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"results": [
{
"id": "jvasp-29913",
"created_at": "2022-09-04T14:37:11.432631Z",
"updated_at": "2022-09-04T14:37:11.432641Z",
"structure_string": "Ga2 H6 N2 F6\n1.0\n5.522376 0.000000 0.000000\n0.000000 2.761918 4.813368\n0.000000 -2.761918 4.813368\nGa H N F\n2 6 2 6\ndirect\n0.251143 0.641546 0.141546 Ga\n0.748858 0.141546 0.641546 Ga\n0.024469 0.873133 0.373133 H\n0.975532 0.373133 0.873133 H\n0.284091 0.040812 0.237415 H\n0.715910 0.237415 0.040812 H\n0.715910 0.540813 0.737415 H\n0.284091 0.737415 0.540813 H\n0.205712 0.845678 0.345678 N\n0.794288 0.345678 0.845678 N\n0.500000 0.906196 0.906196 F\n0.500000 0.406196 0.406196 F\n0.000000 0.869147 0.869147 F\n0.000000 0.369147 0.369147 F\n0.288482 0.447673 0.947673 F\n0.711519 0.947673 0.447673 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N",
"density": 3.2513767280585575,
"density_atomic": 0.10896930153836096,
"volume": 146.83034372178156,
"volume_molar": 5.526456235823443,
"formula_full": "Ga2 H6 N2 F6",
"formula_reduced": "GaH3NF3",
"formula_anonymous": "ABC3D3",
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"spacegroup": 39
},
{
"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": [
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"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
}
]
}