{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=571","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=569","results":[{"id":"jvasp-57703","created_at":"2022-09-04T14:38:18.427222Z","updated_at":"2022-09-04T14:38:18.427241Z","structure_string":"K2 Al2 F8\n1.0\n5.053531 -0.000000 0.000000\n0.000000 5.053531 0.000000\n-0.000000 -0.000000 6.209296\nK Al F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.691170 0.191170 0.000000 F\n0.808830 0.691170 0.000000 F\n0.191170 0.308830 0.000000 F\n0.308830 0.808830 0.000000 F\n0.000000 0.000000 0.288193 F\n0.500000 0.500000 0.711807 F\n0.000000 0.000000 0.711807 F\n0.500000 0.500000 0.288193 F\n","nsites":12,"nelements":3,"elements":["K","Al","F"],"chemical_system":"Al-F-K","density":2.9754988887706415,"density_atomic":0.07567440490402318,"volume":158.574091401438,"volume_molar":7.957962494238044,"formula_full":"K2 Al2 F8","formula_reduced":"KAlF4","formula_anonymous":"ABC4","energy_above_hull":0.0001999999999999,"spacegroup":127},{"id":"jvasp-48892","created_at":"2022-09-04T14:35:52.641215Z","updated_at":"2022-09-04T14:35:52.641231Z","structure_string":"Li2 Cr1 P2 O8\n1.0\n2.417078 -4.186501 0.000000\n2.417078 4.186501 0.000000\n0.000000 -0.000000 7.053936\nLi Cr P O\n2 1 2 8\ndirect\n0.666667 0.333333 0.703004 Li\n0.333334 0.666667 0.296993 Li\n0.000000 0.000000 -0.000003 Cr\n0.666667 0.333333 0.234266 P\n0.333334 0.666667 0.765730 P\n0.348359 0.044434 0.156890 O\n0.666667 0.333333 0.445108 O\n0.955567 0.303925 0.156890 O\n0.696076 0.651642 0.156890 O\n0.303925 0.348357 0.843107 O\n0.044433 0.696076 0.843107 O\n0.333334 0.666667 0.554888 O\n0.651644 0.955568 0.843107 O\n","nsites":13,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.9756484098667113,"density_atomic":0.09106258549727858,"volume":142.75895999448102,"volume_molar":6.613188860292104,"formula_full":"Li2 Cr1 P2 O8","formula_reduced":"Li2Cr(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.794270492307692,"spacegroup":147},{"id":"jvasp-17899","created_at":"2022-09-04T14:36:51.166476Z","updated_at":"2022-09-04T14:36:51.166501Z","structure_string":"Ca1 V1 F6\n1.0\n4.736614 0.117085 3.193899\n1.759400 4.399287 3.193899\n0.168407 0.117085 5.710353\nCa V F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 V\n0.362271 0.080589 0.781312 F\n0.080588 0.781314 0.362270 F\n0.218687 0.637731 0.919411 F\n0.919411 0.218689 0.637729 F\n0.637728 0.919414 0.218687 F\n0.781311 0.362272 0.080588 F\n","nsites":8,"nelements":3,"elements":["Ca","V","F"],"chemical_system":"Ca-F-V","density":2.975817753318462,"density_atomic":0.0699314197584788,"volume":114.39779183133263,"volume_molar":8.61149506301829,"formula_full":"Ca1 V1 F6","formula_reduced":"CaVF6","formula_anonymous":"ABC6","energy_above_hull":0.016595789375,"spacegroup":148},{"id":"jvasp-61305","created_at":"2022-09-04T14:36:17.277896Z","updated_at":"2022-09-04T14:36:17.277917Z","structure_string":"Mg4 B2 Br2 N4\n1.0\n3.317800 4.600232 0.006977\n-3.317800 4.600232 0.006977\n0.000000 2.166813 6.120650\nMg B Br N\n4 2 2 4\ndirect\n0.345895 0.142988 0.335442 Mg\n0.857011 0.654104 0.164559 Mg\n0.654104 0.857011 0.664559 Mg\n0.142988 0.345895 0.835442 Mg\n0.112150 0.887849 0.750000 