{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=4581","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=4579","results":[{"id":"jvasp-99102","created_at":"2022-09-04T14:35:42.811067Z","updated_at":"2022-09-04T14:35:42.811092Z","structure_string":"Al2 P2 S8\n1.0\n6.428969 0.000000 0.000000\n0.000000 6.428969 0.000000\n0.000000 0.000000 7.694969\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.584671 Al\n0.000000 0.000000 0.084671 Al\n0.000000 0.500000 0.084665 P\n0.500000 0.000000 0.584665 P\n0.732637 0.238771 0.584666 S\n0.761229 0.267364 0.084666 S\n0.732637 0.761229 0.584666 S\n0.238771 0.732637 0.084666 S\n0.267364 0.761229 0.584666 S\n0.238771 0.267364 0.084666 S\n0.761229 0.732637 0.084666 S\n0.267364 0.238771 0.584666 S\n","nsites":12,"nelements":3,"elements":["Al","P","S"],"chemical_system":"Al-P-S","density":1.9444864346832127,"density_atomic":0.037730425959271265,"volume":318.04570700987045,"volume_molar":15.960966797726323,"formula_full":"Al2 P2 S8","formula_reduced":"AlPS4","formula_anonymous":"ABC4","energy_above_hull":2.2517713833333337,"spacegroup":131},{"id":"jvasp-88048","created_at":"2022-09-04T14:35:42.809922Z","updated_at":"2022-09-04T14:35:42.809949Z","structure_string":"Mg2 C2 O6\n1.0\n3.611326 -0.000001 0.000001\n-0.000003 4.892908 -1.573947\n0.000000 -0.277667 5.132291\nMg C O\n2 2 6\ndirect\n0.750008 0.787419 0.212578 Mg\n0.250007 0.212581 0.787421 Mg\n-0.000001 0.346859 0.346860 C\n0.500000 0.653142 0.653140 C\n0.850363 0.345305 0.105275 O\n0.249999 0.583290 0.416710 O\n0.350364 0.654695 0.894722 O\n0.649636 0.894719 0.654692 O\n0.749998 0.416711 0.583290 O\n0.149636 0.105279 0.345307 O\n","nsites":10,"nelements":3,"elements":["Mg","C","O"],"chemical_system":"C-Mg-O","density":3.142375149006354,"density_atomic":0.11222245367953511,"volume":89.10872710514973,"volume_molar":5.36625297571639,"formula_full":"Mg2 C2 O6","formula_reduced":"MgCO3","formula_anonymous":"ABC3","energy_above_hull":2.28255191,"spacegroup":20},{"id":"jvasp-67697","created_at":"2022-09-04T14:35:42.804932Z","updated_at":"2022-09-04T14:35:42.804962Z","structure_string":"Y2 Be1 Se1\n1.0\n4.041654 0.000000 0.000000\n0.000000 4.041654 -0.000000\n0.000000 0.000000 5.723657\nY Be Se\n2 1 1\ndirect\n0.000000 0.000000 0.875006 Y\n0.500000 0.500000 0.375009 Y\n0.000000 0.000000 0.374982 Be\n0.500000 0.500000 0.875005 Se\n","nsites":4,"nelements":3,"elements":["Y","Be","Se"],"chemical_system":"Be-Se-Y","density":4.720476880045496,"density_atomic":0.042782694002164515,"volume":93.49574853321829,"volume_molar":14.076113953215101,"formula_full":"Y2 Be1 Se1","formula_reduced":"Y2BeSe","formula_anonymous":"ABC2","energy_above_hull":2.049390091666667,"spacegroup":123},{"id":"jvasp-85398","created_at":"2022-09-04T14:35:42.800158Z","updated_at":"2022-09-04T14:35:42.800186Z","structure_string":"Tl2 Fe2 O4\n1.0\n5.182571 0.064814 3.499246\n1.893314 4.824792 3.499246\n0.093794 0.064814 6.252597\nTl Fe O\n2 2 4\ndirect\n0.802439 0.802438 0.802443 Tl\n0.197560 0.197560 0.197561 Tl\n0.383912 0.383912 0.383914 Fe\n0.616087 0.616086 0.616089 Fe\n0.500000 -0.000001 0.500001 