HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4548",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4546",
"results": [
{
"id": "jvasp-66130",
"created_at": "2022-09-04T14:35:43.919451Z",
"updated_at": "2022-09-04T14:35:43.919486Z",
"structure_string": "Ba1 Pb1 Se1\n1.0\n0.000000 3.895647 3.895647\n3.895647 -0.000000 3.895647\n3.895647 3.895647 -0.000000\nBa Pb Se\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"Se"
],
"chemical_system": "Ba-Pb-Se",
"density": 5.947307506806958,
"density_atomic": 0.025371869475124313,
"volume": 118.241188452484,
"volume_molar": 23.735502683018172,
"formula_full": "Ba1 Pb1 Se1",
"formula_reduced": "BaPbSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2706833855555555,
"spacegroup": 216
},
{
"id": "jvasp-105684",
"created_at": "2022-09-04T14:35:43.910691Z",
"updated_at": "2022-09-04T14:35:43.910714Z",
"structure_string": "Rb2 Na1 Sb1 I6\n1.0\n7.415985 0.000000 4.281621\n2.471995 6.991859 4.281621\n0.000000 0.000000 8.563243\nRb Na Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751951 0.248049 0.248049 I\n0.248049 0.248049 0.751950 I\n0.248049 0.751951 0.751951 I\n0.248049 0.751951 0.248049 I\n0.751951 0.248049 0.751950 I\n0.751951 0.751951 0.248049 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"I"
],
"chemical_system": "I-Na-Rb-Sb",
"density": 4.028192955335747,
"density_atomic": 0.022521651166227185,
"volume": 444.01717823405903,
"volume_molar": 26.73933947183512,
"formula_full": "Rb2 Na1 Sb1 I6",
"formula_reduced": "Rb2NaSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98253",
"created_at": "2022-09-04T14:35:43.909033Z",
"updated_at": "2022-09-04T14:35:43.909056Z",
"structure_string": "Be12 F24\n1.0\n8.931400 0.026216 -0.596878\n-0.639839 8.908490 -0.596878\n0.024329 0.026216 8.951288\nBe F\n12 24\ndirect\n0.123680 0.672092 0.898076 Be\n0.123680 0.898077 0.672091 Be\n0.876320 0.327909 0.101924 Be\n0.898076 0.672092 0.123680 Be\n0.876320 0.101924 0.327909 Be\n0.672091 0.898077 0.123679 Be\n0.101924 0.876320 0.327909 Be\n0.672091 0.123681 0.898076 Be\n0.327909 0.101924 0.876320 Be\n0.898076 0.123681 0.672091 Be\n0.327909 0.876320 0.101924 Be\n0.101924 0.327909 0.876320 Be\n-0.000000 0.734914 0.265086 F\n0.120974 0.745183 0.745182 F\n0.020279 0.289290 0.020279 F\n0.500000 0.870957 0.129043 F\n0.000000 0.265086 0.734914 F\n0.745183 0.120974 0.745182 F\n0.734914 0.265086 -0.000000 F\n0.289290 0.020279 0.020279 F\n0.879026 0.254818 0.254817 F\n0.265086 0.734914 -0.000000 F\n0.500000 0.129043 0.870957 F\n0.265086 0.000000 0.734914 F\n0.870957 0.129043 0.500000 F\n0.254818 0.879027 0.254817 F\n0.710710 0.979722 0.979721 F\n0.254818 0.254818 0.879026 F\n0.979721 0.710710 0.979721 F\n0.129043 0.870957 0.500000 F\n0.734914 0.000000 0.265086 F\n0.870957 0.500000 0.129043 F\n0.745182 0.745183 0.120973 F\n0.020279 0.020279 0.289290 F\n0.979721 0.979722 0.710709 F\n0.129043 0.500000 0.870957 F\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Be",
"F"
],
"chemical_system": "Be-F",
"density": 1.3144395684785515,
"density_atomic": 0.05051633979403186,
"volume": 712.6407049042207,
"volume_molar": 11.921173989552331,
"formula_full": "Be12 F24",
"formula_reduced": "BeF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0037233333333333,
"spacegroup": 166
},
{
"id": "jvasp-67432",
"created_at": "2022-09-04T14:35:43.908542Z",
"updated_at": "2022-09-04T14:35:43.908562Z",
"structure_string": "Ti1 Be2 Os1\n1.0\n3.022363 0.000000 -0.000000\n0.000000 3.022363 0.000000\n0.000000 -0.000000 5.460551\nTi Be Os\n1 2 1\ndirect\n0.499999 0.499999 0.736248 Ti\n0.000000 0.000000 0.043323 Be\n0.499999 0.499999 0.241198 Be\n0.000000 0.000000 0.479233 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Os"
],
"chemical_system": "Be-Os-Ti",
"density": 8.526389890508959,
"density_atomic": 0.0801918579709429,
"volume": 49.880375654213914,
"volume_molar": 7.5096660837838325,