B\n0.887849 0.112150 0.250000 B\n0.630915 0.369084 0.750000 Br\n0.369084 0.630915 0.250000 Br\n0.266937 0.042307 0.678819 N\n0.957692 0.733062 0.821182 N\n0.733062 0.957692 0.321182 N\n0.042307 0.266937 0.178819 N\n","nsites":12,"nelements":4,"elements":["Mg","B","Br","N"],"chemical_system":"B-Br-Mg-N","density":2.9761202316299347,"density_atomic":0.06426241063528615,"volume":186.7343581009528,"volume_molar":9.3711715767682,"formula_full":"Mg4 B2 Br2 N4","formula_reduced":"Mg2BBrN2","formula_anonymous":"ABC2D2","energy_above_hull":2.192758548055555,"spacegroup":15},{"id":"jvasp-46896","created_at":"2022-09-04T14:38:02.723060Z","updated_at":"2022-09-04T14:38:02.723078Z","structure_string":"Li4 V4 O4 F12\n1.0\n5.995988 -0.000000 0.000000\n0.000000 5.995988 0.000000\n0.000000 0.000000 8.124287\nLi V O F\n4 4 4 12\ndirect\n0.245736 0.253912 0.385882 Li\n0.253912 0.754265 0.135882 Li\n0.746089 0.245736 0.635882 Li\n0.754265 0.746089 0.885882 Li\n0.014148 0.264445 0.016646 V\n0.264445 0.985853 0.766646 V\n0.735555 0.014148 0.266646 V\n0.985853 0.735555 0.516646 V\n0.776137 0.969333 0.476287 O\n0.969333 0.223863 0.226287 O\n0.030667 0.776137 0.726287 O\n0.223863 0.030667 0.976287 O\n0.787888 0.462961 0.960636 F\n0.015889 0.221196 0.759546 F\n0.212112 0.537039 0.460636 F\n0.220964 0.490726 0.021036 F\n0.221196 0.984112 0.509545 F\n0.462961 0.212112 0.710636 F\n0.490726 0.779036 0.771036 F\n0.509274 0.220964 0.271036 F\n0.537039 0.787888 0.210636 F\n0.778805 0.015889 0.009545 F\n0.779036 0.509274 0.521036 F\n0.984112 0.778805 0.259545 F\n","nsites":24,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.9762267579592243,"density_atomic":0.08216833271034951,"volume":292.08332709636545,"volume_molar":7.329028789264312,"formula_full":"Li4 V4 O4 F12","formula_reduced":"LiVOF3","formula_anonymous":"ABCD3","energy_above_hull":0.8152930912500002,"spacegroup":76},{"id":"jvasp-90347","created_at":"2022-09-04T14:36:16.988434Z","updated_at":"2022-09-04T14:36:16.988458Z","structure_string":"Cu1 H4 O2 F2\n1.0\n0.796663 0.000000 -3.236417\n-3.580249 -3.680937 1.458190\n-3.580249 3.680937 1.458190\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.007849 0.770248 0.445764 H\n0.007849 0.445764 0.770248 H\n0.992153 0.229753 0.554236 H\n0.992153 0.554236 0.229753 H\n0.000000 0.739436 0.260565 O\n0.000000 0.260565 0.739436 O\n0.947261 0.237214 0.237214 F\n0.052741 0.762787 0.762787 F\n","nsites":9,"nelements":4,"elements":["Cu","H","O","F"],"chemical_system":"Cu-F-H-O","density":2.9764493254365174,"density_atomic":0.11726206569066046,"volume":76.7511637032062,"volume_molar":5.135625681272341,"formula_full":"Cu1 H4 O2 F2","formula_reduced":"CuH4(OF)2","formula_anonymous":"AB2C2D4","energy_above_hull":1.7552020016666663,"spacegroup":12},{"id":"jvasp-116883","created_at":"2022-09-04T14:38:44.826700Z","updated_at":"2022-09-04T14:38:44.826725Z","structure_string":"Li4 V4 Si4 O16\n1.0\n5.782074 -0.063117 0.247162\n1.020904 6.160308 1.474202\n-0.204495 -0.133242 9.336016\nLi V Si O\n4 4 4 16\ndirect\n0.592886 0.877744 0.751827 Li\n0.440557 0.661782 0.331174 Li\n0.559441 0.338218 0.668826 Li\n0.407112 0.122257 0.248173 Li\n0.986041 0.927642 0.294353 V\n0.813195 0.635550 0.076577 