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=density&page=1554",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1552",
"results": [
{
"id": "jvasp-106399",
"created_at": "2022-09-04T14:36:52.248301Z",
"updated_at": "2022-09-04T14:36:52.248325Z",
"structure_string": "Yb2 Mg4\n1.0\n5.312001 -0.000000 3.066885\n1.770667 5.008203 3.066885\n-0.000000 -0.000000 6.133771\nYb Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Yb\n0.625000 0.125000 0.625001 Mg\n0.625000 0.625000 0.625001 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125001 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 4.511066182489071,
"density_atomic": 0.03676915254411882,
"volume": 163.1802634776714,
"volume_molar": 16.378241931940405,
"formula_full": "Yb2 Mg4",
"formula_reduced": "YbMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0787723809523809,
"spacegroup": 227
},
{
"id": "jvasp-4864",
"created_at": "2022-09-04T14:37:04.161022Z",
"updated_at": "2022-09-04T14:37:04.161038Z",
"structure_string": "Ba4 B4 O4 F12\n1.0\n5.129331 -0.000000 0.000000\n0.000000 6.863170 0.000000\n0.000000 0.000000 9.248921\nBa B O F\n4 4 4 12\ndirect\n0.250000 0.327883 0.691187 Ba\n0.750000 0.672117 0.308813 Ba\n0.750000 0.827883 0.808813 Ba\n0.250000 0.172117 0.191187 Ba\n0.250000 0.824745 0.578244 B\n0.750000 0.175255 0.421756 B\n0.750000 0.324745 0.921755 B\n0.250000 0.675255 0.078244 B\n0.250000 0.936306 0.697799 O\n0.250000 0.563694 0.197799 O\n0.750000 0.436306 0.802200 O\n0.750000 0.063694 0.302200 O\n0.975300 0.316256 0.429983 F\n0.250000 0.585627 0.935554 F\n0.750000 0.414373 0.064446 F\n0.750000 0.085627 0.564446 F\n0.250000 0.914373 0.435554 F\n0.524700 0.316256 0.429983 F\n0.975300 0.183744 0.929983 F\n0.475300 0.816255 0.070017 F\n0.024700 0.683744 0.570017 F\n0.024700 0.816255 0.070017 F\n0.524700 0.183744 0.929983 F\n0.475300 0.683744 0.570017 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"O",
"F"
],
"chemical_system": "B-Ba-F-O",
"density": 4.511129849840944,
"density_atomic": 0.07371140511815688,
"volume": 325.5941188684277,
"volume_molar": 8.169890060224347,
"formula_full": "Ba4 B4 O4 F12",
"formula_reduced": "BaBOF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.5879671501388889,
"spacegroup": 62
},
{
"id": "jvasp-109386",
"created_at": "2022-09-04T14:38:02.232676Z",
"updated_at": "2022-09-04T14:38:02.232702Z",
"structure_string": "Mg1 Mn3 Te4\n1.0\n4.502335 -0.000000 0.000000\n0.000000 4.502335 0.000000\n-0.000000 -0.000000 12.702415\nMg Mn Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.746960 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.499999 0.253040 Mn\n-0.000000 0.499999 0.623536 Te\n0.499999 0.000000 0.376464 Te\n-0.000000 0.499999 0.130941 Te\n0.499999 0.000000 0.869060 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 4.511145004283313,
"density_atomic": 0.031069057419226328,
"volume": 257.49091425764965,
"volume_molar": 19.383081626008213,
"formula_full": "Mg1 Mn3 Te4",
"formula_reduced": "MgMn3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2334264801005745,
"spacegroup": 115
},
{
"id": "jvasp-27812",
"created_at": "2022-09-04T14:37:10.660807Z",
"updated_at": "2022-09-04T14:37:10.660823Z",
