{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=3571","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=3569","results":[{"id":"jvasp-116001","created_at":"2022-09-04T14:38:40.630027Z","updated_at":"2022-09-04T14:38:40.630059Z","structure_string":"Tl1 In1 F2\n1.0\n3.629941 0.000000 -0.000000\n0.000000 3.629941 0.000000\n0.000000 0.000000 6.098976\nTl In F\n1 1 2\ndirect\n0.500000 0.500000 0.531627 Tl\n0.000000 0.000000 0.001266 In\n0.000000 0.000000 0.369580 F\n0.500000 0.500000 0.107527 F\n","nsites":4,"nelements":3,"elements":["Tl","In","F"],"chemical_system":"F-In-Tl","density":7.380778779236848,"density_atomic":0.04977415943249308,"volume":80.36298444025071,"volume_molar":12.098930104821989,"formula_full":"Tl1 In1 F2","formula_reduced":"TlInF2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-116000","created_at":"2022-09-04T14:38:40.394221Z","updated_at":"2022-09-04T14:38:40.394241Z","structure_string":"Tl1 In1 F1\n1.0\n3.227714 0.000000 0.000000\n0.000000 3.227714 -0.000000\n0.000000 0.000000 7.916990\nTl In F\n1 1 1\ndirect\n0.000000 0.000000 0.013783 Tl\n0.000000 0.000000 0.580919 In\n0.000000 0.000000 0.311564 F\n","nsites":3,"nelements":3,"elements":["Tl","In","F"],"chemical_system":"F-In-Tl","density":6.8088243600209495,"density_atomic":0.03637232528505638,"volume":82.48029171873029,"volume_molar":16.556930888535206,"formula_full":"Tl1 In1 F1","formula_reduced":"TlInF","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-108056","created_at":"2022-09-04T14:36:12.045378Z","updated_at":"2022-09-04T14:36:12.045405Z","structure_string":"Tl1 In1 F6\n1.0\n4.807522 0.158587 3.418798\n1.848995 4.440568 3.418798\n0.229528 0.158587 5.894724\nTl In F\n1 1 6\ndirect\n0.499999 0.500001 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.590141 0.922770 0.243235 F\n0.243234 0.590143 0.922768 F\n0.922768 0.243236 0.590142 F\n0.756764 0.409859 0.077232 F\n0.077230 0.756766 0.409858 F\n0.409857 0.077232 0.756765 F\n","nsites":8,"nelements":3,"elements":["Tl","In","F"],"chemical_system":"F-In-Tl","density":6.037261938680714,"density_atomic":0.06714300315700039,"volume":119.14867706011914,"volume_molar":8.969126307797755,"formula_full":"Tl1 In1 F6","formula_reduced":"TlInF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":148},{"id":"jvasp-110654","created_at":"2022-09-04T14:38:36.505830Z","updated_at":"2022-09-04T14:38:36.505860Z","structure_string":"Tl1 In1 O2\n1.0\n3.252545 -0.004465 5.909891\n1.515397 2.877958 5.909891\n-0.007410 -0.004465 6.745799\nTl In O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.499999 0.500001 In\n0.224462 0.224461 0.224462 O\n0.775538 0.775536 0.775539 O\n","nsites":4,"nelements":3,"elements":["Tl","In","O"],"chemical_system":"In-O-Tl","density":9.20381310634425,"density_atomic":0.06312829418248136,"volume":63.363030029568485,"volume_molar":9.53952714545421,"formula_full":"Tl1 In1 O2","formula_reduced":"TlInO2","formula_anonymous":"ABC2","energy_above_hull":0.5950148925,"spacegroup":166},{"id":"jvasp-57275","created_at":"2022-09-04T14:38:34.319272Z","updated_at":"2022-09-04T14:38:34.319303Z","structure_string":"Tl2 In10 S14\n1.0\n0.000000 9.220332 -0.011768\n3.941399 0.000000 0.000000\n0.000000 -3.720690 -17.114957\nTl In S\n2 10 14\ndirect\n0.974213 0.250000 0.274780 Tl\n0.025787 0.750000 0.725221 Tl\n0.565864 0.250000 0.119583 In\n0.476509 0.750000 0.397466 In\n0.827652 0.250000 0.467548 In\n0.319705 0.250000 0.188858 In\n0.680295 0.750000 0.811143 In\n0.434136 0.750000 0.880417 In\n0.854883 0.750000 0.045853 In\n0.523491 