{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=538","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=536","results":[{"id":"jvasp-106945","created_at":"2022-09-04T14:37:00.699553Z","updated_at":"2022-09-04T14:37:00.699577Z","structure_string":"Cs1 Yb3\n1.0\n5.270376 -0.125079 -4.464754\n-1.211373 5.130798 -4.464754\n0.101423 0.125079 6.906563\nYb Cs\n3 1\ndirect\n0.750000 0.250000 0.500001 Yb\n0.250000 0.750000 0.500001 Yb\n0.500001 0.500000 0.000001 Yb\n0.000000 0.000000 0.000000 Cs\n","nsites":4,"nelements":2,"elements":["Yb","Cs"],"chemical_system":"Cs-Yb","density":5.647509649397556,"density_atomic":0.020864276365149963,"volume":191.7152519452476,"volume_molar":28.86340582632862,"formula_full":"Cs1 Yb3","formula_reduced":"CsYb3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-103658","created_at":"2022-09-04T14:36:39.953522Z","updated_at":"2022-09-04T14:36:39.953543Z","structure_string":"Sm1 Hg2\n1.0\n5.009024 -0.000000 0.000000\n-2.504512 4.337941 0.000000\n-0.000000 -0.000000 3.437492\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666666 0.500000 Hg\n0.666666 0.333333 0.500000 Hg\n","nsites":3,"nelements":2,"elements":["Sm","Hg"],"chemical_system":"Hg-Sm","density":12.261614632542335,"density_atomic":0.040164540715576506,"volume":74.69275003651536,"volume_molar":14.993675149046355,"formula_full":"Sm1 Hg2","formula_reduced":"SmHg2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":191},{"id":"jvasp-7671","created_at":"2022-09-04T14:36:47.966757Z","updated_at":"2022-09-04T14:36:47.966781Z","structure_string":"Cd2 Se2\n1.0\n2.178876 -3.773924 -0.000000\n2.178876 3.773924 -0.000000\n-0.000000 -0.000000 7.136169\nCd Se\n2 2\ndirect\n0.666668 0.333334 0.499463 Cd\n0.333334 0.666668 -0.000537 Cd\n0.666668 0.333334 0.124677 Se\n0.333334 0.666668 0.624678 Se\n","nsites":4,"nelements":2,"elements":["Cd","Se"],"chemical_system":"Cd-Se","density":5.415448523021333,"density_atomic":0.03408310903474277,"volume":117.36018553714047,"volume_molar":17.668988923109406,"formula_full":"Cd2 Se2","formula_reduced":"CdSe","formula_anonymous":"AB","energy_above_hull":0.2691811222222222,"spacegroup":186},{"id":"jvasp-11986","created_at":"2022-09-04T14:37:00.446108Z","updated_at":"2022-09-04T14:37:00.446129Z","structure_string":"Nb2 Co6\n1.0\n5.182620 0.000010 0.000000\n-2.591301 4.488266 0.000000\n0.000000 0.000000 4.145063\nNb Co\n2 6\ndirect\n0.666667 0.333336 0.250000 Nb\n0.333341 0.666673 0.749998 Nb\n0.314953 0.157478 0.749998 Co\n0.842523 0.685041 0.749998 Co\n0.157476 0.842525 0.250000 Co\n0.685043 0.842525 0.250000 Co\n0.157472 0.314947 0.250000 Co\n0.842529 0.157481 0.749998 Co\n","nsites":8,"nelements":2,"elements":["Nb","Co"],"chemical_system":"Co-Nb","density":9.289879289479579,"density_atomic":0.08297178113059264,"volume":96.41832308515201,"volume_molar":7.258058918274286,"formula_full":"Nb2 Co6","formula_reduced":"NbCo3","formula_anonymous":"AB3","energy_above_hull":3.782678025,"spacegroup":194},{"id":"jvasp-29676","created_at":"2022-09-04T14:36:44.097168Z","updated_at":"2022-09-04T14:36:44.097187Z","structure_string":"Cd8 I16\n1.0\n4.286692 