"structure_string": "Rb6 As2 Se32\n1.0\n10.254503 0.000000 5.920440\n3.418168 9.668038 5.920440\n0.000000 0.000000 11.840880\nRb As Se\n6 2 32\ndirect\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.500000 -0.000000 0.000000 Rb\n0.125000 0.125000 0.125000 As\n0.875000 0.875000 0.875000 As\n0.468331 0.053611 0.303582 Se\n0.053611 0.468331 0.674476 Se\n0.674476 0.468331 0.303582 Se\n0.674476 0.053611 0.468331 Se\n0.468331 0.303582 0.674476 Se\n0.303582 0.468331 0.053611 Se\n0.468331 0.674476 0.053611 Se\n0.303582 0.053611 0.674476 Se\n0.053611 0.674476 0.303582 Se\n0.674476 0.303582 0.053611 Se\n0.696418 0.325524 0.531669 Se\n0.531669 0.946389 0.696418 Se\n0.946389 0.531669 0.325524 Se\n0.325524 0.531669 0.696418 Se\n0.303582 0.674476 0.468331 Se\n0.325524 0.946389 0.531669 Se\n0.531669 0.696418 0.325524 Se\n0.696418 0.531669 0.946389 Se\n0.053611 0.303582 0.468331 Se\n0.696418 0.946389 0.325524 Se\n0.946389 0.325524 0.696418 Se\n0.325524 0.696418 0.946389 Se\n0.793281 0.793281 0.793281 Se\n0.120157 0.793281 0.793281 Se\n0.793281 0.793281 0.120156 Se\n0.793281 0.120156 0.793281 Se\n0.206719 0.206719 0.206719 Se\n0.879844 0.206719 0.206719 Se\n0.206719 0.206719 0.879845 Se\n0.206719 0.879845 0.206719 Se\n0.946389 0.696418 0.531669 Se\n0.531669 0.325524 0.946389 Se\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Rb",
"As",
"Se"
],
"chemical_system": "As-Rb-Se",
"density": 4.511459440430067,
"density_atomic": 0.03407399429064625,
"volume": 1173.9157921670637,
"volume_molar": 17.673715352042407,
"formula_full": "Rb6 As2 Se32",
"formula_reduced": "Rb3AsSe16",
"formula_anonymous": "AB3C16",
"energy_above_hull": 1.358622780833333,
"spacegroup": 203
},
{
"id": "jvasp-25548",
"created_at": "2022-09-04T14:38:09.976337Z",
"updated_at": "2022-09-04T14:38:09.976360Z",
"structure_string": "Rb6 As2 Se32\n1.0\n10.254503 0.000000 5.920440\n3.418168 9.668038 5.920440\n0.000000 0.000000 11.840880\nRb As Se\n6 2 32\ndirect\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.500000 -0.000000 0.000000 Rb\n0.125000 0.125000 0.125000 As\n0.875000 0.875000 0.875000 As\n0.468331 0.053611 0.303582 Se\n0.053611 0.468331 0.674476 Se\n0.674476 0.468331 0.303582 Se\n0.674476 0.053611 0.468331 Se\n0.468331 0.303582 0.674476 Se\n0.303582 0.468331 0.053611 Se\n0.468331 0.674476 0.053611 Se\n0.303582 0.053611 0.674476 Se\n0.053611 0.674476 0.303582 Se\n0.674476 0.303582 0.053611 Se\n0.696418 0.325524 0.531669 Se\n0.531669 0.946389 0.696418 Se\n0.946389 0.531669 0.325524 Se\n0.325524 0.531669 0.696418 Se\n0.303582 0.674476 0.468331 Se\n0.325524 0.946389 0.531669 Se\n0.531669 0.696418 0.325524 Se\n0.696418 0.531669 0.946389 Se\n0.053611 0.303582 0.468331 Se\n0.696418 0.946389 0.325524 Se\n0.946389 0.325524 0.696418 Se\n0.325524 0.696418 0.946389 Se\n0.793281 0.793281 0.793281 Se\n0.120157 0.793281 0.793281 Se\n0.793281 0.793281 0.120156 Se\n0.793281 0.120156 0.793281 Se\n0.206719 0.206719 0.206719 Se\n0.879844 0.206719 0.206719 Se\n0.206719 0.206719 0.879845 Se\n0.206719 0.879845 0.206719 Se\n0.946389 0.696418 0.531669 Se\n0.531669 0.325524 0.946389 Se\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Rb",
"As",
"Se"
],
"chemical_system": "As-Rb-Se",
"density": 4.511459440430067,
"density_atomic": 0.03407399429064625,
"volume": 1173.9157921670637,
"volume_molar": 17.673715352042407,
"formula_full": "Rb6 As2 Se32",
