{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4570","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4568","results":[{"id":"jvasp-98513","created_at":"2022-09-04T14:36:13.744359Z","updated_at":"2022-09-04T14:36:13.744369Z","structure_string":"Bi10 I2 O14\n1.0\n4.219992 -0.000000 0.000000\n-2.109996 8.979039 -2.522424\n0.000000 0.465937 13.120228\nBi I O\n10 2 14\ndirect\n0.206214 0.412428 0.368619 Bi\n0.724372 0.448745 0.870817 Bi\n0.121707 0.243416 0.597406 Bi\n0.878291 0.756585 0.402595 Bi\n0.466928 0.933859 0.633369 Bi\n0.275627 0.551255 0.129183 Bi\n0.386025 0.772051 0.876917 Bi\n0.613974 0.227949 0.123084 Bi\n0.793785 0.587572 0.631382 Bi\n0.533070 0.066141 0.366631 Bi\n0.059257 0.118514 0.869515 I\n0.940742 0.881487 0.130486 I\n0.925548 0.851099 0.584518 O\n0.308060 0.616121 0.296596 O\n0.691939 0.383879 0.703404 O\n0.226905 0.453811 0.559237 O\n0.773094 0.546189 0.440764 O\n0.074450 0.148901 0.415482 O\n0.838702 0.677406 0.838479 O\n0.725505 0.451011 0.094333 O\n0.632789 0.265578 0.295373 O\n0.367210 0.734422 0.704628 O\n0.161297 0.322594 0.161521 O\n0.580167 0.160336 0.533906 O\n0.274494 0.548990 0.905667 O\n0.419831 0.839665 0.466094 O\n","nsites":26,"nelements":3,"elements":["Bi","I","O"],"chemical_system":"Bi-I-O","density":8.491475031819602,"density_atomic":0.051782051526602625,"volume":502.104478935963,"volume_molar":11.62978403222625,"formula_full":"Bi10 I2 O14","formula_reduced":"Bi5IO7","formula_anonymous":"AB5C7","energy_above_hull":1.889259405769231,"spacegroup":12},{"id":"jvasp-98515","created_at":"2022-09-04T14:36:15.113820Z","updated_at":"2022-09-04T14:36:15.113838Z","structure_string":"Li4 In4 I16\n1.0\n7.378171 0.000000 0.000000\n0.000000 8.285769 -0.380507\n0.000000 0.008632 14.979684\nLi In I\n4 4 16\ndirect\n0.015219 0.140315 0.375501 Li\n0.515219 0.859685 0.124498 Li\n0.984781 0.859685 0.624498 Li\n0.484781 0.140315 0.875501 Li\n0.173499 0.307556 0.600499 In\n0.673499 0.692443 0.899500 In\n0.826501 0.692443 0.399501 In\n0.326501 0.307557 0.100499 In\n0.681400 0.410186 0.796915 I\n0.181400 0.589814 0.703084 I\n0.168489 0.054098 0.189680 I\n0.668489 0.945902 0.310319 I\n0.831511 0.945902 0.810319 I\n0.331511 0.054098 0.689680 I\n0.330174 0.821215 0.939282 I\n0.167474 0.320127 0.934403 I\n0.669826 0.178785 0.060718 I\n0.169826 0.821215 0.439282 I\n0.818599 0.410186 0.296915 I\n0.667474 0.679873 0.565596 I\n0.832526 0.679873 0.065596 I\n0.332526 0.320127 0.434403 I\n0.830174 0.178785 0.560718 I\n0.318599 0.589814 0.203085 I\n","nsites":24,"nelements":3,"elements":["Li","In","I"],"chemical_system":"I-In-Li","density":4.564825618817146,"density_atomic":0.026206894442202186,"volume":915.7895474006137,"volume_molar":22.979223170763284,"formula_full":"Li4 In4 