{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=599","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=597","results":[{"id":"jvasp-30217","created_at":"2022-09-04T14:37:28.052751Z","updated_at":"2022-09-04T14:37:28.052778Z","structure_string":"Ga2 H10 N4 F4\n1.0\n-0.000000 5.909071 0.000000\n-5.422027 2.954535 -0.165196\n0.140043 0.000000 4.962544\nGa H N F\n2 10 4 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.888656 0.222687 0.570030 H\n0.952037 0.390014 0.795043 H\n0.365325 0.269349 0.923232 H\n0.270883 0.458235 0.656164 H\n0.657950 0.390014 0.795043 H\n0.634675 0.730652 0.076766 H\n0.342050 0.609987 0.204956 H\n0.047964 0.609987 0.204956 H\n0.111344 0.777314 0.429969 H\n0.729117 0.541766 0.343835 H\n0.642025 0.715952 0.280066 N\n0.144560 0.710880 0.231360 N\n0.855440 0.289121 0.768638 N\n0.357975 0.284049 0.719932 N\n0.157906 0.157442 0.241453 F\n0.315348 0.842559 0.758545 F\n0.842094 0.842559 0.758545 F\n0.684652 0.157442 0.241453 F\n","nsites":20,"nelements":4,"elements":["Ga","H","N","F"],"chemical_system":"F-Ga-H-N","density":2.942974374282776,"density_atomic":0.1258978477773937,"volume":158.8589507531773,"volume_molar":4.783354812107708,"formula_full":"Ga2 H10 N4 F4","formula_reduced":"GaH5(NF)2","formula_anonymous":"AB2C2D5","energy_above_hull":2.590975939,"spacegroup":12},{"id":"jvasp-97896","created_at":"2022-09-04T14:35:55.492893Z","updated_at":"2022-09-04T14:35:55.492920Z","structure_string":"Ga2 H26 C8 N4\n1.0\n5.811723 -0.018060 1.734694\n1.296025 6.647275 1.038347\n-0.013930 0.069511 8.551755\nGa H C N\n2 26 8 4\ndirect\n0.443774 0.911468 0.872499 Ga\n0.556226 0.088533 0.127501 Ga\n0.130060 0.868043 0.202920 H\n0.349092 0.155600 0.547304 H\n0.181618 0.925110 0.877064 H\n0.655140 0.587169 0.531405 H\n0.314443 0.485204 0.937249 H\n0.001919 0.405069 0.364700 H\n0.134536 0.300446 0.969618 H\n0.604587 0.230567 0.408770 H\n0.030771 0.227102 0.226110 H\n0.685557 0.514797 0.062751 H\n0.865464 0.699555 0.030383 H\n0.699907 0.252318 0.657587 H\n0.986968 0.854314 0.563474 H\n0.869940 0.131958 0.797080 H\n0.650908 0.844401 0.452696 H\n0.281652 0.384849 0.767074 H\n0.013032 0.145687 0.436526 H\n0.718348 0.615152 0.232926 H\n0.969229 0.772898 0.773890 H\n0.395413 0.769434 0.591230 H\n0.265182 0.608269 0.194749 H\n0.344860 0.412831 0.468596 H\n0.300093 0.747683 0.342414 H\n0.734818 0.391732 0.805252 H\n0.818382 0.074891 0.122937 H\n0.998081 0.594932 0.635300 H\n0.286267 0.756820 0.215811 C\n0.587241 0.743344 0.564176 C\n0.296844 0.347523 0.894155 C\n0.703156 0.652478 0.105846 C\n0.913209 0.749135 0.668366 C\n0.713733 0.243181 0.784190 C\n0.086791 0.250866 0.331634 C\n0.412759 0.256657 0.435824 C\n0.499052 0.815185 0.097824 N\n0.661093 0.775724 0.703662 N\n0.338907 0.224277 0.296339 N\n0.500948 0.184816 0.902176 N\n","nsites":40,"nelements":4,"elements":["Ga","H","C","N"],"chemical_system":"C-Ga-H-N","density":1.5966970255328279,"density_atomic":0.12103962467534078,"volume":330.4702910909566,"volume_molar":4.975346524869786,"formula_full":"Ga2 H26 C8 N4","formula_reduced":"GaH13(C2N)2","formula_anonymous":"AB2C4D13","energy_above_hull":4.25804994125,"spacegroup":2},{"id":"jvasp-88755","created_at":"2022-09-04T14:36:04.574178Z","updated_at":"2022-09-04T14:36:04.574194Z","structure_string":"Ga10 Ge1 Pb3 