{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3408","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3406","results":[{"id":"jvasp-111007","created_at":"2022-09-04T14:38:39.319021Z","updated_at":"2022-09-04T14:38:39.319043Z","structure_string":"Sn2 Pb1 Se3\n1.0\n4.320298 0.000000 0.000000\n-2.160149 3.741488 0.000000\n0.000000 0.000000 10.590894\nSn Pb Se\n2 1 3\ndirect\n0.333333 0.666667 0.664008 Sn\n0.666667 0.333334 0.335992 Sn\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.172898 Se\n0.666667 0.333334 0.827102 Se\n0.000000 0.000000 0.500000 Se\n","nsites":6,"nelements":3,"elements":["Sn","Pb","Se"],"chemical_system":"Pb-Se-Sn","density":6.610347271457141,"density_atomic":0.035047784377068625,"volume":171.1948445998125,"volume_molar":17.182657526106613,"formula_full":"Sn2 Pb1 Se3","formula_reduced":"Sn2PbSe3","formula_anonymous":"AB2C3","energy_above_hull":0.8831590533333336,"spacegroup":164},{"id":"jvasp-110530","created_at":"2022-09-04T14:38:38.685596Z","updated_at":"2022-09-04T14:38:38.685625Z","structure_string":"U3 P2 Se1\n1.0\n5.167420 0.029506 -4.648180\n-0.494720 3.779366 -5.812084\n-0.013762 -0.029506 6.950368\nU P Se\n3 2 1\ndirect\n0.500000 0.000000 0.500000 U\n0.175479 0.675479 0.500001 U\n0.824522 0.324522 0.500001 U\n0.663060 0.663061 0.000002 P\n0.336940 0.336941 0.000001 P\n0.000000 0.000000 0.000000 Se\n","nsites":6,"nelements":3,"elements":["U","P","Se"],"chemical_system":"P-Se-U","density":10.544346139152198,"density_atomic":0.044561377855117955,"volume":134.64574680584948,"volume_molar":13.514260666669099,"formula_full":"U3 P2 Se1","formula_reduced":"U3P2Se","formula_anonymous":"AB2C3","energy_above_hull":4.497745394444445,"spacegroup":71},{"id":"jvasp-116070","created_at":"2022-09-04T14:38:40.404507Z","updated_at":"2022-09-04T14:38:40.404537Z","structure_string":"Y2 O3 F1\n1.0\n3.492707 0.000000 0.000000\n0.000000 3.575682 3.678083\n0.000000 -3.575682 3.678083\nY O F\n2 3 1\ndirect\n0.000000 0.013502 0.013502 Y\n0.500000 0.491584 0.491584 Y\n0.500000 0.192467 0.192467 O\n0.000000 0.304419 0.693151 O\n0.000000 0.693151 0.304419 O\n0.500000 0.804875 0.804875 F\n","nsites":6,"nelements":3,"elements":["Y","O","F"],"chemical_system":"F-O-Y","density":4.424892022169348,"density_atomic":0.06530985003252195,"volume":91.86975620082143,"volume_molar":9.220876723803823,"formula_full":"Y2 O3 F1","formula_reduced":"Y2O3F","formula_anonymous":"AB2C3","energy_above_hull":1.82463861375,"spacegroup":38},{"id":"jvasp-120461","created_at":"2022-09-04T14:38:38.711739Z","updated_at":"2022-09-04T14:38:38.711761Z","structure_string":"U4 Mn6 Si2\n1.0\n5.074084 -0.000000 0.000000\n-2.537041 4.394287 0.000000\n-0.000000 -0.000000 7.872768\nU Mn Si\n4 6 2\ndirect\n0.666666 0.333334 0.418874 U\n0.333333 0.666667 0.581126 U\n0.333333 0.666667 0.918874 U\n0.666666 