O\n-0.000001 0.499999 0.500001 O\n0.499999 0.499999 0.500002 O\n0.500000 0.499999 0.000001 O\n","nsites":8,"nelements":3,"elements":["Tl","Fe","O"],"chemical_system":"Fe-O-Tl","density":6.332040212437428,"density_atomic":0.05219562110489582,"volume":153.26956228612863,"volume_molar":11.537635978883177,"formula_full":"Tl2 Fe2 O4","formula_reduced":"TlFeO2","formula_anonymous":"ABC2","energy_above_hull":1.666361275,"spacegroup":166},{"id":"jvasp-15442","created_at":"2022-09-04T14:35:42.799157Z","updated_at":"2022-09-04T14:35:42.799171Z","structure_string":"Ce1 Si2 Os2\n1.0\n3.934353 -0.000000 -1.531482\n-0.596143 3.888926 -1.531482\n-0.042128 -0.049079 5.711159\nCe Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.629336 0.629336 0.258671 Si\n0.370664 0.370664 0.741329 Si\n0.250000 0.750001 0.500001 Os\n0.749999 0.250000 0.500000 Os\n","nsites":5,"nelements":3,"elements":["Ce","Si","Os"],"chemical_system":"Ce-Os-Si","density":11.034600588555058,"density_atomic":0.057609244606059304,"volume":86.79162579184562,"volume_molar":10.453427746154814,"formula_full":"Ce1 Si2 Os2","formula_reduced":"Ce(SiOs)2","formula_anonymous":"AB2C2","energy_above_hull":4.20600654,"spacegroup":139},{"id":"jvasp-16935","created_at":"2022-09-04T14:35:42.799111Z","updated_at":"2022-09-04T14:35:42.799122Z","structure_string":"Ca1 Ni2 N2\n1.0\n3.471424 0.000000 0.000000\n-0.000000 3.471424 -0.000000\n0.000000 0.000000 6.053857\nCa Ni N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.703030 Ni\n0.499999 0.499999 0.296970 Ni\n0.000000 0.499999 0.280700 N\n0.499999 0.000000 0.719301 N\n","nsites":5,"nelements":3,"elements":["Ca","Ni","N"],"chemical_system":"Ca-N-Ni","density":4.2217692134552,"density_atomic":0.0685365947816178,"volume":72.95372663219985,"volume_molar":8.786752214913363,"formula_full":"Ca1 Ni2 N2","formula_reduced":"Ca(NiN)2","formula_anonymous":"AB2C2","energy_above_hull":2.516842344,"spacegroup":115},{"id":"jvasp-87144","created_at":"2022-09-04T14:35:42.796652Z","updated_at":"2022-09-04T14:35:42.796677Z","structure_string":"Ce3 Al3 Ni3\n1.0\n6.931036 -0.000000 -0.000000\n-3.465519 6.002454 0.000000\n-0.000000 -0.000000 4.026529\nCe Al Ni\n3 3 3\ndirect\n1.000000 0.577489 0.500000 Ce\n0.577490 0.000000 0.500000 Ce\n0.422511 0.422511 0.500000 Ce\n0.232257 0.999999 0.000000 Al\n0.767743 0.767742 0.000000 Al\n-0.000000 0.232257 0.000000 Al\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n","nsites":9,"nelements":3,"elements":["Ce","Al","Ni"],"chemical_system":"Al-Ce-Ni","density":6.714582815828757,"density_atomic":0.053726021681330394,"volume":167.51659099909622,"volume_molar":11.208983229243405,"formula_full":"Ce3 Al3 Ni3","formula_reduced":"CeAlNi","formula_anonymous":"ABC","energy_above_hull":1.2526669,"spacegroup":189},{"id":"jvasp-66847","created_at":"2022-09-04T14:35:42.792638Z","updated_at":"2022-09-04T14:35:42.792655Z","structure_string":"Mg1 Ti1 Be1\n1.0\n-1.429304 1.429304 5.630224\n1.429304 -1.429304 5.630224\n1.429304 1.429304 -5.630224\nMg Ti Be\n1 1 1\ndirect\n0.351364 0.351364 0.000000 Mg\n0.640656 0.640656 0.000000 Ti\n0.007979 0.007979 0.000000 