V\n0.186803 0.364450 0.923423 V\n0.013957 0.072358 0.705648 V\n0.847392 0.290712 0.382148 Si\n0.714897 0.167227 0.992662 Si\n0.285101 0.832773 0.007338 Si\n0.152606 0.709288 0.617852 Si\n0.103541 0.182452 0.326833 O\n0.186127 0.059982 0.890183 O\n0.885158 0.347391 0.009774 O\n0.839516 0.302110 0.555883 O\n0.710739 0.138291 0.824207 O\n0.247399 0.464215 0.716575 O\n0.752598 0.535785 0.283425 O\n0.304363 0.892258 0.650090 O\n0.160482 0.697890 0.444117 O\n0.114840 0.652609 0.990226 O\n0.813871 0.940018 0.109817 O\n0.896457 0.817548 0.673167 O\n0.695635 0.107743 0.349910 O\n0.544505 0.733624 0.955785 O\n0.289259 0.861709 0.175793 O\n0.455493 0.266377 0.044216 O\n","nsites":28,"nelements":4,"elements":["Li","V","Si","O"],"chemical_system":"Li-O-Si-V","density":2.9771771732981107,"density_atomic":0.08368776578014697,"volume":334.5769807448052,"volume_molar":7.195963118217953,"formula_full":"Li4 V4 Si4 O16","formula_reduced":"LiVSiO4","formula_anonymous":"ABCD4","energy_above_hull":2.5441081142857147,"spacegroup":2},{"id":"jvasp-8598","created_at":"2022-09-04T14:36:39.132129Z","updated_at":"2022-09-04T14:36:39.132163Z","structure_string":"Cu1 H4 O2 F2\n1.0\n3.151833 -0.621793 -0.883308\n-1.476247 5.120982 -0.302551\n-0.862004 0.336326 5.257294\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.992290 0.229803 0.554276 H\n0.992289 0.554277 0.229801 H\n0.007709 0.770198 0.445723 H\n0.007710 0.445724 0.770198 H\n-0.000000 0.739424 0.260575 O\n0.000001 0.260576 0.739424 O\n0.052244 0.762674 0.762674 F\n0.947755 0.237327 0.237326 F\n","nsites":9,"nelements":4,"elements":["Cu","H","O","F"],"chemical_system":"Cu-F-H-O","density":2.9773713017261008,"density_atomic":0.11729838844721152,"volume":76.72739684782901,"volume_molar":5.134035377400074,"formula_full":"Cu1 H4 O2 F2","formula_reduced":"CuH4(OF)2","formula_anonymous":"AB2C2D4","energy_above_hull":1.7552008905555554,"spacegroup":12},{"id":"jvasp-22176","created_at":"2022-09-04T14:37:46.740067Z","updated_at":"2022-09-04T14:37:46.740098Z","structure_string":"K4 Li2 Al2 F12\n1.0\n5.387175 0.001929 8.147248\n2.451439 4.797093 8.147248\n0.003151 0.001929 9.767256\nK Li Al F\n4 2 2 12\ndirect\n0.127722 0.127721 0.127721 K\n0.280927 0.280926 0.280927 K\n0.719074 0.719073 0.719074 K\n0.872279 0.872278 0.872279 K\n0.597348 0.597348 0.597348 Li\n0.402652 0.402652 0.402652 Li\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.271864 0.807080 0.807080 F\n0.610709 0.160049 0.610709 F\n0.610709 0.610708 0.160049 F\n0.160049 0.610708 0.610709 F\n0.192921 0.728136 0.192920 F\n0.389292 0.839950 0.389292 F\n0.389292 0.389291 0.839951 F\n0.807080 0.271864 0.807080 F\n0.807081 0.807080 0.271864 F\n0.192920 0.192920 0.728136 F\n0.728137 0.192920 0.192920 F\n0.839952 0.389291 0.389291 F\n","nsites":20,"nelements":4,"elements":["K","Li","Al","F"],"chemical_system":"Al-F-K-Li","density":2.977536110775378,"density_atomic":0.07930289085404109,"volume":252.197615807102,"volume_molar":7.593847708633847,"formula_full":"K4 Li2 Al2 F12","formula_reduced":"K2LiAlF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0007550000000003,"spacegroup":166},{"id":"jvasp-13917","created_at":"2022-09-04T14:38:03.782809Z","updated_at":"2022-09-04T14:38:03.782839Z","structure_string":"Na5 