{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3376","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3374","results":[{"id":"jvasp-25888","created_at":"2022-09-04T14:37:58.003820Z","updated_at":"2022-09-04T14:37:58.003843Z","structure_string":"Ta4 Sn2 O12\n1.0\n4.906068 0.000103 -0.000362\n-0.000278 5.599299 0.008330\n-2.452182 -0.204224 8.684375\nTa Sn O\n4 2 12\ndirect\n0.073438 0.838041 0.660827 Ta\n0.587411 0.338047 0.660825 Ta\n0.413236 0.665889 0.340465 Ta\n0.927207 0.165897 0.340463 Ta\n0.235158 0.251962 0.000642 Sn\n0.765489 0.751953 0.000652 Sn\n0.843347 0.149932 0.562750 O\n0.992237 0.097559 0.146348 O\n0.281248 0.353999 0.438543 O\n0.008395 0.906356 0.854937 O\n0.154104 0.597559 0.146353 O\n0.719406 0.649933 0.562746 O\n0.602826 0.931316 0.287460 O\n0.157290 0.854000 0.438539 O\n0.316037 0.572641 0.713833 O\n0.684629 0.431318 0.287458 O\n0.846550 0.406357 0.854932 O\n0.397799 0.072642 0.713831 O\n","nsites":18,"nelements":3,"elements":["Ta","Sn","O"],"chemical_system":"O-Sn-Ta","density":8.026818171343832,"density_atomic":0.07545023072670565,"volume":238.56785892675728,"volume_molar":7.981606818159749,"formula_full":"Ta4 Sn2 O12","formula_reduced":"Ta2SnO6","formula_anonymous":"AB2C6","energy_above_hull":3.418266788888889,"spacegroup":15},{"id":"jvasp-17837","created_at":"2022-09-04T14:37:28.414552Z","updated_at":"2022-09-04T14:37:28.414573Z","structure_string":"Mn2 V2 As2\n1.0\n3.531281 0.000000 0.000000\n0.000000 3.531281 0.000000\n0.000000 0.000000 6.377041\nMn V As\n2 2 2\ndirect\n0.000000 0.500000 0.334805 Mn\n0.500000 0.000000 0.665195 Mn\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.704797 As\n0.500000 0.000000 0.295203 As\n","nsites":6,"nelements":3,"elements":["Mn","V","As"],"chemical_system":"As-Mn-V","density":7.550861510424406,"density_atomic":0.0754514318326185,"volume":79.52135372739384,"volume_molar":7.981479759535273,"formula_full":"Mn2 V2 As2","formula_reduced":"MnVAs","formula_anonymous":"ABC","energy_above_hull":3.17502773045977,"spacegroup":129},{"id":"jvasp-23408","created_at":"2022-09-04T14:37:47.315927Z","updated_at":"2022-09-04T14:37:47.315959Z","structure_string":"Mn4 Nb4 P4\n1.0\n3.671065 0.000000 0.000000\n-0.000000 6.139382 0.000000\n0.000000 0.000000 7.056590\nMn Nb P\n4 4 4\ndirect\n0.749999 0.851269 0.560291 Mn\n0.250000 0.148730 0.439709 Mn\n0.749999 0.351270 0.939709 Mn\n0.250000 0.648730 0.060291 Mn\n0.250000 0.522558 0.677939 Nb\n0.749999 0.477441 0.322061 Nb\n0.250000 0.022559 0.822061 Nb\n0.749999 0.977441 0.177939 Nb\n0.250000 0.280981 0.121095 P\n0.749999 0.719019 0.878905 P\n0.250000 0.780981 0.378905 P\n0.749999 0.219019 0.621095 P\n","nsites":12,"nelements":3,"elements":["Mn","Nb","P"],"chemical_system":"Mn-Nb-P","density":7.46808341993547,"density_atomic":0.07545180442604911,"volume":159.04192207571776,"volume_molar":7.981440345674366,"formula_full":"Mn4 Nb4 P4","formula_reduced":"MnNbP","formula_anonymous":"ABC","energy_above_hull":3.509730713793102,"spacegroup":62},{"id":"jvasp-119122","created_at":"2022-09-04T14:38:51.164954Z","updated_at":"2022-09-04T14:38:51.164980Z","structure_string":"Y3 Sn4 Bi1 O14\n1.0\n6.449330 -0.000156 3.690000\n2.139972 6.083944 3.690000\n-0.000220 -0.000156 7.430340\nY Sn Bi O\n3 4 1 14\ndirect\n0.000000 0.499999 0.500000 Y\n0.500000 0.499999 0.000000 Y\n0.500000 -0.000001 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.000000 Sn\n0.000000 -0.000000 0.500000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.500000 0.499999 0.500000 Bi\n0.087905 0.087905 0.662472 O\n0.662621 0.662620 0.081447 O\n0.662472 0.087905 0.087905 O\n0.081447 