386 0.816251 Zn\n0.326057 0.741472 0.500114 Sb\n0.007719 0.318138 0.865000 Sb\n0.133468 0.615032 0.116015 Sb\n0.798229 0.197422 0.445737 Sb\n0.211105 0.311684 0.271051 O\n0.691115 0.659569 0.231900 O\n0.454839 0.250613 0.758463 O\n0.917624 0.608666 0.684359 O\n0.765556 -0.039620 0.379453 O\n0.045610 0.903547 0.940320 O\n0.372046 0.966182 0.593413 O\n0.570325 0.566280 -0.010874 O\n","nsites":13,"nelements":3,"elements":["Zn","Sb","O"],"chemical_system":"O-Sb-Zn","density":5.7893986258822245,"density_atomic":0.06660934943485494,"volume":195.16779716808702,"volume_molar":9.04098420281038,"formula_full":"Zn1 Sb4 O8","formula_reduced":"Zn(SbO2)4","formula_anonymous":"AB4C8","energy_above_hull":2.175180984615385,"spacegroup":8},{"id":"jvasp-21635","created_at":"2022-09-04T14:38:00.741224Z","updated_at":"2022-09-04T14:38:00.741246Z","structure_string":"Y1 Mn4 Al8\n1.0\n4.589385 0.000000 1.864333\n2.294693 6.218374 0.932166\n-0.045648 -0.000000 6.693328\nY Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.340795 0.659205 0.659206 Al\n-0.000000 0.340795 0.659206 Al\n-0.000000 0.659205 0.340796 Al\n0.659206 0.340795 0.340795 Al\n0.281091 0.218909 0.218910 Al\n0.500000 0.781090 0.218910 Al\n0.500000 0.218909 0.781091 Al\n0.718910 0.781090 0.781091 Al\n","nsites":13,"nelements":3,"elements":["Y","Mn","Al"],"chemical_system":"Al-Mn-Y","density":4.547033871072795,"density_atomic":0.06786852192362601,"volume":191.54682659258728,"volume_molar":8.873245783629782,"formula_full":"Y1 Mn4 Al8","formula_reduced":"Y(MnAl2)4","formula_anonymous":"AB4C8","energy_above_hull":3.1271820627320954,"spacegroup":139},{"id":"jvasp-99260","created_at":"2022-09-04T14:37:46.245867Z","updated_at":"2022-09-04T14:37:46.245893Z","structure_string":"Sr2 Ca1 Tl1 Cu2 O7\n1.0\n3.773558 0.000000 0.000000\n0.000000 3.773558 0.000000\n0.000000 -0.000000 12.204720\nSr Ca Tl Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.210049 Sr\n0.500000 0.500000 0.789951 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.359453 Cu\n0.000000 0.000000 0.640547 Cu\n0.500000 0.000000 0.627646 O\n0.000000 0.500000 0.627646 O\n0.500000 0.000000 0.372354 O\n0.000000 0.500000 0.372354 O\n0.000000 0.000000 0.826991 O\n0.000000 0.000000 0.173009 O\n0.500000 0.500000 0.000000 O\n","nsites":13,"nelements":5,"elements":["Sr","Ca","Tl","Cu","O"],"chemical_system":"Ca-Cu-O-Sr-Tl","density":6.294563556965088,"density_atomic":0.07480204531113636,"volume":173.7920393209434,"volume_molar":8.0507701827552,"formula_full":"Sr2 Ca1 Tl1 Cu2 O7","formula_reduced":"Sr2CaTlCu2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":1.1606577723076923,"spacegroup":123},{"id":"jvasp-59672","created_at":"2022-09-04T14:37:39.625149Z","updated_at":"2022-09-04T14:37:39.625171Z","structure_string":"Nd1 Mn12\n1.0\n4.301302 0.000000 1.689321\n2.150651 5.908660 0.844660\n-0.009336 0.000000 6.344362\nNd Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.732679 0.767319 0.767319 Mn\n0.499999 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.367162 0.632837 0.632837 Mn\n-0.000001 0.367163 0.632837 Mn\n-0.000001 0.632837 0.367163 Mn\n0.632836 0.367163 0.367163 Mn\n0.267319 0.232681 0.232681 Mn\n0.499999 0.767319 0.232681 Mn\n0.499999 0.232681 0.767319 Mn\n","nsites":13,"nelements":2,"elements":["Nd","Mn"],"chemical_system":"Mn-Nd","density":8.270016440898418,"density_atomic":0.08057782413065746,"volume":161.33471138312714,"volume_molar":7.473694934024354,"formula_full":"Nd1 Mn12","formula_reduced":"NdMn12","formula_anonymous":"AB12","energy_above_hull":4.96511526127321,"spacegroup":139},{"id":"jvasp-46743","created_at":"2022-09-04T14:38:00.738393Z","updated_at":"2022-09-04T14:38:00.738407Z","structure_string":"Li3 Mn1 Si2 O7\n1.0\n4.620770 -0.002577 0.006402\n-2.296266 4.695438 -0.028869\n-0.089609 -1.266567 6.618418\nLi Mn Si O\n3 1 2 7\ndirect\n0.708347 0.416020 0.151304 Li\n0.845918 0.714112 0.550149 Li\n0.283938 0.570148 0.832348 Li\n-0.006751 -0.005534 0.006633 Mn\n0.585492 0.163311 0.713549 Si\n0.436123 0.835610 0.289579 Si\n0.755212 0.083776 0.204234 O\n0.891002 0.457162 0.692228 O\n0.367923 0.235274 0.889798 O\n0.689010 0.921657 0.785574 O\n0.515060 0.579366 0.329453 O\n0.338730 0.986279 0.501922 O\n0.130914 0.742708 0.115170 O\n","nsites":13,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":2.8244324396488,"density_atomic":0.09064921900129627,"volume":143.40995039145457,"volume_molar":6.6433454433996655,"formula_full":"Li3 Mn1 Si2 O7","formula_reduced":"Li3MnSi2O7","formula_anonymous":"AB2C3D7","energy_above_hull":2.595392995490716,"spacegroup":1},{"id":"jvasp-30661","created_at":"2022-09-04T14:37:39.627756Z","updated_at":"2022-09-04T14:37:39.627800Z","structure_string":"Mg2 Sb3 O8\n1.0\n5.500673 0.249378 -1.255128\n-0.922673 5.483781 -2.954114\n0.150866 -0.359857 5.995848\nMg Sb O\n2 3 8\ndirect\n0.585505 0.706020 0.412040 Mg\n0.414496 0.293981 0.587962 Mg\n0.499998 0.000000 0.000002 Sb\n-0.000000 0.741523 -0.000000 Sb\n-0.000001 0.258476 -0.000001 Sb\n0.141173 0.401645 0.803290 O\n0.858827 0.598354 0.196711 O\n0.098642 0.893899 0.787799 O\n0.901359 0.106100 0.212202 O\n0.344913 0.372806 0.266811 O\n0.344913 0.894005 0.266812 O\n0.655088 0.105995 0.733187 O\n0.655088 0.627191 0.733187 O\n","nsites":13,"nelements":3,"elements":["Mg","Sb","O"],"chemical_system":"Mg-O-Sb","density":5.086489071331078,"density_atomic":0.07348607993731136,"volume":176.90425194934724,"volume_molar":8.194940817549796,"formula_full":"Mg2 Sb3 O8","formula_reduced":"Mg2Sb3O8","formula_anonymous":"A2B3C8","energy_above_hull":1.9854726461538463,"spacegroup":12},{"id":"jvasp-38510","created_at":"2022-09-04T14:37:45.498110Z","updated_at":"2022-09-04T14:37:45.498126Z","structure_string":"Pr1 Al8 Fe4\n1.0\n-0.000000 -0.000000 -5.062447\n4.399683 4.399683 2.531225\n4.399683 -4.399683 -2.531225\nPr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.225070 0.225070 Al\n0.274929 0.774929 0.225071 Al\n-0.000000 0.342348 0.342348 Al\n0.657653 0.657653 0.342348 Al\n0.342347 0.342348 0.657653 Al\n0.000000 0.657653 0.657653 Al\n0.725072 0.225071 0.774929 Al\n0.500000 0.774929 0.774929 Al\n0.000001 0.500000 0.000000 Fe\n0.500001 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.499999 0.000000 0.500000 Fe\n","nsites":13,"nelements":3,"elements":["Pr","Al","Fe"],"chemical_system":"Al-Fe-Pr","density":4.915284036838038,"density_atomic":0.0663300148151831,"volume":195.98970445313802,"volume_molar":9.079058367135355,"formula_full":"Pr1 Al8 Fe4","formula_reduced":"Pr(Al2Fe)4","formula_anonymous":"AB4C8","energy_above_hull":2.703525711538462,"spacegroup":139},{"id":"jvasp-101946","created_at":"2022-09-04T14:37:10.373393Z","updated_at":"2022-09-04T14:37:10.373422Z","structure_string":"Cd1 H4 C4 O4\n1.0\n3.891579 0.119261 0.240857\n0.799765 4.082863 0.788404\n-0.016578 0.075993 7.675643\nCd H C O\n1 4 4 4\ndirect\n0.211297 0.264777 0.278878 Cd\n0.382060 0.956673 0.673763 H\n0.510434 0.516374 0.737259 H\n0.912288 0.013219 0.820516 H\n0.040656 0.572921 0.884006 H\n0.828660 0.725098 0.533661 C\n0.605503 0.745387 0.701407 C\n0.817214 0.784206 0.856359 C\n0.594005 0.804477 0.024097 C\n0.768849 0.969059 0.401810 O\n0.069704 0.466988 0.530765 O\n0.352961 0.062581 0.026987 O\n0.653765 0.560491 0.155933 O\n","nsites":13,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":3.135042663817208,"density_atomic":0.10741959574450954,"volume":121.02074961182731,"volume_molar":5.606184531101073,"formula_full":"Cd1 H4 C4 O4","formula_reduced":"CdH4(CO)4","formula_anonymous":"AB4C4D4","energy_above_hull":3.929332596153847,"spacegroup":2}]}