I16","formula_reduced":"LiInI4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":14},{"id":"jvasp-98518","created_at":"2022-09-04T14:36:17.674801Z","updated_at":"2022-09-04T14:36:17.674836Z","structure_string":"Sc4 Ge6 Rh7\n1.0\n6.747516 -0.007103 -2.389957\n-3.379909 5.839968 -2.389957\n-0.004101 -0.007103 7.158271\nSc Ge Rh\n4 6 7\ndirect\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n-0.012871 0.670067 0.670067 Ge\n0.012871 0.329934 0.329933 Ge\n0.670067 0.670067 -0.012871 Ge\n0.670067 -0.012870 0.670067 Ge\n0.329934 0.012871 0.329934 Ge\n0.329934 0.329934 0.012871 Ge\n0.500001 0.749190 0.250811 Rh\n0.749190 0.500001 0.250811 Rh\n0.749190 0.250812 0.500000 Rh\n0.250811 0.749190 0.500000 Rh\n0.500001 0.250812 0.749189 Rh\n0.500001 0.500001 0.500000 Rh\n0.250812 0.500001 0.749189 Rh\n","nsites":17,"nelements":3,"elements":["Sc","Ge","Rh"],"chemical_system":"Ge-Rh-Sc","density":7.876108548055495,"density_atomic":0.06035376401767204,"volume":281.6725729818984,"volume_molar":9.978069898402147,"formula_full":"Sc4 Ge6 Rh7","formula_reduced":"Sc4Ge6Rh7","formula_anonymous":"A4B6C7","energy_above_hull":2.5748181,"spacegroup":166},{"id":"jvasp-9852","created_at":"2022-09-04T14:38:08.623904Z","updated_at":"2022-09-04T14:38:08.623927Z","structure_string":"Ca4 Al2 Ni2 O10\n1.0\n5.267970 0.001006 -0.000157\n-0.001022 5.649601 -0.002659\n-2.633362 -2.821683 7.052308\nCa Al Ni O\n4 2 2 10\ndirect\n0.101326 0.571560 0.212303 Ca\n0.388745 0.858971 0.787099 Ca\n0.888732 0.428483 0.787093 Ca\n0.601340 0.141073 0.212293 Ca\n0.205558 0.169002 0.499678 Al\n0.705579 0.831045 0.499718 Al\n0.508030 0.500022 0.999696 Ni\n0.008028 0.000021 0.999695 Ni\n0.770244 0.774225 0.035801 O\n0.734143 0.225823 0.963587 O\n0.884758 0.787409 0.712737 O\n0.171718 0.212632 0.286655 O\n0.868962 0.109387 0.499701 O\n0.671825 0.574354 0.286756 O\n0.368958 0.890655 0.499692 O\n0.270244 0.761916 0.035804 O\n0.384756 0.425690 0.712637 O\n0.234147 0.238119 0.963593 O\n","nsites":18,"nelements":4,"elements":["Ca","Al","Ni","O"],"chemical_system":"Al-Ca-Ni-O","density":3.8904925397346304,"density_atomic":0.08577619149956778,"volume":209.84844028766074,"volume_molar":7.020760253770822,"formula_full":"Ca4 Al2 Ni2 O10","formula_reduced":"Ca2AlNiO5","formula_anonymous":"ABC2D5","energy_above_hull":1.5346003933333334,"spacegroup":46},{"id":"jvasp-98523","created_at":"2022-09-04T14:36:18.884323Z","updated_at":"2022-09-04T14:36:18.884353Z","structure_string":"Ba2 La1 Ag5 S6\n1.0\n4.274945 -0.000000 0.000000\n-2.137473 6.989349 -0.564309\n0.000000 0.035549 11.279391\nBa La Ag S\n2 1 5 6\ndirect\n0.251449 0.502898 0.708808 Ba\n0.748552 0.497103 0.291191 Ba\n0.500001 0.000000 0.500000 La\n0.357498 0.714994 0.036464 Ag\n0.642504 0.285006 0.963536 Ag\n0.979730 0.959457 0.745488 Ag\n0.020272 0.040543 