"formula_full": "Ti1 Be2 Os1",
"formula_reduced": "TiBe2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3323863833333336,
"spacegroup": 99
},
{
"id": "jvasp-86899",
"created_at": "2022-09-04T14:35:43.900005Z",
"updated_at": "2022-09-04T14:35:43.900031Z",
"structure_string": "Zr10 Sb8\n1.0\n8.849291 -0.000000 0.000000\n-4.424646 7.663711 -0.000000\n-0.000000 -0.000000 5.965890\nZr Sb\n10 8\ndirect\n0.281833 0.281833 0.750000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n-0.000000 0.718167 0.750000 Zr\n0.666667 0.333333 0.500000 Zr\n0.281833 0.000000 0.250000 Zr\n-0.000000 0.281833 0.250000 Zr\n0.718167 0.000000 0.750000 Zr\n0.718167 0.718167 0.250000 Zr\n0.333333 0.666667 0.500000 Zr\n-0.000000 0.387810 0.750000 Sb\n0.000000 0.000000 0.500000 Sb\n0.612190 0.612190 0.750000 Sb\n0.387810 0.000000 0.750000 Sb\n0.000000 0.000000 0.000000 Sb\n0.612190 0.000000 0.250000 Sb\n0.387810 0.387810 0.250000 Sb\n-0.000000 0.612190 0.250000 Sb\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Sb"
],
"chemical_system": "Sb-Zr",
"density": 7.741794331557168,
"density_atomic": 0.04448869512505523,
"volume": 404.59716674995764,
"volume_molar": 13.536339384807981,
"formula_full": "Zr10 Sb8",
"formula_reduced": "Zr5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 3.6088018777777777,
"spacegroup": 193
},
{
"id": "jvasp-67114",
"created_at": "2022-09-04T14:35:43.898160Z",
"updated_at": "2022-09-04T14:35:43.898185Z",
"structure_string": "Be1 Cu1 Sn1\n1.0\n1.555449 -2.694117 0.000000\n1.555449 2.694117 -0.000000\n0.000000 -0.000000 5.836048\nBe Cu Sn\n1 1 1\ndirect\n0.000000 0.000000 0.959936 Be\n0.666667 0.333333 0.712089 Cu\n0.333333 0.666667 0.327976 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Sn"
],
"chemical_system": "Be-Cu-Sn",
"density": 6.493378940525683,
"density_atomic": 0.061333842763317825,
"volume": 48.912637213630155,
"volume_molar": 9.818626208109832,
"formula_full": "Be1 Cu1 Sn1",
"formula_reduced": "BeCuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6767094166666666,
"spacegroup": 156
},
{
"id": "jvasp-66094",
"created_at": "2022-09-04T14:35:43.897877Z",
"updated_at": "2022-09-04T14:35:43.897893Z",
"structure_string": "Ba4 Re1 Tc1\n1.0\n-0.000000 4.709327 4.709327\n4.709327 -0.000000 4.709327\n4.709327 4.709327 -0.000000\nBa Re Tc\n4 1 1\ndirect\n0.125516 0.624828 0.624828 Ba\n0.624828 0.624828 0.624828 Ba\n0.624828 0.125516 0.624828 Ba\n0.624828 0.624828 0.125516 Ba\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Tc"
],
"chemical_system": "Ba-Re-Tc",
"density": 6.626069384677307,
"density_atomic": 0.028723986395332777,
"volume": 208.8846554033639,
"volume_molar": 20.96554662405253,
"formula_full": "Ba4 Re1 Tc1",
"formula_reduced": "Ba4ReTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.41095723,
"spacegroup": 216
},
{
"id": "jvasp-92901",
"created_at": "2022-09-04T14:35:43.894051Z",
"updated_at": "2022-09-04T14:35:43.894075Z",
"structure_string": "Mg6 B1 Mo1\n1.0\n6.373276 -0.249853 0.000000\n-3.403017 5.394492 0.000000\n0.000000 0.000000 4.542207\nMg B Mo\n6 1 1\ndirect\n0.181827 0.832675 0.250000 Mg\n0.667325 0.318173 0.250000 Mg\n0.671848 0.828152 0.250000 Mg\n0.327273 0.644783 0.750000 Mg\n0.855218 0.172727 0.750000 Mg\n0.825242 0.674759 0.750000 Mg\n0.260833 0.239167 0.750000 B\n0.210434 0.289566 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"B",
"Mo"
],
"chemical_system": "B-Mg-Mo",
"density": 2.753879891623264,
"density_atomic": 0.05252731551215652,
"volume": 152.3017104909643,
"volume_molar": 11.464779232066945,
"formula_full": "Mg6 B1 Mo1",
"formula_reduced": "Mg6BMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8270503479166667,
"spacegroup": 38
},
{
"id": "jvasp-88588",
"created_at": "2022-09-04T14:35:43.890199Z",
"updated_at": "2022-09-04T14:35:43.890219Z",