0.662620 0.662621 O\n0.337380 0.918552 0.337380 O\n0.912095 0.337527 0.912095 O\n0.918553 0.337379 0.337380 O\n0.337380 0.337379 0.918553 O\n0.337529 0.912093 0.912095 O\n0.087905 0.662471 0.087905 O\n0.629873 0.629871 0.629873 O\n0.370128 0.370127 0.370128 O\n0.912095 0.912093 0.337529 O\n0.662621 0.081446 0.662621 O\n","nsites":22,"nelements":4,"elements":["Y","Sn","Bi","O"],"chemical_system":"Bi-O-Sn-Y","density":6.689440628510044,"density_atomic":0.07545698342441721,"volume":291.5568447291122,"volume_molar":7.980892538637171,"formula_full":"Y3 Sn4 Bi1 O14","formula_reduced":"Y3Sn4BiO14","formula_anonymous":"AB3C4D14","energy_above_hull":2.4867493840909094,"spacegroup":166},{"id":"jvasp-100890","created_at":"2022-09-04T14:36:41.415510Z","updated_at":"2022-09-04T14:36:41.415532Z","structure_string":"Na2 Ga1 Cu1 F6\n1.0\n4.956027 -0.000000 2.861364\n1.652009 4.672587 2.861364\n-0.000000 -0.000000 5.722727\nNa Ga Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Cu\n0.236927 0.236927 0.763073 F\n0.236927 0.763073 0.763072 F\n0.763073 0.763073 0.236926 F\n0.236927 0.763073 0.236926 F\n0.763073 0.236927 0.763072 F\n0.763073 0.236927 0.236926 F\n","nsites":10,"nelements":4,"elements":["Na","Ga","Cu","F"],"chemical_system":"Cu-F-Ga-Na","density":3.67431745619149,"density_atomic":0.07545810793621407,"volume":132.5238635515902,"volume_molar":7.980773603667097,"formula_full":"Na2 Ga1 Cu1 F6","formula_reduced":"Na2GaCuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-8356","created_at":"2022-09-04T14:37:06.580791Z","updated_at":"2022-09-04T14:37:06.580809Z","structure_string":"Mg1 W1 F6\n1.0\n4.607925 0.090292 3.066943\n1.689464 4.287986 3.066943\n0.129870 0.090292 5.533736\nMg W F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 W\n0.376299 0.123140 0.751438 F\n0.123140 0.751438 0.376298 F\n0.248562 0.623702 0.876859 F\n0.876860 0.248562 0.623701 F\n0.623701 0.876859 0.248562 F\n0.751438 0.376298 0.123140 F\n","nsites":8,"nelements":3,"elements":["Mg","W","F"],"chemical_system":"F-Mg-W","density":5.045674783074376,"density_atomic":0.07546084527759878,"volume":106.0152449998446,"volume_molar":7.98048410118688,"formula_full":"Mg1 W1 F6","formula_reduced":"MgWF6","formula_anonymous":"ABC6","energy_above_hull":0.5454263431250002,"spacegroup":148},{"id":"jvasp-71739","created_at":"2022-09-04T14:35:54.179458Z","updated_at":"2022-09-04T14:35:54.179475Z","structure_string":"Be1 Nb1 Cu2\n1.0\n3.628370 0.000000 -0.000000\n0.000000 3.628370 -0.000000\n0.000000 0.000000 4.025972\nBe Nb Cu\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Be","Nb","Cu"],"chemical_system":"Be-Cu-Nb","density":7.17481528953158,"density_atomic":0.0754685674549648,"volume":53.00219859595141,"volume_molar":7.979667513357343,"formula_full":"Be1 Nb1 Cu2","formula_reduced":"BeNbCu2","formula_anonymous":"ABC2","energy_above_hull":1.6793116,"spacegroup":123},{"id":"jvasp-9949","created_at":"2022-09-04T14:37:15.892301Z","updated_at":"2022-09-04T14:37:15.892332Z","structure_string":"Mo2 F10\n1.0\n3.574547 -0.000000 -0.000000\n-1.787273 5.400660 0.000000\n-0.000000 -0.000000 8.236551\nMo F\n2 10\ndirect\n0.500000 0.000000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.466426 0.932850 0.250000 F\n0.533575 0.067150 0.750000 F\n0.081346 0.162690 0.579249 F\n0.918656 0.837310 0.420751 F\n0.340929 0.681857 0.910372 F\n0.659072 0.318143 0.089627 F\n0.659072 0.318143 0.410373 F\n0.340929 0.681857 0.589627 F\n0.081346 0.162690 0.920751 F\n0.918656 0.837310 0.079249 F\n","nsites":12,"nelements":2,"elements":["Mo","F"],"chemical_system":"F-Mo","density":3.987903224580871,"density_atomic":0.07546889746552475,"volume":159.0059004834643,"volume_molar":7.9796326198497844,"formula_full":"Mo2 