Zr2 F13\n1.0\n5.649853 0.000000 -0.000000\n-2.824927 5.868919 -0.579199\n-0.000000 0.398444 9.115571\nNa Zr F\n5 2 13\ndirect\n0.809224 0.618450 0.111887 Na\n0.662598 0.325196 0.578340 Na\n-0.000000 -0.000000 0.500000 Na\n0.337401 0.674803 0.421659 Na\n0.190775 0.381549 0.888113 Na\n0.081617 0.163236 0.219493 Zr\n0.918381 0.836764 0.780507 Zr\n0.835070 0.110891 0.730815 F\n0.164929 0.889109 0.269185 F\n0.638506 0.705211 0.606412 F\n0.361493 0.294788 0.393588 F\n0.933293 0.294788 0.393588 F\n0.406814 0.349503 0.110751 F\n0.057311 0.650497 0.889248 F\n0.593185 0.650497 0.889248 F\n0.942688 0.349503 0.110751 F\n0.000000 0.000000 0.000000 F\n0.724178 0.889109 0.269185 F\n0.275821 0.110891 0.730815 F\n0.066706 0.705211 0.606412 F\n","nsites":20,"nelements":3,"elements":["Na","Zr","F"],"chemical_system":"F-Na-Zr","density":2.977827903833399,"density_atomic":0.0658842267228229,"volume":303.56279484224126,"volume_molar":9.140489400194895,"formula_full":"Na5 Zr2 F13","formula_reduced":"Na5Zr2F13","formula_anonymous":"A2B5C13","energy_above_hull":0.0326268836249998,"spacegroup":12},{"id":"jvasp-102615","created_at":"2022-09-04T14:36:49.523096Z","updated_at":"2022-09-04T14:36:49.523107Z","structure_string":"Rb2 Sc2 Cl6\n1.0\n7.220611 -0.000000 0.000000\n-3.610305 6.253233 0.000000\n-0.000000 -0.000000 5.848390\nRb Sc Cl\n2 2 6\ndirect\n0.333333 0.666666 0.750000 Rb\n0.666666 0.333333 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.170105 0.340211 0.250000 Cl\n0.829894 0.659789 0.750000 Cl\n0.659788 0.829895 0.250000 Cl\n0.340211 0.170105 0.750000 Cl\n0.170104 0.829895 0.250000 Cl\n0.829895 0.170105 0.750000 Cl\n","nsites":10,"nelements":3,"elements":["Rb","Sc","Cl"],"chemical_system":"Cl-Rb-Sc","density":2.9779280327215853,"density_atomic":0.03786911139103075,"volume":264.0674584819671,"volume_molar":15.902514051138617,"formula_full":"Rb2 Sc2 Cl6","formula_reduced":"RbScCl3","formula_anonymous":"ABC3","energy_above_hull":0.1117928468333332,"spacegroup":194},{"id":"jvasp-101970","created_at":"2022-09-04T14:37:03.550194Z","updated_at":"2022-09-04T14:37:03.550214Z","structure_string":"Sn2 H8 C4 Cl4\n1.0\n3.960457 0.004963 0.004854\n1.969007 5.897743 1.593839\n-0.011826 0.021973 10.401788\nSn H C Cl\n2 8 4 4\ndirect\n0.987391 0.972480 0.270653 Sn\n0.980478 0.972513 0.770646 Sn\n0.926828 0.743377 0.592761 H\n0.697436 0.201401 0.948589 H\n0.270439 0.743570 0.092719 H\n0.040989 0.201640 0.448533 H\n0.623504 0.150405 0.453914 H\n0.165962 0.150728 0.953876 H\n0.801903 0.794244 0.087432 H\n0.344328 0.794602 0.587377 H\n0.055611 0.874801 0.580355 C\n0.912221 0.070208 0.460938 C\n0.957744 0.070220 0.960942 C\n0.010127 0.874749 0.080365 C\n0.643079 0.670444 0.861298 Cl\n0.341333 0.274573 0.679986 Cl\n0.626510 0.670419 0.361319 Cl\n0.324768 0.274539 0.179989 Cl\n","nsites":18,"nelements":4,"elements":["Sn","H","C","Cl"],"chemical_system":"C-Cl-H-Sn","density":2.978282376188953,"density_atomic":0.07415874682831407,"volume":242.72254817994764,"volume_molar":8.120607504252924,"formula_full":"Sn2 H8 C4 Cl4","formula_reduced":"SnH4(CCl)2","formula_anonymous":"AB2C2D4","energy_above_hull":2.982983315,"spacegroup":15}]}