0.254512 Ag\n0.000000 0.000000 0.000000 Ag\n0.586227 0.172452 0.741247 S\n0.841005 0.682008 0.900371 S\n0.158997 0.317992 0.099629 S\n0.413775 0.827548 0.258753 S\n0.133051 0.266102 0.449087 S\n0.866951 0.733898 0.550912 S\n","nsites":14,"nelements":4,"elements":["Ba","La","Ag","S"],"chemical_system":"Ag-Ba-La-S","density":5.641587615329105,"density_atomic":0.04153025794196614,"volume":337.10361297450703,"volume_molar":14.500610057407455,"formula_full":"Ba2 La1 Ag5 S6","formula_reduced":"Ba2LaAg5S6","formula_anonymous":"AB2C5D6","energy_above_hull":0.9228195171428568,"spacegroup":12},{"id":"jvasp-98524","created_at":"2022-09-04T14:36:21.105618Z","updated_at":"2022-09-04T14:36:21.105648Z","structure_string":"Nd12 S12 N4\n1.0\n4.029211 0.000000 0.000000\n0.000000 12.221542 0.000000\n0.000000 0.000000 13.104488\nNd S N\n12 12 4\ndirect\n0.750000 0.277134 0.366364 Nd\n0.750000 0.416752 0.127021 Nd\n0.750000 0.959255 0.851574 Nd\n0.250000 0.583248 0.872979 Nd\n0.250000 0.222865 0.866364 Nd\n0.750000 0.777134 0.133636 Nd\n0.750000 0.916751 0.372979 Nd\n0.250000 0.083248 0.627022 Nd\n0.250000 0.722865 0.633636 Nd\n0.250000 0.540745 0.351573 Nd\n0.750000 0.459255 0.648427 Nd\n0.250000 0.040745 0.148427 Nd\n0.250000 0.582419 0.106540 S\n0.250000 0.082419 0.393460 S\n0.250000 0.769234 0.302782 S\n0.250000 0.360360 0.497021 S\n0.750000 0.417581 0.893460 S\n0.250000 0.860359 0.002979 S\n0.250000 0.269234 0.197218 S\n0.750000 0.139640 0.997021 S\n0.750000 0.917581 0.606540 S\n0.750000 0.730765 0.802782 S\n0.750000 0.230766 0.697218 S\n0.750000 0.639640 0.502979 S\n0.750000 0.453953 0.298006 N\n0.250000 0.046047 0.798006 N\n0.250000 0.546047 0.701994 N\n0.750000 0.953953 0.201994 N\n","nsites":28,"nelements":3,"elements":["Nd","S","N"],"chemical_system":"N-Nd-S","density":5.588368237420815,"density_atomic":0.04339023061314412,"volume":645.3065495235697,"volume_molar":13.879024552074458,"formula_full":"Nd12 S12 N4","formula_reduced":"Nd3S3N","formula_anonymous":"AB3C3","energy_above_hull":2.26850825,"spacegroup":62},{"id":"jvasp-98527","created_at":"2022-09-04T14:36:22.118111Z","updated_at":"2022-09-04T14:36:22.118136Z","structure_string":"C4 S4 Cl8\n1.0\n5.920358 0.000000 0.000000\n0.000000 6.290294 -0.956849\n0.000000 -0.007342 9.236641\nC S Cl\n4 4 8\ndirect\n0.413824 0.670629 0.549963 C\n0.586176 0.329370 0.450037 C\n0.913824 0.329371 0.950037 C\n0.086176 0.670629 0.049963 C\n0.566397 0.582560 0.379171 S\n0.433603 0.417440 0.620829 S\n0.933603 0.582560 0.879171 S\n0.066397 0.417440 0.120829 S\n0.947971 0.884423 0.166595 Cl\n0.630010 0.247125 0.978297 Cl\n0.052029 0.115576 0.833405 Cl\n0.130010 0.752874 0.521703 Cl\n0.447971 0.115576 0.333405 Cl\n0.869991 0.247125 0.478297 Cl\n0.369990 0.752874 0.021703 Cl\n0.552029 0.884424 