0.000000 -0.000000\n-2.143346 3.712385 0.000000\n-0.000000 0.000000 55.017869\nCd I\n8 16\ndirect\n0.000000 -0.000000 0.781240 Cd\n0.000000 -0.000000 0.406228 Cd\n0.000000 -0.000000 0.906214 Cd\n0.666666 0.333333 0.031256 Cd\n0.666666 0.333333 0.531254 Cd\n0.000000 -0.000000 0.156226 Cd\n0.000000 -0.000000 0.656240 Cd\n0.666666 0.333333 0.281257 Cd\n-0.000000 0.000000 -0.000241 I\n0.666666 0.333333 0.374732 I\n0.333332 0.666666 0.937750 I\n0.333332 0.666666 0.312789 I\n0.666666 0.333333 0.749733 I\n0.666666 0.333333 0.874715 I\n0.333332 0.666666 0.187761 I\n0.000000 -0.000000 0.249759 I\n0.333332 0.666666 0.437762 I\n0.333332 0.666666 0.062789 I\n0.333332 0.666666 0.687761 I\n0.666666 0.333333 0.124730 I\n0.333332 0.666666 0.562786 I\n0.333332 0.666666 0.812762 I\n0.666666 0.333333 0.624738 I\n0.000000 -0.000000 0.499758 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.556508934670269,"density_atomic":0.027411461224923293,"volume":875.546174028056,"volume_molar":21.969426257818373,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.00016,"spacegroup":156},{"id":"jvasp-11955","created_at":"2022-09-04T14:36:47.983594Z","updated_at":"2022-09-04T14:36:47.983617Z","structure_string":"Nb2 Ni6\n1.0\n4.264577 -0.000000 0.000000\n0.000000 4.563630 0.000000\n0.000000 0.000000 5.125474\nNb Ni\n2 6\ndirect\n0.250000 0.348541 0.749999 Nb\n0.750000 0.651459 0.250000 Nb\n0.250000 0.317589 0.250000 Ni\n0.750000 0.682411 0.749999 Ni\n0.750000 0.159201 0.499642 Ni\n0.250000 0.840799 0.500358 Ni\n0.250000 0.840799 0.999641 Ni\n0.750000 0.159201 0.000358 Ni\n","nsites":8,"nelements":2,"elements":["Nb","Ni"],"chemical_system":"Nb-Ni","density":8.955488587470878,"density_atomic":0.08019911308134506,"volume":99.7517265793911,"volume_molar":7.508986731426582,"formula_full":"Nb2 Ni6","formula_reduced":"NbNi3","formula_anonymous":"AB3","energy_above_hull":2.06997665,"spacegroup":59},{"id":"jvasp-102467","created_at":"2022-09-04T14:36:47.991055Z","updated_at":"2022-09-04T14:36:47.991075Z","structure_string":"Cd3 Se1\n1.0\n3.896385 0.043789 -5.577527\n-0.350203 3.880862 -5.577527\n-0.039567 -0.043789 6.803606\nCd Se\n3 1\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Se\n","nsites":4,"nelements":2,"elements":["Cd","Se"],"chemical_system":"Cd-Se","density":6.835854930689153,"density_atomic":0.03956479866002204,"volume":101.0999710720573,"volume_molar":15.22095641569643,"formula_full":"Cd3 Se1","formula_reduced":"Cd3Se","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-53015","created_at":"2022-09-04T14:37:04.700731Z","updated_at":"2022-09-04T14:37:04.700750Z","structure_string":"Fe4 O8\n1.0\n4.862160 0.001749 2.805709\n1.622388 4.583479 -2.805740\n-4.863426 -0.000000 2.807899\nFe O\n4 8\ndirect\n0.500000 0.500001 0.000001 Fe\n0.000001 0.000000 0.500000 Fe\n0.000002 0.500001 0.000001 Fe\n-0.000000 0.500001 0.500001 Fe\n0.762757 0.737244 0.025778 O\n0.211465 0.736978 0.474222 O\n0.237244 0.262756 0.974222 O\n0.236979 0.711465 0.974222 O\n0.788535 0.263023 0.525779 O\n0.237244 0.262756 0.525778 O\n0.763024 0.288534 0.025779 O\n0.762758 0.737244 0.474224 