{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=604","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=602","results":[{"id":"jvasp-73956","created_at":"2022-09-04T14:36:00.764662Z","updated_at":"2022-09-04T14:36:00.764694Z","structure_string":"Be1 V2 Ir1\n1.0\n2.952453 0.000000 0.000000\n0.000000 2.952453 0.000000\n0.000000 -0.000000 5.721244\nBe V Ir\n1 2 1\ndirect\n0.000000 0.000000 0.509999 Be\n0.000000 0.000000 0.009320 V\n0.500000 0.500000 0.258397 V\n0.500000 0.500000 0.722282 Ir\n","nsites":4,"nelements":3,"elements":["Be","V","Ir"],"chemical_system":"Be-Ir-V","density":10.092436666453342,"density_atomic":0.08020538645031534,"volume":49.871962183959695,"volume_molar":7.508399406230057,"formula_full":"Be1 V2 Ir1","formula_reduced":"BeV2Ir","formula_anonymous":"ABC2","energy_above_hull":3.7144114,"spacegroup":99},{"id":"jvasp-90870","created_at":"2022-09-04T14:36:00.764666Z","updated_at":"2022-09-04T14:36:00.764689Z","structure_string":"Pr2 Mn2 Si4\n1.0\n0.000000 -0.000000 -4.013867\n-4.119194 0.000000 0.000000\n2.059597 8.857040 -0.000000\nPr Mn Si\n2 2 4\ndirect\n0.750001 0.102006 0.204011 Pr\n0.250000 0.897992 0.795989 Pr\n0.750001 0.750295 0.500592 Mn\n0.250000 0.249703 0.499408 Mn\n0.750001 0.319805 0.639611 Si\n0.250000 0.680194 0.360389 Si\n0.750001 0.463011 0.926025 Si\n0.250000 0.536987 0.073975 Si\n","nsites":8,"nelements":3,"elements":["Pr","Mn","Si"],"chemical_system":"Mn-Pr-Si","density":5.715372945803948,"density_atomic":0.05462936554647164,"volume":146.44138587321922,"volume_molar":11.02363298522502,"formula_full":"Pr2 Mn2 Si4","formula_reduced":"PrMnSi2","formula_anonymous":"ABC2","energy_above_hull":2.907326072844827,"spacegroup":63},{"id":"jvasp-67606","created_at":"2022-09-04T14:36:00.765157Z","updated_at":"2022-09-04T14:36:00.765173Z","structure_string":"K1 Be1 Se2\n1.0\n3.383301 0.000000 0.000000\n0.000000 3.383301 0.000000\n0.000000 0.000000 8.112309\nK Be Se\n1 1 2\ndirect\n0.500000 0.500000 0.777578 K\n0.000000 0.000000 0.300032 Be\n0.000000 0.000000 0.032391 Se\n0.500000 0.500000 0.390001 Se\n","nsites":4,"nelements":3,"elements":["K","Be","Se"],"chemical_system":"Be-K-Se","density":3.6842985664222323,"density_atomic":0.04307588733695895,"volume":92.8593755645752,"volume_molar":13.980305763389408,"formula_full":"K1 Be1 Se2","formula_reduced":"KBeSe2","formula_anonymous":"ABC2","energy_above_hull":0.7985427083333332,"spacegroup":99},{"id":"jvasp-66259","created_at":"2022-09-04T14:36:00.773190Z","updated_at":"2022-09-04T14:36:00.773219Z","structure_string":"Ba1 Ca1 Pb1\n1.0\n0.000000 3.956086 3.956086\n3.956086 -0.000000 3.956086\n3.956086 3.956086 0.000000\nBa Ca Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 Pb\n","nsites":3,"nelements":3,"elements":["Ba","Ca","Pb"],"chemical_system":"Ba-Ca-Pb","density":5.157471724965674,"density_atomic":0.02422669026991066,"volume":123.83036917452873,"volume_molar":24.857463784392568,"formula_full":"Ba1 Ca1 Pb1","formula_reduced":"BaCaPb","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-91234","created_at":"2022-09-04T14:36:00.773408Z","updated_at":"2022-09-04T14:36:00.773434Z","structure_string":"K6 C60\n1.0\n9.253157 -0.000000 -3.271485\n-4.626578 8.013470 -3.271485\n-0.000000 -0.000000 9.814455\nK C\n6 60\ndirect\n0.219146 0.719146 0.500001 K\n0.780854 0.280854 0.500001 K\n0.280854 0.500000 0.780855 K\n0.500000 0.780854 0.280855 K\n0.719146 0.500000 0.219146 K\n0.500000 0.219146 0.719146 K\n0.165498 0.395462 0.023352 C\n0.372111 0.142146 0.976649 C\n0.433783 0.292939 0.268206 C\n0.165579 0.731795 0.024735 C\n0.140845 