0.666595 Cl\n","nsites":16,"nelements":3,"elements":["C","S","Cl"],"chemical_system":"C-Cl-S","density":2.22053361309945,"density_atomic":0.04651998008384803,"volume":343.93823839050356,"volume_molar":12.945278027087802,"formula_full":"C4 S4 Cl8","formula_reduced":"CSCl2","formula_anonymous":"ABC2","energy_above_hull":2.04968453375,"spacegroup":14},{"id":"jvasp-98528","created_at":"2022-09-04T14:35:42.134782Z","updated_at":"2022-09-04T14:35:42.134796Z","structure_string":"Hg12 P4 O16\n1.0\n7.531562 0.000000 -2.693055\n0.000000 8.203914 0.000000\n-0.121299 0.000000 9.405602\nHg P O\n12 4 16\ndirect\n0.997828 0.221596 0.441478 Hg\n0.593668 0.388277 0.465623 Hg\n0.764395 0.947782 0.619857 Hg\n0.406331 0.611723 0.534377 Hg\n0.264396 0.552218 0.119856 Hg\n0.906331 0.888277 0.034378 Hg\n0.497828 0.278404 0.941478 Hg\n0.235604 0.052218 0.380144 Hg\n0.502171 0.721595 0.058522 Hg\n0.002171 0.778404 0.558522 Hg\n0.093668 0.111723 0.965623 Hg\n0.735604 0.447782 0.880144 Hg\n0.454353 0.938620 0.752570 P\n0.954353 0.561379 0.252571 P\n0.545646 0.061379 0.247430 P\n0.045646 0.438620 0.747430 P\n0.556905 0.062680 0.685191 O\n0.443095 0.937320 0.314809 O\n0.844250 0.468076 0.330527 O\n0.677687 0.161525 0.384662 O\n0.409478 0.184207 0.141596 O\n0.177687 0.338475 0.884661 O\n0.943095 0.562679 0.814809 O\n0.655750 0.968075 0.169474 O\n0.155750 0.531924 0.669474 O\n0.344250 0.031924 0.830526 O\n0.090522 0.684207 0.358404 O\n0.909478 0.315792 0.641596 O\n0.590521 0.815792 0.858405 O\n0.822313 0.661525 0.115339 O\n0.322313 0.838474 0.615339 O\n0.056905 0.437320 0.185191 O\n","nsites":32,"nelements":3,"elements":["Hg","P","O"],"chemical_system":"Hg-O-P","density":8.000097094669146,"density_atomic":0.0553177559903944,"volume":578.4761045902984,"volume_molar":10.886451650435186,"formula_full":"Hg12 P4 O16","formula_reduced":"Hg3PO4","formula_anonymous":"AB3C4","energy_above_hull":0.9600716625,"spacegroup":14},{"id":"jvasp-98529","created_at":"2022-09-04T14:35:43.919884Z","updated_at":"2022-09-04T14:35:43.919907Z","structure_string":"Na4 Co4 F12\n1.0\n5.370070 0.000000 0.000000\n-0.000000 5.617744 0.000000\n0.000000 0.000000 7.738977\nNa Co F\n4 4 12\ndirect\n0.018894 0.936553 0.750000 Na\n0.518894 0.563446 0.250000 Na\n0.481106 0.436553 0.750000 Na\n0.981106 0.063447 0.250000 Na\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.612666 0.040796 0.750000 F\n0.112666 0.459204 0.250000 F\n0.693063 0.302081 0.057900 F\n0.193063 0.197919 0.942100 F\n0.806937 0.802080 0.442100 F\n0.193063 0.197919 0.557900 F\n0.306937 0.697919 0.942100 F\n0.806937 0.802080 0.057900 F\n0.387334 0.959203 0.250000 F\n0.693063 0.302081 0.442100 F\n0.306937 0.697919 0.557900 F\n0.887334 0.540796 0.750000 