"structure_string": "K6 Sb2 N6 O18 F6\n1.0\n7.163234 0.000000 -0.000000\n-0.000000 8.805638 -1.694284\n0.000000 -0.029555 8.967105\nK Sb N O F\n6 2 6 18 6\ndirect\n0.777069 0.029561 0.383429 K\n0.277070 0.970439 0.616572 K\n0.277070 0.383429 0.029561 K\n-0.011187 0.398198 0.601802 K\n0.488813 0.601802 0.398199 K\n0.777069 0.616571 0.970440 K\n0.843082 0.129053 0.870947 Sb\n0.343082 0.870947 0.129054 Sb\n0.979203 0.694449 0.305552 N\n0.479204 0.305551 0.694449 N\n0.757460 0.316975 0.207919 N\n0.257460 0.683024 0.792082 N\n0.757460 0.792081 0.683025 N\n0.257460 0.207919 0.316976 N\n0.751545 0.650333 0.639973 O\n0.808160 0.719465 0.280535 O\n0.064068 0.779881 0.412924 O\n0.154402 0.625275 0.879183 O\n0.751545 0.360027 0.349667 O\n0.251545 0.639973 0.650334 O\n0.308160 0.280534 0.719466 O\n0.871913 0.848324 0.790736 O\n0.564068 0.412923 0.779882 O\n0.871913 0.209265 0.151676 O\n0.654402 0.374724 0.120818 O\n0.654402 0.879183 0.625276 O\n0.371914 0.151676 0.209265 O\n0.154402 0.120817 0.374724 O\n0.251545 0.349667 0.360028 O\n0.371914 0.790735 0.848324 O\n0.564068 0.220119 0.587077 O\n0.064068 0.587076 0.220119 O\n0.445787 0.658327 0.110170 F\n0.098647 0.074647 0.925353 F\n0.598646 0.925353 0.074648 F\n0.945787 0.341673 0.889831 F\n0.445787 0.889830 0.341674 F\n0.945787 0.110169 0.658327 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Sb",
"N",
"O",
"F"
],
"chemical_system": "F-K-N-O-Sb",
"density": 2.8322905561725737,
"density_atomic": 0.06722593919025222,
"volume": 565.2580009698104,
"volume_molar": 8.958061177780039,
"formula_full": "K6 Sb2 N6 O18 F6",
"formula_reduced": "K3SbN3(O3F)3",
"formula_anonymous": "AB3C3D3E9",
"energy_above_hull": 2.287588010394737,
"spacegroup": 36
},
{
"id": "jvasp-66285",
"created_at": "2022-09-04T14:35:43.889560Z",
"updated_at": "2022-09-04T14:35:43.889587Z",
"structure_string": "K1 Ba1 Fe1\n1.0\n0.000000 3.892507 3.892507\n3.892507 -0.000000 3.892507\n3.892507 3.892507 0.000000\nK Ba Fe\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Fe"
],
"chemical_system": "Ba-Fe-K",
"density": 3.269825496600804,
"density_atomic": 0.025433319810546404,
"volume": 117.95550177275692,
"volume_molar": 23.678154503065723,
"formula_full": "K1 Ba1 Fe1",
"formula_reduced": "KBaFe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0357464899999995,
"spacegroup": 216
},
{
"id": "jvasp-12152",
"created_at": "2022-09-04T14:35:43.887366Z",
"updated_at": "2022-09-04T14:35:43.887396Z",
"structure_string": "Zr1 Mo2 O8\n1.0\n4.469426 -0.105698 0.013337\n0.116023 5.425416 2.990657\n-0.018935 0.123036 6.194928\nZr Mo O\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.838343 0.333295 0.333295 Mo\n0.161658 0.666706 0.666706 Mo\n0.752799 0.663309 0.168255 O\n0.247202 0.831746 0.336692 O\n0.247202 0.336692 0.831746 O\n0.247289 0.831755 0.831754 O\n0.752712 0.168246 0.168246 O\n0.222078 0.333360 0.333359 O\n0.777923 0.666641 0.666641 O\n0.752799 0.168255 0.663309 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zr",
"density": 4.592100955323859,
"density_atomic": 0.07399602378528644,
"volume": 148.6566363608752,
"volume_molar": 8.138465355212043,
"formula_full": "Zr1 Mo2 O8",
"formula_reduced": "Zr(MoO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.688724936363637,
"spacegroup": 164
},
{
"id": "jvasp-64721",
"created_at": "2022-09-04T14:35:43.884875Z",
"updated_at": "2022-09-04T14:35:43.884895Z",
"structure_string": "Ba4 Nb1 Hg1\n1.0\n-0.000000 4.968883 4.968883\n4.968883 0.000000 4.968883\n4.968883 4.968883 -0.000000\nBa Nb Hg\n4 1 1\ndirect\n0.125039 0.624987 0.624987 Ba\n0.624987 0.624987 0.624987 Ba\n0.624987 0.125039 0.624987 Ba\n0.624987 0.624987 0.125039 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Hg"
],
"chemical_system": "Ba-Hg-Nb",
"density": 5.703869406711472,
"density_atomic": 0.02445372041546198,
"volume": 245.36143777149863,
"volume_molar": 24.62668525559909,
"formula_full": "Ba4 Nb1 Hg1",
"formula_reduced": "Ba4NbHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6727146466666667,
"spacegroup": 216
}
]
}