Be\n","nsites":3,"nelements":3,"elements":["Mg","Ti","Be"],"chemical_system":"Be-Mg-Ti","density":2.9301215284737787,"density_atomic":0.06520582160133136,"volume":46.00816194514059,"volume_molar":9.235587578083736,"formula_full":"Mg1 Ti1 Be1","formula_reduced":"MgTiBe","formula_anonymous":"ABC","energy_above_hull":1.455544494444445,"spacegroup":107},{"id":"jvasp-47962","created_at":"2022-09-04T14:35:42.791441Z","updated_at":"2022-09-04T14:35:42.791470Z","structure_string":"Li2 V1 O2 F1\n1.0\n1.407608 -2.438050 -0.000000\n1.407608 2.438050 0.000000\n-0.000000 0.000000 7.282780\nLi V O F\n2 1 2 1\ndirect\n0.333334 0.666668 0.658488 Li\n0.666668 0.333334 0.341512 Li\n0.000000 0.000000 0.000000 V\n0.333334 0.666668 0.164058 O\n0.666668 0.333334 0.835942 O\n0.000000 0.000000 0.500000 F\n","nsites":6,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.8475455845063973,"density_atomic":0.12003274263536616,"volume":49.986360956749266,"volume_molar":5.01708169602854,"formula_full":"Li2 V1 O2 F1","formula_reduced":"Li2VO2F","formula_anonymous":"ABC2D2","energy_above_hull":1.480473580416667,"spacegroup":164},{"id":"jvasp-1390","created_at":"2022-09-04T14:35:42.788549Z","updated_at":"2022-09-04T14:35:42.788584Z","structure_string":"Sr1 O1\n1.0\n3.168679 0.000000 1.829438\n1.056226 2.987459 1.829438\n0.000000 0.000000 3.658876\nSr O\n1 1\ndirect\n0.500001 0.500000 0.500001 Sr\n0.000000 0.000000 0.000000 O\n","nsites":2,"nelements":2,"elements":["Sr","O"],"chemical_system":"O-Sr","density":4.967779144459423,"density_atomic":0.057743367135624384,"volume":34.63601274415661,"volume_molar":10.429147205523247,"formula_full":"Sr1 O1","formula_reduced":"SrO","formula_anonymous":"AB","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-75582","created_at":"2022-09-04T14:35:42.788075Z","updated_at":"2022-09-04T14:35:42.788114Z","structure_string":"La1 B1 As1\n1.0\n0.000000 3.174186 3.174186\n3.174186 0.000000 3.174186\n3.174186 3.174186 -0.000000\nLa B As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.750001 0.750001 0.750001 B\n0.500001 0.500001 0.500001 As\n","nsites":3,"nelements":3,"elements":["La","B","As"],"chemical_system":"As-B-La","density":5.8318365780644745,"density_atomic":0.04690230036416947,"volume":63.962747598875104,"volume_molar":12.839755647892597,"formula_full":"La1 B1 As1","formula_reduced":"LaBAs","formula_anonymous":"ABC","energy_above_hull":2.569426444444445,"spacegroup":216},{"id":"jvasp-70979","created_at":"2022-09-04T14:35:42.785010Z","updated_at":"2022-09-04T14:35:42.785035Z","structure_string":"Be2 Bi1 W1\n1.0\n2.811838 -3.189695 0.000000\n2.811838 3.189695 0.000000\n0.000000 0.000000 3.371973\nBe Bi W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000001 0.500000 Bi\n0.000001 0.500000 0.500000 W\n","nsites":4,"nelements":3,"elements":["Be","Bi","W"],"chemical_system":"Be-Bi-W","density":11.279070633356113,"density_atomic":0.06613120766901244,"volume":60.48581510895813,"volume_molar":9.106352314237014,"formula_full":"Be2 Bi1 W1","formula_reduced":"Be2BiW","formula_anonymous":"ABC2","energy_above_hull":3.3317866250000003,"spacegroup":65}]}