F10","formula_reduced":"MoF5","formula_anonymous":"AB5","energy_above_hull":0.5916028854166664,"spacegroup":63},{"id":"jvasp-122986","created_at":"2022-09-04T14:38:55.266916Z","updated_at":"2022-09-04T14:38:55.266930Z","structure_string":"V1 Si1\n1.0\n2.981399 -0.000000 0.000000\n0.000000 2.981399 -0.000000\n0.000000 0.000000 2.981399\nV Si\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Si\n","nsites":2,"nelements":2,"elements":["V","Si"],"chemical_system":"Si-V","density":4.9518136057214415,"density_atomic":0.07546919043173345,"volume":26.500880538915066,"volume_molar":7.979601643464559,"formula_full":"V1 Si1","formula_reduced":"VSi","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":221},{"id":"jvasp-101229","created_at":"2022-09-04T14:37:00.526410Z","updated_at":"2022-09-04T14:37:00.526427Z","structure_string":"Ba1 Sr1 Mg1 Te1 O6\n1.0\n4.955637 -0.000000 2.861139\n1.651879 4.672220 2.861139\n-0.000000 -0.000000 5.722277\nBa Sr Mg Te O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Te\n0.741302 0.741302 0.258699 O\n0.258699 0.741302 0.258699 O\n0.741302 0.258698 0.258699 O\n0.258699 0.258698 0.741302 O\n0.741302 0.258698 0.741302 O\n0.258699 0.741302 0.741302 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Mg","Te","O"],"chemical_system":"Ba-Mg-O-Sr-Te","density":5.926241880798054,"density_atomic":0.07547590897274108,"volume":132.49260772217536,"volume_molar":7.97889133362403,"formula_full":"Ba1 Sr1 Mg1 Te1 O6","formula_reduced":"BaSrMgTeO6","formula_anonymous":"ABCDE6","energy_above_hull":1.3913850096666665,"spacegroup":216},{"id":"jvasp-86464","created_at":"2022-09-04T14:35:47.128033Z","updated_at":"2022-09-04T14:35:47.128062Z","structure_string":"Nd3 Co13 B2\n1.0\n5.060549 -0.000000 -0.000000\n-2.530274 4.382563 -0.000000\n-0.000000 -0.000000 10.752488\nNd Co B\n3 13 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.676710 Nd\n0.000000 0.000000 0.323291 Nd\n0.500000 0.500000 0.864409 Co\n0.500000 0.000000 0.864409 Co\n0.000000 0.500000 0.135591 Co\n0.500000 0.500000 0.135591 Co\n0.500000 0.000000 0.135591 Co\n0.333333 0.666667 0.680881 Co\n0.666667 0.333333 0.680881 Co\n0.333333 0.666667 0.319119 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.864409 Co\n0.666667 0.333333 0.319119 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n","nsites":18,"nelements":3,"elements":["Nd","Co","B"],"chemical_system":"B-Co-Nd","density":8.498549929235274,"density_atomic":0.07548101583315192,"volume":238.47055847510526,"volume_molar":7.978351501404971,"formula_full":"Nd3 Co13 B2","formula_reduced":"Nd3Co13B2","formula_anonymous":"A2B3C13","energy_above_hull":3.941646187037037,"spacegroup":191},{"id":"jvasp-110120","created_at":"2022-09-04T14:38:03.135163Z","updated_at":"2022-09-04T14:38:03.135183Z","structure_string":"Zn3 Cd1 O4\n1.0\n3.331527 0.000000 0.000000\n-1.665764 2.885187 0.000000\n-0.000000 -0.000000 11.026302\nZn Cd O\n3 1 4\ndirect\n0.666668 0.333334 0.251213 Zn\n0.000000 0.000000 0.014571 Zn\n0.000000 0.000000 0.487641 Zn\n0.666668 0.333334 0.756386 Cd\n0.666668 0.333334 0.958459 O\n0.666668 0.333334 0.431294 O\n0.000000 0.000000 0.665631 O\n0.000000 0.000000 0.194805 O\n","nsites":8,"nelements":3,"elements":["Zn","Cd","O"],"chemical_system":"Cd-O-Zn","density":5.838297930271654,"density_atomic":0.07548189587267086,"volume":105.98567918186721,"volume_molar":7.9782584822175755,"formula_full":"Zn3 Cd1 O4","formula_reduced":"Zn3CdO4","formula_anonymous":"AB3C4","energy_above_hull":0.2564068687499999,"spacegroup":156}]}