0.975265 0.707062 C\n0.834421 0.859155 0.566218 C\n0.731795 0.024735 0.165580 C\n0.707062 0.140845 0.975266 C\n0.859155 0.566217 0.834422 C\n0.268205 0.433783 0.292939 C\n0.292939 0.268205 0.433784 C\n0.024735 0.165579 0.731795 C\n0.975266 0.707061 0.140846 C\n0.834503 0.857854 0.229965 C\n0.834421 0.268205 0.975267 C\n0.859156 0.024735 0.292939 C\n0.165579 0.140845 0.433784 C\n0.268205 0.975265 0.834422 C\n0.292939 0.859155 0.024735 C\n0.140845 0.433783 0.165580 C\n0.731795 0.566217 0.707062 C\n0.707061 0.731795 0.566218 C\n0.975266 0.834421 0.268206 C\n0.024734 0.292939 0.859156 C\n0.433783 0.165579 0.140845 C\n0.566217 0.834421 0.859156 C\n0.566217 0.707061 0.731796 C\n0.309031 0.372119 0.063089 C\n0.976649 0.372111 0.142147 C\n0.245942 0.936912 0.309031 C\n0.936912 0.690969 0.627882 C\n0.754058 0.063088 0.690970 C\n0.936912 0.309031 0.245943 C\n0.627881 0.936912 0.690970 C\n0.063088 0.690969 0.754058 C\n0.063088 0.309031 0.372119 C\n0.372119 0.063088 0.309031 C\n0.309031 0.245942 0.936912 C\n0.690969 0.627881 0.936913 C\n0.690969 0.754058 0.063089 C\n0.372111 0.395462 0.229965 C\n0.142146 0.770036 0.165498 C\n0.976649 0.834502 0.604539 C\n0.857854 0.023351 0.627890 C\n0.770036 0.165498 0.142147 C\n0.604538 0.976649 0.834504 C\n0.023351 0.627889 0.857854 C\n0.229964 0.372111 0.395462 C\n0.395462 0.229964 0.372111 C\n0.165498 0.142146 0.770036 C\n0.834503 0.604538 0.976650 C\n0.627889 0.857854 0.023352 C\n0.627890 0.604538 0.770037 C\n0.857854 0.229964 0.834503 C\n0.023351 0.165498 0.395462 C\n0.142146 0.976649 0.372111 C\n0.229964 0.834502 0.857855 C\n0.395462 0.023351 0.165498 C\n0.770036 0.627889 0.604539 C\n0.604538 0.770036 0.627890 C\n","nsites":66,"nelements":2,"elements":["K","C"],"chemical_system":"C-K","density":2.1796217592626514,"density_atomic":0.09069162864937311,"volume":727.7408177899804,"volume_molar":6.640238850801172,"formula_full":"K6 C60","formula_reduced":"KC10","formula_anonymous":"AB10","energy_above_hull":6.552472545454545,"spacegroup":204},{"id":"jvasp-5353","created_at":"2022-09-04T14:36:00.776854Z","updated_at":"2022-09-04T14:36:00.776889Z","structure_string":"Al2 P2 S8\n1.0\n5.695531 0.000000 0.000000\n0.000000 5.697591 0.000000\n0.000000 0.000000 9.367187\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.212321 0.275747 0.117277 S\n0.212321 0.724252 0.882723 S\n0.787679 0.275747 0.882723 S\n0.787679 0.724252 0.117277 S\n0.774380 0.791612 0.619776 S\n0.774380 0.208388 0.380224 S\n0.225620 0.791612 0.380224 S\n0.225620 0.208388 0.619776 S\n","nsites":12,"nelements":3,"elements":["Al","P","S"],"chemical_system":"Al-P-S","density":2.034509747665225,"density_atomic":0.03947722032332116,"volume":303.9727696559983,"volume_molar":15.254723383962322,"formula_full":"Al2 P2 S8","formula_reduced":"AlPS4","formula_anonymous":"ABC4","energy_above_hull":2.160674716666667,"spacegroup":16},{"id":"jvasp-67917","created_at":"2022-09-04T14:36:00.779308Z","updated_at":"2022-09-04T14:36:00.779340Z","structure_string":"Li1 Be1 V2\n1.0\n-1.770188 1.770188 3.779582\n1.770188 -1.770188 3.779582\n1.770188 1.770188 -3.779582\nLi Be V\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Li\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750001 0.500001 V\n","nsites":4,"nelements":3,"elements":["Li","Be","V"],"chemical_system":"Be-Li-V","density":4.130334376124733,"density_atomic":0.08443401537733346,"volume":47.37427187519275,"volume_molar":7.132363340872996,"formula_full":"Li1 Be1 V2","formula_reduced":"LiBeV2","formula_anonymous":"ABC2","energy_above_hull":2.8967136250000003,"spacegroup":119},{"id":"jvasp-61805","created_at":"2022-09-04T14:36:00.779902Z","updated_at":"2022-09-04T14:36:00.779930Z","structure_string":"Na1 