0.250000 0.602534 In\n0.145117 0.250000 0.954148 In\n0.172348 0.750000 0.532453 In\n0.739684 0.250000 0.728119 S\n0.335718 0.750000 0.006670 S\n0.614995 0.250000 0.347203 S\n0.385005 0.750000 0.652797 S\n0.035785 0.250000 0.588909 S\n0.742895 0.750000 0.172456 S\n0.964215 0.750000 0.411091 S\n0.669641 0.750000 0.532994 S\n0.056912 0.250000 0.090154 S\n0.664282 0.250000 0.993331 S\n0.330359 0.250000 0.467007 S\n0.257105 0.250000 0.827544 S\n0.260316 0.750000 0.271881 S\n0.943088 0.750000 0.909846 S\n","nsites":26,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":5.353720842346675,"density_atomic":0.04179074283530434,"volume":622.1473521651666,"volume_molar":14.410226646922785,"formula_full":"Tl2 In10 S14","formula_reduced":"TlIn5S7","formula_anonymous":"AB5C7","energy_above_hull":0.912985573076923,"spacegroup":11},{"id":"jvasp-115148","created_at":"2022-09-04T14:38:43.412592Z","updated_at":"2022-09-04T14:38:43.412621Z","structure_string":"Tl1 In2 S2\n1.0\n-2.604436 2.604436 5.246828\n2.604436 -2.604436 5.246828\n2.604436 2.604436 -5.246828\nTl In S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.666063 0.666063 0.000000 S\n0.333937 0.333937 0.000000 S\n","nsites":5,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":5.810646074517632,"density_atomic":0.03512253111605226,"volume":142.35876063370674,"volume_molar":17.146089899106578,"formula_full":"Tl1 In2 S2","formula_reduced":"Tl(InS)2","formula_anonymous":"AB2C2","energy_above_hull":0.4220305079999998,"spacegroup":139},{"id":"jvasp-115149","created_at":"2022-09-04T14:38:44.548672Z","updated_at":"2022-09-04T14:38:44.548698Z","structure_string":"Tl1 In1 S1\n1.0\n3.097364 0.000000 0.000000\n0.000000 3.097364 0.000000\n0.000000 0.000000 8.943239\nTl In S\n1 1 1\ndirect\n0.000000 0.000000 0.693159 Tl\n0.000000 0.000000 0.293587 In\n0.000000 0.000000 0.004411 S\n","nsites":3,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":6.7983928023522,"density_atomic":0.03496567568111495,"volume":85.7984277884356,"volume_molar":17.223006970955154,"formula_full":"Tl1 In1 S1","formula_reduced":"TlInS","formula_anonymous":"ABC","energy_above_hull":0.2734808566666667,"spacegroup":99},{"id":"jvasp-7939","created_at":"2022-09-04T14:37:04.830600Z","updated_at":"2022-09-04T14:37:04.830616Z","structure_string":"Tl2 In2 S4\n1.0\n1.945778 -3.370187 -0.000000\n1.945778 3.370187 -0.000000\n0.000000 0.000000 14.924193\nTl In S\n2 2 4\ndirect\n0.666668 0.333333 0.250000 Tl\n0.333333 0.666668 0.750000 Tl\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666668 0.097376 S\n0.666668 0.333333 0.597375 S\n0.333333 0.666668 0.402624 S\n0.666668 0.333333 0.902624 S\n","nsites":8,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":6.50407042344168,"density_atomic":0.040871619527499445,"volume":195.73484223245424,"volume_molar":14.734284644502901,"formula_full":"Tl2 In2 S4","formula_reduced":"TlInS2","formula_anonymous":"ABC2","energy_above_hull":0.5125306425,"spacegroup":194},{"id":"jvasp-8539","created_at":"2022-09-04T14:37:05.148707Z","updated_at":"2022-09-04T14:37:05.148726Z","structure_string":"Tl1 In1 S2\n1.0\n3.754696 -0.016220 6.808763\n1.740353 3.327036 6.808763\n-0.026921 -0.016220 7.775362\nTl In S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.499999 In\n0.768380 0.768381 0.768378 S\n0.231620 0.231620 0.231620 S\n","nsites":4,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":6.483056017213429,"density_atomic":0.04073956486633498,"volume":98.18465202374776,"volume_molar":14.782044873965695,"formula_full":"Tl1 In1 