F\n","nsites":20,"nelements":3,"elements":["Na","Co","F"],"chemical_system":"Co-F-Na","density":3.9522345206329876,"density_atomic":0.08566522271077259,"volume":233.46697022577115,"volume_molar":7.029854787551614,"formula_full":"Na4 Co4 F12","formula_reduced":"NaCoF3","formula_anonymous":"ABC3","energy_above_hull":0.1431735098333334,"spacegroup":62},{"id":"jvasp-98530","created_at":"2022-09-04T14:35:45.025281Z","updated_at":"2022-09-04T14:35:45.025307Z","structure_string":"Sr2 Sc2 B4 O11\n1.0\n5.114013 0.007506 0.055097\n1.594798 5.973182 1.327391\n-0.011479 0.034242 7.290310\nSr Sc B O\n2 2 4 11\ndirect\n0.774906 0.805763 0.836242 Sr\n0.225093 0.194236 0.163758 Sr\n0.813594 0.718208 0.352222 Sc\n0.186406 0.281792 0.647779 Sc\n0.277944 0.779573 0.608064 B\n0.647968 0.343096 0.898870 B\n0.352032 0.656904 0.101130 B\n0.722056 0.220427 0.391936 B\n0.910690 0.341899 0.867206 O\n0.175485 0.946857 0.706095 O\n0.889806 0.355758 0.420497 O\n0.489705 0.796203 0.151186 O\n0.089310 0.658100 0.132794 O\n0.538393 0.743540 0.555553 O\n0.461607 0.256460 0.444447 O\n0.824515 0.053143 0.293906 O\n0.110193 0.644242 0.579504 O\n0.500000 0.500000 0.000000 O\n0.510294 0.203797 0.848814 O\n","nsites":19,"nelements":4,"elements":["Sr","Sc","B","O"],"chemical_system":"B-O-Sc-Sr","density":3.6169367201544698,"density_atomic":0.08543797396076973,"volume":222.38355053602007,"volume_molar":7.048552863349927,"formula_full":"Sr2 Sc2 B4 O11","formula_reduced":"Sr2Sc2B4O11","formula_anonymous":"A2B2C4D11","energy_above_hull":3.052621681754386,"spacegroup":2},{"id":"jvasp-98531","created_at":"2022-09-04T14:35:46.604646Z","updated_at":"2022-09-04T14:35:46.604680Z","structure_string":"Si8 O16\n1.0\n7.272481 -0.154272 -2.072564\n-4.178878 5.953969 -2.072564\n0.082290 0.154272 7.561595\nSi O\n8 16\ndirect\n0.478300 0.133539 0.227379 Si\n0.906161 0.250921 0.772623 Si\n0.133539 0.478300 0.227379 Si\n0.866461 0.093839 0.344761 Si\n0.749079 0.521700 0.655241 Si\n0.250921 0.906161 0.772623 Si\n0.093839 0.866461 0.344761 Si\n0.521700 0.749079 0.655240 Si\n0.645964 0.394963 0.404214 O\n0.251085 -0.000000 0.251085 O\n0.394963 0.645964 0.404213 O\n0.009249 0.605037 0.251001 O\n0.748915 -0.000000 0.748916 O\n0.758248 0.354036 0.749000 O\n0.590743 0.590743 0.713916 O\n-0.000000 0.748915 0.748915 O\n0.990750 0.241752 0.595788 O\n0.409257 0.123172 0.000000 O\n0.876828 0.876828 0.286086 O\n0.605037 0.009250 0.251002 O\n0.123172 0.409257 0.000000 O\n-0.000000 0.251085 0.251085 O\n0.241751 0.990750 0.595788 O\n0.354036 0.758248 0.749000 O\n","nsites":24,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.439075392341137,"density_atomic":0.07333923508473879,"volume":327.24639099752727,"volume_molar":8.211349290787942,"formula_full":"Si8 