O20\n1.0\n4.991126 0.007225 1.347539\n1.924641 9.263648 2.753244\n0.020979 -0.008667 9.853896\nGa Ge Pb O\n10 1 3 20\ndirect\n0.165291 0.577655 0.149856 Ga\n0.834710 0.422346 0.850144 Ga\n0.165291 0.149856 0.577655 Ga\n0.500000 0.633098 0.366902 Ga\n0.500000 0.366902 0.633098 Ga\n0.659178 0.993657 0.721432 Ga\n0.340823 0.278568 0.006343 Ga\n0.340823 0.006344 0.278568 Ga\n0.659178 0.721432 0.993656 Ga\n0.834710 0.850144 0.422345 Ga\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pb\n0.329667 0.723200 0.723200 Pb\n0.670334 0.276800 0.276800 Pb\n0.103857 0.684292 0.455508 O\n0.896143 0.544492 0.315708 O\n0.010593 0.007512 0.719339 O\n0.989408 0.280661 0.992488 O\n0.989408 0.992489 0.280661 O\n0.010593 0.719339 0.007512 O\n0.434530 0.661722 0.172962 O\n0.565471 0.827038 0.338278 O\n0.565471 0.338279 0.827038 O\n0.497883 0.904356 0.904356 O\n0.649265 0.604909 0.876200 O\n0.350736 0.123801 0.395091 O\n0.350736 0.395091 0.123800 O\n0.649265 0.876200 0.604909 O\n0.502118 0.095644 0.095644 O\n0.103857 0.455508 0.684292 O\n0.615062 0.566837 0.566837 O\n0.384939 0.433163 0.433163 O\n0.434530 0.172962 0.661722 O\n0.896144 0.315708 0.544492 O\n","nsites":34,"nelements":4,"elements":["Ga","Ge","Pb","O"],"chemical_system":"Ga-Ge-O-Pb","density":6.241868780740086,"density_atomic":0.07467551188202808,"volume":455.30320640738285,"volume_molar":8.064411757248804,"formula_full":"Ga10 Ge1 Pb3 O20","formula_reduced":"Ga10GePb3O20","formula_anonymous":"AB3C10D20","energy_above_hull":1.6682694605882356,"spacegroup":12},{"id":"jvasp-51463","created_at":"2022-09-04T14:36:37.778649Z","updated_at":"2022-09-04T14:36:37.778674Z","structure_string":"Ga2 Ge4 Pb3 O14\n1.0\n4.245041 -7.352628 0.000000\n4.245041 7.352628 -0.000000\n0.000000 -0.000000 5.009172\nGa Ge Pb O\n2 4 3 14\ndirect\n0.666667 0.333333 0.493177 Ga\n0.333333 0.666667 0.506823 Ga\n0.244035 -0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n-0.000000 0.244035 0.500000 Ge\n0.755964 0.755964 0.500000 Ge\n0.571259 -0.000000 0.000000 Pb\n-0.000000 0.571259 0.000000 Pb\n0.428741 0.428741 0.000000 Pb\n0.158280 0.448530 0.668770 O\n0.911834 0.791542 0.766758 O\n0.088166 0.879709 0.233242 O\n0.709750 0.551470 0.331230 O\n0.448530 0.158280 0.331230 O\n0.879709 0.088166 0.766758 O\n0.290250 0.841720 0.668770 O\n0.120291 0.208457 0.233242 O\n0.791542 0.911834 0.233242 O\n0.333333 0.666667 0.148644 O\n0.551470 0.709750 0.668770 O\n0.666667 0.333333 0.851355 O\n0.841720 0.290250 0.331230 O\n0.208457 0.120291 0.766758 O\n","nsites":23,"nelements":4,"elements":["Ga","Ge","Pb","O"],"chemical_system":"Ga-Ge-O-Pb","density":6.77395594763141,"density_atomic":0.07355418929557242,"volume":312.69462990851673,"volume_molar":8.187352505239973,"formula_full":"Ga2 Ge4 Pb3 O14","formula_reduced":"Ga2Ge4Pb3O14","formula_anonymous":"A2B3C4D14","energy_above_hull":1.9635278221739128,"spacegroup":150},{"id":"jvasp-119659","created_at":"2022-09-04T14:38:36.677537Z","updated_at":"2022-09-04T14:38:36.677558Z","structure_string":"Ga2 Fe2 Ni2 O8\n1.0\n5.110179 0.020743 -2.917813\n-1.700861 4.796337 -2.954694\n-0.000065 -0.020743 5.884519\nGa Fe Ni O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000001 Ga\n-0.000000 0.500001 0.500001 Ga\n0.118963 0.868964 0.250001 Fe\n0.881037 0.131037 0.750001 Fe\n0.500000 0.500000 