"formula_reduced": "Rb3AsSe16",
"formula_anonymous": "AB3C16",
"energy_above_hull": 1.358622780833333,
"spacegroup": 203
},
{
"id": "jvasp-103117",
"created_at": "2022-09-04T14:36:35.630316Z",
"updated_at": "2022-09-04T14:36:35.630344Z",
"structure_string": "Cd3 Fe1 S4\n1.0\n4.071069 0.000000 -0.000000\n0.000000 4.071069 0.000000\n-0.000000 0.000000 11.577871\nCd Fe S\n3 1 4\ndirect\n0.000000 0.000000 0.764432 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.235568 Cd\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.367814 S\n0.500000 0.000000 0.101681 S\n0.000000 0.500000 0.898319 S\n0.500000 0.000000 0.632186 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Fe",
"S"
],
"chemical_system": "Cd-Fe-S",
"density": 4.511519575827217,
"density_atomic": 0.0416911960171958,
"volume": 191.88703525560527,
"volume_molar": 14.444634204104219,
"formula_full": "Cd3 Fe1 S4",
"formula_reduced": "Cd3FeS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.7075868437499999,
"spacegroup": 115
},
{
"id": "jvasp-40472",
"created_at": "2022-09-04T14:37:44.520149Z",
"updated_at": "2022-09-04T14:37:44.520162Z",
"structure_string": "Ba3 Ca1 I8\n1.0\n0.000000 8.146856 0.000000\n8.146856 -0.000000 0.000000\n4.073428 4.073428 -8.136930\nBa Ca I\n3 1 8\ndirect\n0.750000 0.250000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.636814 0.120679 0.242506 I\n0.120679 0.120679 0.242506 I\n0.363187 0.363187 0.757494 I\n0.879321 0.363187 0.757494 I\n0.120679 0.636814 0.242506 I\n0.636814 0.636814 0.242506 I\n0.879321 0.879321 0.757494 I\n0.363187 0.879321 0.757494 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.511550304543348,
"density_atomic": 0.022219822544042887,
"volume": 540.0583184773088,
"volume_molar": 27.102560103993856,
"formula_full": "Ba3 Ca1 I8",
"formula_reduced": "Ba3CaI8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-18669",
"created_at": "2022-09-04T14:36:36.081371Z",
"updated_at": "2022-09-04T14:36:36.081397Z",
"structure_string": "Sc4 Co2\n1.0\n5.017062 0.048891 -1.487801\n-2.784321 4.173830 -1.487801\n-0.025850 -0.048891 5.232953\nSc Co\n4 2\ndirect\n0.321406 0.821406 0.142812 Sc\n0.821405 0.678594 0.500000 Sc\n0.678594 0.178594 0.857187 Sc\n0.178594 0.321406 0.500000 Sc\n0.750000 0.750000 0.000000 Co\n0.250000 0.250000 0.000000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Co"
],
"chemical_system": "Co-Sc",
"density": 4.5116655250016375,
"density_atomic": 0.054761425767942885,
"volume": 109.56617574979897,
"volume_molar": 10.9970488816698,
"formula_full": "Sc4 Co2",
"formula_reduced": "Sc2Co",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4091704666666667,
"spacegroup": 140
},
{
"id": "jvasp-48296",
"created_at": "2022-09-04T14:36:33.273065Z",
"updated_at": "2022-09-04T14:36:33.273094Z",
"structure_string": "Li3 V2 Fe3 O10\n1.0\n4.990983 -0.204105 0.041884\n0.880668 4.811852 0.258449\n2.190731 1.957123 6.973115\nLi V Fe O\n3 2 3 10\ndirect\n0.505414 0.784899 0.408064 Li\n0.000000 0.500000 0.500000 Li\n0.494586 0.215102 0.591935 Li\n-0.017140 0.839700 0.706833 V\n0.017140 0.160300 0.293166 V\n0.500000 0.000001 -0.000000 Fe\n0.990588 0.310689 0.893292 Fe\n0.009412 0.689311 0.106707 Fe\n0.233254 0.363442 0.043995 O\n0.773328 0.210927 0.753888 O\n0.769748 0.449936 0.342981 O\n0.230253 0.550064 0.657018 O\n0.206554 0.965572 0.859669 O\n0.766746 0.636558 0.956004 O\n0.774102 0.868974 0.543400 O\n0.225898 0.131027 0.456599 O\n0.226672 0.789074 0.246111 O\n0.793446 0.034429 0.140330 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.511709490599056,