0.333334 0.081126 U\n0.829609 0.170391 0.750000 Mn\n0.170391 0.829610 0.250000 Mn\n0.340782 0.170391 0.750000 Mn\n0.659218 0.829610 0.250000 Mn\n0.829609 0.659218 0.750000 Mn\n0.170391 0.340782 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n","nsites":12,"nelements":3,"elements":["U","Mn","Si"],"chemical_system":"Mn-Si-U","density":12.656221496211211,"density_atomic":0.06836089212841873,"volume":175.53896133270922,"volume_molar":8.809336116748101,"formula_full":"U4 Mn6 Si2","formula_reduced":"U2Mn3Si","formula_anonymous":"AB2C3","energy_above_hull":5.092520387356322,"spacegroup":194},{"id":"jvasp-114725","created_at":"2022-09-04T14:38:43.034712Z","updated_at":"2022-09-04T14:38:43.034738Z","structure_string":"Ca2 Zr1 O3\n1.0\n0.000000 7.102644 2.345289\n2.345412 0.000000 2.345289\n2.345412 7.102644 0.000000\nCa Zr O\n2 1 3\ndirect\n0.900027 0.569634 0.430366 Ca\n0.569635 0.900027 0.099973 Ca\n0.234871 0.234871 0.765129 Zr\n0.397487 0.072185 0.927814 O\n0.072186 0.397486 0.602513 O\n0.734885 0.734885 0.265115 O\n","nsites":6,"nelements":3,"elements":["Ca","Zr","O"],"chemical_system":"Ca-O-Zr","density":4.662050930941055,"density_atomic":0.07678664592776778,"volume":78.1385868272476,"volume_molar":7.842692811019448,"formula_full":"Ca2 Zr1 O3","formula_reduced":"Ca2ZrO3","formula_anonymous":"AB2C3","energy_above_hull":1.4755509733333332,"spacegroup":139},{"id":"jvasp-110519","created_at":"2022-09-04T14:38:38.650649Z","updated_at":"2022-09-04T14:38:38.650671Z","structure_string":"Zr2 Ga3 Cu1\n1.0\n4.280803 0.018177 3.285021\n2.275813 3.625780 3.285021\n0.002506 0.001393 6.616792\nZr Ga Cu\n2 3 1\ndirect\n0.544093 0.544094 0.198289 Zr\n0.452270 0.452270 0.795259 Zr\n0.851845 0.851847 0.610306 Ga\n0.826814 0.826816 0.207002 Ga\n0.159067 0.159066 0.796537 Ga\n0.165907 0.165907 0.392606 Cu\n","nsites":6,"nelements":3,"elements":["Zr","Ga","Cu"],"chemical_system":"Cu-Ga-Zr","density":7.3818593191843265,"density_atomic":0.05860045202181419,"volume":102.38828870750831,"volume_molar":10.276611446202226,"formula_full":"Zr2 Ga3 Cu1","formula_reduced":"Zr2Ga3Cu","formula_anonymous":"AB2C3","energy_above_hull":1.1879310708333335,"spacegroup":8},{"id":"jvasp-112389","created_at":"2022-09-04T14:38:40.248886Z","updated_at":"2022-09-04T14:38:40.248902Z","structure_string":"V4 Pb8 N12\n1.0\n6.231629 -0.003978 0.000000\n9.834747 5.080385 0.000000\n-0.000000 -0.000000 12.632525\nV Pb N\n4 8 12\ndirect\n0.000000 0.254061 0.837529 V\n0.000001 0.745938 0.162471 V\n0.000000 0.245939 0.337529 V\n0.000001 0.754060 0.662471 V\n0.000001 0.364800 0.075542 Pb\n0.000002 0.864800 0.424457 Pb\n0.000000 0.135199 0.575542 Pb\n0.000001 0.635199 0.924457 Pb\n0.000000 0.062027 0.130508 Pb\n0.000001 0.562026 0.369492 Pb\n0.000001 0.437973 0.630508 Pb\n0.000002 0.937972 0.869491 Pb\n0.500001 0.519944 0.250000 N\n0.000000 