O\n","nsites":12,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":4.662747880874297,"density_atomic":0.0958965484532334,"volume":125.13484784962967,"volume_molar":6.279830564430442,"formula_full":"Fe4 O8","formula_reduced":"FeO2","formula_anonymous":"AB2","energy_above_hull":2.014240833333333,"spacegroup":227},{"id":"jvasp-49767","created_at":"2022-09-04T14:36:59.954901Z","updated_at":"2022-09-04T14:36:59.954922Z","structure_string":"Ti2 O2\n1.0\n-2.846616 -0.000627 0.000695\n1.422756 2.465578 -0.001796\n-0.001351 -0.003252 -5.550879\nTi O\n2 2\ndirect\n0.666630 0.333230 0.002773 Ti\n0.333295 0.666562 0.502776 Ti\n0.999965 0.999902 0.752781 O\n-0.000038 -0.000105 0.252776 O\n","nsites":4,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":5.444990979411712,"density_atomic":0.10268467340034601,"volume":38.95420677246388,"volume_molar":5.8646929094480695,"formula_full":"Ti2 O2","formula_reduced":"TiO","formula_anonymous":"AB","energy_above_hull":0.7370659166666669,"spacegroup":194},{"id":"jvasp-101603","created_at":"2022-09-04T14:36:48.475516Z","updated_at":"2022-09-04T14:36:48.475545Z","structure_string":"Pm3 Tm1\n1.0\n4.607242 -0.023801 -4.126627\n-0.935302 4.511369 -4.126627\n0.019475 0.023801 6.185091\nPm Tm\n3 1\ndirect\n0.750000 0.250000 0.500000 Pm\n0.250001 0.750000 0.500000 Pm\n0.500000 0.500000 -0.000000 Pm\n0.000000 0.000000 0.000000 Tm\n","nsites":4,"nelements":2,"elements":["Pm","Tm"],"chemical_system":"Pm-Tm","density":7.754358520581364,"density_atomic":0.030929089796442634,"volume":129.32808648187466,"volume_molar":19.470798525382563,"formula_full":"Pm3 Tm1","formula_reduced":"Pm3Tm","formula_anonymous":"AB3","energy_above_hull":1.52647194375,"spacegroup":139},{"id":"jvasp-8269","created_at":"2022-09-04T14:36:53.644628Z","updated_at":"2022-09-04T14:36:53.644638Z","structure_string":"V1 O2\n1.0\n5.124892 -0.468486 -0.277475\n4.564585 2.376673 -0.277475\n4.564585 0.898921 2.217544\nV O\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.599036 0.599034 0.599038 O\n0.400963 0.400962 0.400964 O\n","nsites":3,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":3.880083978428365,"density_atomic":0.08451770208255101,"volume":35.49552254827999,"volume_molar":7.125301104516534,"formula_full":"V1 O2","formula_reduced":"VO2","formula_anonymous":"AB2","energy_above_hull":1.9370604000000005,"spacegroup":166},{"id":"jvasp-106543","created_at":"2022-09-04T14:36:59.195287Z","updated_at":"2022-09-04T14:36:59.195310Z","structure_string":"La5 Mg1\n1.0\n6.348928 -0.000000 0.000000\n-3.174463 5.498333 0.000000\n0.000000 -0.000000 5.853755\nLa Mg\n5 1\ndirect\n0.333334 0.666666 0.500000 La\n0.000000 0.683807 -0.000000 La\n0.683807 0.000000 -0.000000 La\n0.316193 0.316193 -0.000000 La\n0.666667 0.333333 0.500000 La\n0.000000 0.000000 0.500000 Mg\n","nsites":6,"nelements":2,"elements":["La","Mg"],"chemical_system":"La-Mg","density":5.841316369739251,"density_atomic":0.02936197522085794,"volume":204.3459254654559,"volume_molar":20.509998781424066,"formula_full":"La5 Mg1","formula_reduced":"La5Mg","formula_anonymous":"AB5","energy_above_hull":1.688540476190476,"spacegroup":189}]}