O16","formula_reduced":"SiO2","formula_anonymous":"AB2","energy_above_hull":1.3958085333333337,"spacegroup":121},{"id":"jvasp-98532","created_at":"2022-09-04T14:35:48.921659Z","updated_at":"2022-09-04T14:35:48.921682Z","structure_string":"Si24 O48\n1.0\n7.825457 -0.000000 2.664989\n2.589076 11.837656 5.219259\n-0.126374 -0.075677 13.192892\nSi O\n24 48\ndirect\n0.752266 0.623100 0.494138 Si\n0.866176 0.378432 0.269887 Si\n0.485507 0.769887 0.878431 Si\n0.698033 0.235498 0.735497 Si\n0.752266 0.994138 0.123099 Si\n0.130498 0.994138 0.123099 Si\n0.060662 0.377869 0.877869 Si\n0.485507 0.378432 0.269887 Si\n0.133825 0.230113 0.121568 Si\n0.869504 0.376901 0.505862 Si\n0.316399 0.622131 0.122131 Si\n0.866176 0.769887 0.878431 Si\n0.869504 0.005862 0.876900 Si\n0.669028 0.764503 0.264502 Si\n0.133825 0.621568 0.730113 Si\n0.514494 0.621568 0.730113 Si\n0.939340 0.622131 0.122131 Si\n0.330973 0.235498 0.735497 Si\n0.130498 0.623100 0.494138 Si\n0.247735 0.005862 0.876900 Si\n0.683602 0.377869 0.877869 Si\n0.301968 0.764503 0.264502 Si\n0.514494 0.230113 0.121568 Si\n0.247735 0.376901 0.505862 Si\n0.666307 0.640796 0.615879 O\n0.228635 0.900035 0.220286 O\n0.145278 0.297846 0.797846 O\n0.044241 0.368935 0.542585 O\n0.261084 0.000000 -0.000000 O\n0.738917 0.000000 -0.000000 O\n0.848914 0.401087 0.901087 O\n0.876042 0.682516 0.004207 O\n0.240970 0.702154 0.202154 O\n0.738917 0.500000 0.500000 O\n0.123959 0.317484 0.995793 O\n0.331951 0.198060 0.138038 O\n0.044241 0.042585 0.868934 O\n0.485712 0.264288 0.764288 O\n0.922982 0.359204 0.384121 O\n0.666306 0.115879 0.140796 O\n0.077019 0.115879 0.140796 O\n0.000001 0.714321 0.785679 O\n0.854723 0.702154 0.202154 O\n0.437236 0.682516 0.004207 O\n0.651045 0.900035 0.220286 O\n0.331952 0.638038 0.698060 O\n0.261084 0.500000 0.500000 O\n0.668050 0.801940 0.861961 O\n0.651045 0.720286 0.400035 O\n0.771366 0.279714 0.599965 O\n0.228635 0.720286 0.400035 O\n0.500000 0.285679 0.214321 O\n0.077020 0.640796 0.615879 O\n0.514289 0.735712 0.235711 O\n0.151088 0.598913 0.098913 O\n0.876042 0.504207 0.182516 O\n0.348957 0.099965 0.779714 O\n0.668050 0.361962 0.301940 O\n0.333695 0.359204 0.384121 O\n0.123959 0.495793 0.817484 O\n0.437236 0.504207 0.182516 O\n0.955761 0.631066 0.457414 O\n0.348957 0.279714 0.599965 O\n0.333695 0.884121 0.859203 O\n0.955761 0.957415 0.131065 O\n0.771366 0.099965 0.779714 O\n0.500001 0.714321 0.785679 O\n0.000000 0.285679 0.214321 O\n0.922982 0.884121 0.859203 O\n0.562765 0.495793 0.817484 O\n0.759032 0.297846 0.797846 O\n0.562765 0.317484 0.995793 O\n","nsites":72,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":1.9488687194555812,"density_atomic":0.058599476512391564,"volume":1228.679918066755,"volume_molar":10.276782521643423,"formula_full":"Si24 O48","formula_reduced":"SiO2","formula_anonymous":"AB2","energy_above_hull":1.3956085333333337,"spacegroup":74}]}