0.148875 0.949902 N\n0.000002 0.851124 0.050098 N\n0.000001 0.351125 0.449902 N\n0.000001 0.648874 0.550097 N\n0.000001 0.407903 0.884935 N\n0.000001 0.592096 0.115064 N\n0.000000 0.092097 0.384935 N\n0.000002 0.907902 0.615064 N\n0.500001 0.480054 0.750000 N\n0.500000 0.019945 0.250000 N\n0.500002 0.980054 0.750000 N\n","nsites":24,"nelements":3,"elements":["V","Pb","N"],"chemical_system":"N-Pb-V","density":8.415926905249993,"density_atomic":0.05993582856897474,"volume":400.42826758256234,"volume_molar":10.047647465271398,"formula_full":"V4 Pb8 N12","formula_reduced":"VPb2N3","formula_anonymous":"AB2C3","energy_above_hull":3.730620931666666,"spacegroup":64},{"id":"jvasp-20963","created_at":"2022-09-04T14:38:34.437353Z","updated_at":"2022-09-04T14:38:34.437372Z","structure_string":"Ni8 Mo12 N4\n1.0\n6.656191 0.000000 0.000000\n-0.000000 6.656191 -0.000000\n0.000000 0.000000 6.656191\nNi Mo N\n8 12 4\ndirect\n0.933714 0.566286 0.433714 Ni\n0.183714 0.816286 0.316286 Ni\n0.433714 0.933714 0.566286 Ni\n0.683714 0.683714 0.683714 Ni\n0.816286 0.316286 0.183714 Ni\n0.316286 0.183714 0.816286 Ni\n0.566286 0.433714 0.933714 Ni\n0.066286 0.066286 0.066286 Ni\n0.799028 0.950972 0.375000 Mo\n0.125000 0.200972 0.450972 Mo\n0.375000 0.799028 0.950972 Mo\n0.875000 0.700972 0.049028 Mo\n0.625000 0.299028 0.549028 Mo\n0.700972 0.049028 0.875000 Mo\n0.299028 0.549028 0.625000 Mo\n0.950972 0.375000 0.799028 Mo\n0.450972 0.125000 0.200972 Mo\n0.049028 0.875000 0.700972 Mo\n0.200972 0.450972 0.125000 Mo\n0.549028 0.625000 0.299028 Mo\n0.125000 0.625000 0.875000 N\n0.875000 0.125000 0.625000 N\n0.625000 0.875000 0.125000 N\n0.375000 0.375000 0.375000 N\n","nsites":24,"nelements":3,"elements":["Ni","Mo","N"],"chemical_system":"Mo-N-Ni","density":9.442065784422557,"density_atomic":0.0813830412025699,"volume":294.90173438298757,"volume_molar":7.399748978427011,"formula_full":"Ni8 Mo12 N4","formula_reduced":"Ni2Mo3N","formula_anonymous":"AB2C3","energy_above_hull":4.604309291666668,"spacegroup":213},{"id":"jvasp-103429","created_at":"2022-09-04T14:38:40.212670Z","updated_at":"2022-09-04T14:38:40.212686Z","structure_string":"Sc2 Ga3 Cu1\n1.0\n3.245812 0.000000 0.000000\n0.000000 4.282328 0.000000\n0.000000 0.000000 7.403481\nSc Ga Cu\n2 3 1\ndirect\n0.000000 0.000000 0.001861 Sc\n0.000000 0.500000 0.499471 Sc\n0.500000 0.500000 0.836613 Ga\n0.500000 0.500000 0.176995 Ga\n0.500000 0.000000 0.655832 Ga\n0.500000 0.000000 0.329229 Cu\n","nsites":6,"nelements":3,"elements":["Sc","Ga","Cu"],"chemical_system":"Cu-Ga-Sc","density":5.85153446784869,"density_atomic":0.058305831627426884,"volume":102.90565853412197,"volume_molar":10.328539344882962,"formula_full":"Sc2 Ga3 Cu1","formula_reduced":"Sc2Ga3Cu","formula_anonymous":"AB2C3","energy_above_hull":0.5490713208333334,"spacegroup":25},{"id":"jvasp-56369","created_at":"2022-09-04T14:38:34.059160Z","updated_at":"2022-09-04T14:38:34.059178Z","structure_string":"K8 