Zn4 As3\n1.0\n11.075426 -2.092482 0.001652\n11.075426 2.092482 0.001652\n10.679556 0.000000 3.604252\nNa Zn As\n1 4 3\ndirect\n0.500001 0.500001 0.499999 Na\n0.907604 0.907604 0.907601 Zn\n0.092398 0.092398 0.092397 Zn\n0.699715 0.699715 0.699713 Zn\n0.300286 0.300286 0.300285 Zn\n0.774950 0.774950 0.774948 As\n0.225051 0.225051 0.225050 As\n0.000000 0.000000 0.000000 As\n","nsites":8,"nelements":3,"elements":["Na","Zn","As"],"chemical_system":"As-Na-Zn","density":5.065527399063329,"density_atomic":0.04790872995462936,"volume":166.9841802856427,"volume_molar":12.570027979666968,"formula_full":"Na1 Zn4 As3","formula_reduced":"NaZn4As3","formula_anonymous":"AB3C4","energy_above_hull":0.0091530874999999,"spacegroup":166},{"id":"jvasp-64614","created_at":"2022-09-04T14:36:00.781228Z","updated_at":"2022-09-04T14:36:00.781255Z","structure_string":"Ba4 Co1 Se1\n1.0\n0.000000 4.834658 4.834658\n4.834658 -0.000000 4.834658\n4.834658 4.834658 0.000000\nBa Co Se\n4 1 1\ndirect\n0.124671 0.625110 0.625110 Ba\n0.625110 0.625110 0.625110 Ba\n0.625110 0.124671 0.625110 Ba\n0.625110 0.625110 0.124671 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Se\n","nsites":6,"nelements":3,"elements":["Ba","Co","Se"],"chemical_system":"Ba-Co-Se","density":5.049004227118426,"density_atomic":0.026547521499042014,"volume":226.00979907734566,"volume_molar":22.6843803863849,"formula_full":"Ba4 Co1 Se1","formula_reduced":"Ba4CoSe","formula_anonymous":"ABC4","energy_above_hull":0.780029691111111,"spacegroup":216},{"id":"jvasp-69515","created_at":"2022-09-04T14:36:00.788843Z","updated_at":"2022-09-04T14:36:00.788869Z","structure_string":"Sc1 Be2 Si1\n1.0\n-1.899694 1.899694 3.682399\n1.899694 -1.899694 3.682399\n1.899694 1.899694 -3.682399\nSc Be Si\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Si\n","nsites":4,"nelements":3,"elements":["Sc","Be","Si"],"chemical_system":"Be-Sc-Si","density":2.8447634064657636,"density_atomic":0.07524919424638396,"volume":53.156715364991655,"volume_molar":8.002930556680862,"formula_full":"Sc1 Be2 Si1","formula_reduced":"ScBe2Si","formula_anonymous":"ABC2","energy_above_hull":2.3607665125,"spacegroup":139},{"id":"jvasp-92312","created_at":"2022-09-04T14:36:00.790128Z","updated_at":"2022-09-04T14:36:00.790145Z","structure_string":"Mg4 Sn4\n1.0\n5.974944 -0.000000 -0.000000\n-0.000000 5.974944 -0.000000\n-0.000000 -0.000000 5.974944\nMg Sn\n4 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n","nsites":8,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":4.45337392095288,"density_atomic":0.037504939507267604,"volume":213.30523672621263,"volume_molar":16.056927005129676,"formula_full":"Mg4 Sn4","formula_reduced":"MgSn","formula_anonymous":"AB","energy_above_hull":0.3383128714285714,"spacegroup":225},{"id":"jvasp-107980","created_at":"2022-09-04T14:36:00.790953Z","updated_at":"2022-09-04T14:36:00.790975Z","structure_string":"Sc2 Cu1 Rh1\n1.0\n3.955091 -0.000000 2.283473\n1.318364 3.728895 2.283473\n-0.000000 -0.000000 4.566945\nSc Cu Rh\n2 1 1\ndirect\n0.749999 0.750001 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500001 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Sc","Cu","Rh"],"chemical_system":"Cu-Rh-Sc","density":6.320371051562981,"density_atomic":0.05938784619767993,"volume":67.35384857510232,"volume_molar":10.14035892117479,"formula_full":"Sc2 Cu1 Rh1","formula_reduced":"Sc2CuRh","formula_anonymous":"ABC2","energy_above_hull":1.7415959875000002,"spacegroup":225}]}