"density_atomic": 0.10862387271982123,
"volume": 165.70942969809468,
"volume_molar": 5.544030616118059,
"formula_full": "Li3 V2 Fe3 O10",
"formula_reduced": "Li3V2Fe3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.0457383277777774,
"spacegroup": 2
},
{
"id": "jvasp-12941",
"created_at": "2022-09-04T14:36:55.249574Z",
"updated_at": "2022-09-04T14:36:55.249590Z",
"structure_string": "Zr2 Te4 Br10\n1.0\n7.897536 0.050234 -3.776833\n-2.998642 7.577999 -3.196894\n-0.117528 -0.052984 9.239114\nZr Te Br\n2 4 10\ndirect\n0.815248 0.815247 0.000001 Zr\n0.184753 0.184753 0.000000 Zr\n0.833008 0.333008 0.500000 Te\n0.166992 0.666992 0.500000 Te\n0.798456 0.568126 0.366582 Te\n0.201545 0.431874 0.633418 Te\n0.410354 0.149336 0.898908 Br\n0.250428 0.511445 0.101092 Br\n0.589647 0.850664 0.101092 Br\n0.749573 0.488555 0.898909 Br\n0.411406 0.252172 0.340575 Br\n0.911598 0.070831 0.659426 Br\n0.084615 0.834205 0.918820 Br\n0.915385 0.165795 0.081181 Br\n0.088403 0.929169 0.340575 Br\n0.588595 0.747828 0.659426 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Te",
"Br"
],
"chemical_system": "Br-Te-Zr",
"density": 4.512068628342996,
"density_atomic": 0.029141396574597363,
"volume": 549.0471247334538,
"volume_molar": 20.665244181363352,
"formula_full": "Zr2 Te4 Br10",
"formula_reduced": "ZrTe2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.7126200697916668,
"spacegroup": 12
},
{
"id": "jvasp-106548",
"created_at": "2022-09-04T14:36:46.622508Z",
"updated_at": "2022-09-04T14:36:46.622524Z",
"structure_string": "Li1 Al1 Zn2\n1.0\n3.818795 0.000000 2.204782\n1.272932 3.600394 2.204782\n0.000000 0.000000 4.409565\nLi Al Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.500000 Al\n0.250000 0.250000 0.250000 Zn\n0.749999 0.749999 0.749999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Zn"
],
"chemical_system": "Al-Li-Zn",
"density": 4.5120869037134215,
"density_atomic": 0.06597628657966521,
"volume": 60.62784384159102,
"volume_molar": 9.127735239734006,
"formula_full": "Li1 Al1 Zn2",
"formula_reduced": "LiAlZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-4041",
"created_at": "2022-09-04T14:36:59.023344Z",
"updated_at": "2022-09-04T14:36:59.023371Z",
"structure_string": "Ti1 Cu4 S4\n1.0\n4.962170 0.000000 -2.274248\n-1.042327 4.851463 -2.274248\n0.008206 0.010157 6.568496\nTi Cu S\n1 4 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 -0.000000 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.258627 0.258626 0.517253 Cu\n0.741374 0.741374 0.482747 Cu\n0.881522 0.881522 0.250635 S\n0.630887 0.118478 0.749365 S\n0.118478 0.630887 0.749365 S\n0.369113 0.369113 0.250635 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ti",
"density": 4.51223901031676,
"density_atomic": 0.056833324328341664,
"volume": 158.35779635209332,
"volume_molar": 10.596143778619115,
"formula_full": "Ti1 Cu4 S4",
"formula_reduced": "Ti(CuS)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.2028355703703704,
"spacegroup": 121
}
]
}