Ag4 I12\n1.0\n4.746446 -0.000000 0.000000\n-0.000000 9.972472 0.000000\n0.000000 0.000000 19.415636\nK Ag I\n8 4 12\ndirect\n0.750001 0.749019 0.462456 K\n0.250000 0.250981 0.537544 K\n0.750001 0.249019 0.037544 K\n0.250000 0.750981 0.962456 K\n0.750001 0.426578 0.787236 K\n0.250000 0.073422 0.287236 K\n0.750001 0.926578 0.712765 K\n0.250000 0.573422 0.212764 K\n0.750001 0.368026 0.363020 Ag\n0.750001 0.868026 0.136980 Ag\n0.250000 0.631974 0.636980 Ag\n0.250000 0.131974 0.863020 Ag\n0.250000 0.694615 0.780272 I\n0.750001 0.989000 0.901805 I\n0.250000 0.511000 0.401805 I\n0.250000 0.194615 0.719728 I\n0.750001 0.305384 0.219728 I\n0.250000 0.386955 0.928916 I\n0.750001 0.613045 0.071084 I\n0.250000 0.011000 0.098195 I\n0.750001 0.113045 0.428916 I\n0.250000 0.886955 0.571084 I\n0.750001 0.805384 0.280272 I\n0.750001 0.489000 0.598195 I\n","nsites":24,"nelements":3,"elements":["K","Ag","I"],"chemical_system":"Ag-I-K","density":4.096370621885985,"density_atomic":0.02611489298290193,"volume":919.0158280837451,"volume_molar":23.06017782245114,"formula_full":"K8 Ag4 I12","formula_reduced":"K2AgI3","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-110593","created_at":"2022-09-04T14:38:38.409205Z","updated_at":"2022-09-04T14:38:38.409225Z","structure_string":"Er2 Ga3 Cu1\n1.0\n4.332079 0.000000 -0.000000\n-2.166040 3.751691 0.000000\n-0.000000 -0.000000 7.121416\nEr Ga Cu\n2 3 1\ndirect\n0.333333 0.666667 0.731685 Er\n0.333333 0.666667 0.261608 Er\n0.666667 0.333333 0.478335 Ga\n0.666667 0.333333 0.046615 Ga\n0.000000 0.000000 0.948263 Ga\n0.000000 0.000000 0.533496 Cu\n","nsites":6,"nelements":3,"elements":["Er","Ga","Cu"],"chemical_system":"Cu-Er-Ga","density":8.711936021782481,"density_atomic":0.05183957890966316,"volume":115.74168089705624,"volume_molar":11.61687823601793,"formula_full":"Er2 Ga3 Cu1","formula_reduced":"Er2Ga3Cu","formula_anonymous":"AB2C3","energy_above_hull":0.1507553486111111,"spacegroup":156},{"id":"jvasp-110531","created_at":"2022-09-04T14:38:38.706179Z","updated_at":"2022-09-04T14:38:38.706190Z","structure_string":"U2 Si3 Ni1\n1.0\n3.899542 0.000000 0.000000\n0.000000 4.022503 0.000000\n0.000000 0.000000 6.897743\nU Si Ni\n2 3 1\ndirect\n0.000000 0.500000 0.000610 U\n0.000000 0.000000 0.501207 U\n0.500000 0.000000 0.835340 Si\n0.500000 0.000000 0.175003 Si\n0.500000 0.500000 0.657816 Si\n0.500000 0.500000 0.330022 Ni\n","nsites":6,"nelements":3,"elements":["U","Si","Ni"],"chemical_system":"Ni-Si-U","density":9.50009995592704,"density_atomic":0.055454176747682535,"volume":108.197440695948,"volume_molar":10.859670295712519,"formula_full":"U2 Si3 Ni1","formula_reduced":"U2Si3Ni","formula_anonymous":"AB2C3","energy_above_hull":4.0793217,"spacegroup":25}]}