0.500001 Ni\n0.500000 -0.000000 0.000000 Ni\n0.257197 0.738731 0.981534 O\n0.257197 0.275666 0.518468 O\n0.254509 0.741165 0.513346 O\n0.727819 0.741165 0.986656 O\n0.742803 0.261270 0.018468 O\n0.742802 0.724335 0.481534 O\n0.745491 0.258835 0.486655 O\n0.272181 0.258835 0.013345 O\n","nsites":14,"nelements":4,"elements":["Ga","Fe","Ni","O"],"chemical_system":"Fe-Ga-Ni-O","density":5.7247749431468105,"density_atomic":0.0972080785679695,"volume":144.0209518204906,"volume_molar":6.195103173229804,"formula_full":"Ga2 Fe2 Ni2 O8","formula_reduced":"GaFeNiO4","formula_anonymous":"ABCD4","energy_above_hull":2.0151506035714286,"spacegroup":74},{"id":"jvasp-109750","created_at":"2022-09-04T14:38:20.588579Z","updated_at":"2022-09-04T14:38:20.588604Z","structure_string":"Ga1 Cu1 Sn1 Se4\n1.0\n5.140667 0.028221 -4.604878\n-1.007641 5.041023 -4.604878\n-0.023009 -0.028221 6.901509\nGa Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.653507 0.655881 0.556700 Se\n0.099181 0.096805 0.443299 Se\n0.903195 0.346493 0.002375 Se\n0.344119 0.900819 0.997625 Se\n","nsites":7,"nelements":4,"elements":["Ga","Cu","Sn","Se"],"chemical_system":"Cu-Ga-Se-Sn","density":5.3056542197577805,"density_atomic":0.03938927295919604,"volume":177.7133588439525,"volume_molar":15.288783741295328,"formula_full":"Ga1 Cu1 Sn1 Se4","formula_reduced":"GaCuSnSe4","formula_anonymous":"ABCD4","energy_above_hull":0.7727239916666668,"spacegroup":82},{"id":"jvasp-110329","created_at":"2022-09-04T14:38:38.810344Z","updated_at":"2022-09-04T14:38:38.810360Z","structure_string":"Ga1 Cu3 Hg1 Se4\n1.0\n5.940182 -0.000000 0.000000\n0.000000 5.940182 0.000000\n-0.000000 -0.000000 5.940182\nGa Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.238171 0.238171 0.238171 Se\n0.761829 0.761829 0.238171 Se\n0.238171 0.761829 0.761829 Se\n0.761829 0.238171 0.761829 Se\n","nsites":9,"nelements":4,"elements":["Ga","Cu","Hg","Se"],"chemical_system":"Cu-Ga-Hg-Se","density":6.153950920056448,"density_atomic":0.04293814271170329,"volume":209.6038494358757,"volume_molar":14.025154279341002,"formula_full":"Ga1 Cu3 Hg1 Se4","formula_reduced":"GaCu3HgSe4","formula_anonymous":"ABC3D4","energy_above_hull":0.2784813046296294,"spacegroup":215},{"id":"jvasp-101463","created_at":"2022-09-04T14:36:48.414970Z","updated_at":"2022-09-04T14:36:48.414987Z","structure_string":"Ga1 Cu1 Ge1 Se4\n1.0\n5.040406 0.009006 -4.407726\n-1.032864 4.933454 -4.407726\n-0.007303 -0.009006 6.695796\nGa Cu Ge Se\n1 1 1 4\ndirect\n0.500001 0.500000 -0.000000 Ga\n0.250001 0.749999 0.500000 Cu\n0.750001 0.250000 0.500000 Ge\n0.112955 0.115324 0.462774 Se\n0.652552 0.650181 0.537227 Se\n0.349820 0.887045 0.002369 Se\n0.884677 0.347449 0.997631 Se\n","nsites":7,"nelements":4,"elements":["Ga","Cu","Ge","Se"],"chemical_system":"Cu-Ga-Ge-Se","density":5.2140193332121,"density_atomic":0.042126943899405536,"volume":166.16443900405457,"volume_molar":14.29522344269787,"formula_full":"Ga1 Cu1 Ge1 Se4","formula_reduced":"GaCuGeSe4","formula_anonymous":"ABCD4","energy_above_hull":0.8413360273809526,"spacegroup":82},{"id":"jvasp-105502","created_at":"2022-09-04T14:36:49.022647Z","updated_at":"2022-09-04T14:36:49.022670Z","structure_string":"Ga2 Cu1 Ag1 Se4\n1.0\n5.308217 0.014424 -4.552923\n-1.112758 5.190294 -4.552923\n-0.011627 -0.014424 6.993293\nGa Cu Ag Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.500000 0.499999 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.249999 0.750000 0.500000 Ag\n0.645941 0.620666 0.503632 Se\n0.117034 0.142309 0.496368 Se\n0.857690 0.354058 0.974723 Se\n0.379333 0.882965 0.025276 Se\n","nsites":8,"nelements":4,"elements":["Ga","Cu","Ag","Se"],"chemical_system":"Ag-Cu-Ga-Se","density":5.417558804455129,"density_atomic":0.041647092765926305,"volume":192.09023892647855,"volume_molar":14.459930717966065,"formula_full":"Ga2 Cu1 Ag1 Se4","formula_reduced":"Ga2CuAgSe4","formula_anonymous":"ABC2D4","energy_above_hull":0.5239282283333333,"spacegroup":82},{"id":"jvasp-109746","created_at":"2022-09-04T14:38:03.686883Z","updated_at":"2022-09-04T14:38:03.686917Z","structure_string":"Ga2 Cu1 Ag1 S4\n1.0\n5.044293 0.022367 -4.277983\n-1.067768 4.930037 -4.277983\n-0.017959 -0.022367 6.614054\nGa Cu Ag S\n2 1 1 4\ndirect\n0.749999 0.250000 0.500000 Ga\n0.500000 0.500001 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Ag\n0.648363 0.615277 0.498837 S\n0.116439 0.149526 0.501162 S\n0.850473 0.351637 0.966913 S\n0.384723 0.883561 0.033088 S\n","nsites":8,"nelements":4,"elements":["Ga","Cu","Ag","S"],"chemical_system":"Ag-Cu-Ga-S","density":4.4549430519819575,"density_atomic":0.048876447307303346,"volume":163.67801754700372,"volume_molar":12.32115076232258,"formula_full":"Ga2 Cu1 Ag1 S4","formula_reduced":"Ga2CuAgS4","formula_anonymous":"ABC2D4","energy_above_hull":0.799904045,"spacegroup":82},{"id":"jvasp-109402","created_at":"2022-09-04T14:38:19.080500Z","updated_at":"2022-09-04T14:38:19.080528Z","structure_string":"Ga2 Ag2 Te2 Se2\n1.0\n5.688247 0.022016 -4.607083\n-1.260515 5.442686 -4.729706\n0.032202 -0.022016 7.319859\nGa Ag Te Se\n2 2 2 2\ndirect\n0.130922 0.880923 0.250000 Ga\n0.369077 0.619077 0.750000 Ga\n0.639401 0.389401 0.250000 Ag\n0.860599 0.110599 0.750001 Ag\n0.250000 0.510323 0.260323 Te\n0.750000 0.989678 0.239677 Te\n0.466242 0.250000 0.716243 Se\n0.033756 0.750000 0.783757 Se\n","nsites":8,"nelements":4,"elements":["Ga","Ag","Te","Se"],"chemical_system":"Ag-Ga-Se-Te","density":5.6225979413644245,"density_atomic":0.03525703030627952,"volume":226.90510035881113,"volume_molar":17.08068066903359,"formula_full":"Ga2 Ag2 Te2 Se2","formula_reduced":"GaAgTeSe","formula_anonymous":"ABCD","energy_above_hull":0.3143251795833334,"spacegroup":24},{"id":"jvasp-105503","created_at":"2022-09-04T14:36:48.661201Z","updated_at":"2022-09-04T14:36:48.661221Z","structure_string":"Ga2 Ag2 Te1 Se3\n1.0\n6.468860 0.000764 2.990757\n3.611740 5.366701 2.990757\n-0.014681 -0.007817 6.196890\nGa Ag Te Se\n2 2 1 3\ndirect\n0.742942 0.512431 0.613449 Ga\n0.487568 0.257058 0.386552 Ga\n0.271157 0.994674 0.127215 Ag\n0.005326 0.728843 0.872786 Ag\n0.857393 0.142607 0.000001 Te\n0.394702 0.605298 0.500001 Se\n0.120029 0.379112 0.281731 Se\n0.620888 0.879971 0.718271 Se\n","nsites":8,"nelements":4,"elements":["Ga","Ag","Te","Se"],"chemical_system":"Ag-Ga-Se-Te","density":5.547450204164471,"density_atomic":0.037136886406864224,"volume":215.41924415400948,"volume_molar":16.216062633853152,"formula_full":"Ga2 Ag2 Te1 Se3","formula_reduced":"Ga2Ag2TeSe3","formula_anonymous":"AB2C2D3","energy_above_hull":0.4853858795833333,"spacegroup":5}]}