S2","formula_reduced":"TlInS2","formula_anonymous":"ABC2","energy_above_hull":0.5126331424999999,"spacegroup":166},{"id":"jvasp-26915","created_at":"2022-09-04T14:38:35.624349Z","updated_at":"2022-09-04T14:38:35.624364Z","structure_string":"Tl2 In10 S12\n1.0\n0.000000 8.897689 -0.007781\n3.970540 0.000000 0.000000\n0.000000 -1.519241 -17.608886\nTl In S\n2 10 12\ndirect\n0.379542 0.750000 0.783626 Tl\n0.620458 0.250000 0.216374 Tl\n0.303456 0.750000 0.994910 In\n0.889648 0.250000 0.886918 In\n0.110353 0.750000 0.113082 In\n0.965913 0.250000 0.382882 In\n0.696544 0.250000 0.005090 In\n0.232191 0.250000 0.313291 In\n0.767810 0.750000 0.686709 In\n0.343125 0.250000 0.544953 In\n0.656875 0.750000 0.455047 In\n0.034088 0.750000 0.617119 In\n0.466578 0.250000 0.412128 S\n0.533423 0.750000 0.587873 S\n0.406757 0.250000 0.924705 S\n0.593243 0.750000 0.075295 S\n0.692597 0.250000 0.766861 S\n0.836889 0.250000 0.506217 S\n0.163111 0.750000 0.493783 S\n0.202115 0.250000 0.669374 S\n0.797885 0.750000 0.330626 S\n0.056154 0.750000 0.866890 S\n0.307404 0.750000 0.233139 S\n0.943846 0.250000 0.133110 S\n","nsites":24,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":5.182576632751412,"density_atomic":0.03857623126885287,"volume":622.1447562550783,"volume_molar":15.611013730266551,"formula_full":"Tl2 In10 S12","formula_reduced":"TlIn5S6","formula_anonymous":"AB5C6","energy_above_hull":0.7915785375,"spacegroup":11},{"id":"jvasp-51358","created_at":"2022-09-04T14:37:06.235206Z","updated_at":"2022-09-04T14:37:06.235235Z","structure_string":"Tl1 In1 S2\n1.0\n4.032607 -0.035463 0.040563\n-1.265112 4.855219 -0.123716\n-1.212915 -1.190473 5.783104\nTl In S\n1 1 2\ndirect\n0.990179 0.749549 0.820200 Tl\n0.778819 0.268219 0.209195 In\n0.345908 0.197514 0.531888 S\n0.385100 0.784720 0.438713 S\n","nsites":4,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":5.649578265200412,"density_atomic":0.03550198542037236,"volume":112.66975501895878,"volume_molar":16.962828102972157,"formula_full":"Tl1 In1 S2","formula_reduced":"TlInS2","formula_anonymous":"ABC2","energy_above_hull":0.6019281425,"spacegroup":1},{"id":"jvasp-55108","created_at":"2022-09-04T14:38:36.044017Z","updated_at":"2022-09-04T14:38:36.044031Z","structure_string":"Tl2 In10 Se14\n1.0\n0.000000 9.591629 -0.008749\n4.124665 0.000000 0.000000\n0.000000 -3.432614 -17.709581\nTl In Se\n2 10 14\ndirect\n0.022629 0.749999 0.727802 Tl\n0.977372 0.250000 0.272198 Tl\n0.852215 0.749999 0.047084 In\n0.483420 0.749999 0.397256 In\n0.566792 0.250000 0.123303 In\n0.147786 0.250000 0.952916 In\n0.516580 0.250000 0.602744 In\n0.679731 0.749999 0.813173 In\n0.171034 0.749999 0.533920 In\n0.320270 0.250000 0.186827 In\n0.828967 0.250000 0.466080 In\n0.433209 0.749999 0.876697 In\n0.257538 0.250000 0.821411 Se\n0.056317 0.250000 0.091699 Se\n0.029449 0.250000 0.591640 Se\n0.378742 0.749999 0.657487 Se\n0.738885 0.250000 0.727114 Se\n0.336604 0.749999 0.006845 Se\n0.261115 0.749999 0.272886 Se\n0.329544 0.250000 0.466413 Se\n0.663396 0.250000 0.993156 Se\n0.670457 0.749999 0.533587 Se\n0.621259 0.250000 0.342513 Se\n0.970551 0.749999 0.408360 Se\n0.943683 0.749999 0.908301 Se\n0.742462 0.749999 0.178589 Se\n","nsites":26,"nelements":3,"elements":["Tl","In","Se"],"chemical_system":"In-Se-Tl","density":6.308906629590986,"density_atomic":0.037102846680261106,"volume":700.7548564685234,"volume_molar":16.23093993810402,"formula_full":"Tl2 In10 Se14","formula_reduced":"TlIn5Se7","formula_anonymous":"AB5C7","energy_above_hull":0.5876504628205128,"spacegroup":11}]}