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=-nelements&page=482",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=480",
"results": [
{
"id": "jvasp-10576",
"created_at": "2022-09-04T14:37:16.371529Z",
"updated_at": "2022-09-04T14:37:16.371550Z",
"structure_string": "Ba1 Al2 B2 O7\n1.0\n4.843418 0.003038 7.268412\n2.202124 4.313858 7.268412\n0.004960 0.003038 8.734328\nBa Al B O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Ba\n0.568622 0.568623 0.568622 Al\n0.431378 0.431379 0.431378 Al\n0.736651 0.736653 0.736651 B\n0.263348 0.263349 0.263348 B\n0.481869 0.960507 0.356314 O\n0.356314 0.481871 0.960507 O\n0.960506 0.356315 0.481870 O\n0.500000 0.500001 0.500000 O\n0.039493 0.518130 0.643686 O\n0.643686 0.039494 0.518129 O\n0.518129 0.643686 0.039493 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Ba-O",
"density": 2.9608078730944007,
"density_atomic": 0.06585399628317477,
"volume": 182.22128765579433,
"volume_molar": 9.144685364430366,
"formula_full": "Ba1 Al2 B2 O7",
"formula_reduced": "BaAl2B2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.691605103055556,
"spacegroup": 155
},
{
"id": "jvasp-34252",
"created_at": "2022-09-04T14:37:08.895161Z",
"updated_at": "2022-09-04T14:37:08.895175Z",
"structure_string": "Ba1 Cu1 B2 O5\n1.0\n4.007075 -0.014074 -0.257962\n-0.481475 5.305111 -1.886151\n-0.014962 -0.007571 5.650968\nBa Cu B O\n1 1 2 5\ndirect\n-0.000001 0.995970 0.004029 Ba\n0.500000 0.407219 0.592782 Cu\n0.401395 0.871003 0.485501 B\n0.598603 0.514499 0.128999 B\n0.499998 0.762059 0.237941 O\n0.535170 0.333604 0.235638 O\n0.464830 0.764364 0.666397 O\n0.238415 0.083147 0.538663 O\n0.761581 0.461336 0.916854 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"B",
"O"
],
"chemical_system": "B-Ba-Cu-O",
"density": 4.185453983284888,
"density_atomic": 0.07499323531365873,
"volume": 120.01082447446836,
"volume_molar": 8.030245307876685,
"formula_full": "Ba1 Cu1 B2 O5",
"formula_reduced": "BaCuB2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.411573231851852,
"spacegroup": 5
},
{
"id": "jvasp-103572",
"created_at": "2022-09-04T14:37:09.498124Z",
"updated_at": "2022-09-04T14:37:09.498148Z",
"structure_string": "Na2 Hg1 As1 Br6\n1.0\n6.770490 -0.000000 3.908944\n2.256830 6.383279 3.908944\n-0.000000 -0.000000 7.817889\nNa Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.759321 0.240678 0.240678 Br\n0.240678 0.240679 0.759321 Br\n0.240678 0.759321 0.759320 Br\n0.240678 0.759322 0.240679 Br\n0.759321 0.240678 0.759321 Br\n0.759321 0.759322 0.240677 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Hg-Na",
"density": 3.9362454549677466,
"density_atomic": 0.029596923647288515,
"volume": 337.8729532559421,
"volume_molar": 20.34718483504183,
"formula_full": "Na2 Hg1 As1 Br6",
"formula_reduced": "Na2HgAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-32637",
"created_at": "2022-09-04T14:37:34.245954Z",
"updated_at": "2022-09-04T14:37:34.245990Z",
"structure_string": "Cd1 Sb6 S8 I4\n1.0\n7.026764 -0.010127 2.420766\n0.987983 8.865817 -0.022662\n0.049502 -0.168293 8.958589\nCd Sb S I\n1 6 8 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.247185 0.357169 0.847045 Sb\n0.239189 0.066051 0.555436 Sb\n0.752813 0.642832 0.152957 Sb\n0.223607 0.701160 0.209825 Sb\n0.776391 0.298840 0.790176 Sb\n0.760810 0.933949 0.444565 Sb\n0.090949 0.989608 0.276486 S\n0.338285 0.068771 0.807169 S\n0.904122 0.641640 0.390575 S\n0.095877 0.358360 0.609426 S\n0.914263 0.312801 0.022342 S\n0.085736 0.687200 0.977659 S\n0.661713 0.931230 0.192832 S\n0.909050 0.010392 0.723515 S\n0.646938 0.668048 0.845917 I\n0.353061 0.331952 0.154084 I\n0.648918 0.287547 0.463557 I\n0.351080 0.712454 0.536444 I\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"I"
],
"chemical_system": "Cd-I-S-Sb",
"density": 4.793724471124876,
"density_atomic": 0.03412968430957776,
"volume": 556.7001390243759,
"volume_molar": 17.644876833244002,
"formula_full": "Cd1 Sb6 S8 I4",
"formula_reduced": "CdSb6(S2I)4",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 1.4154032342105265,
"spacegroup": 2
},
{
"id": "jvasp-11114",
"created_at": "2022-09-04T14:37:32.927698Z",
"updated_at": "2022-09-04T14:37:32.927732Z",
"structure_string": "Sr2 Lu2 Cu2 S6\n1.0\n3.892563 0.000000 0.000000\n-1.946282 6.469782 0.000000\n0.000000 -0.000000 9.970818\nSr Lu Cu S\n2 2 2 6\ndirect\n0.251649 0.503300 0.750000 Sr\n0.748350 0.496700 0.250000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470712 0.941423 0.250000 Cu\n0.529288 0.058577 0.750000 Cu\n0.924413 0.848826 0.750000 S\n0.075587 0.151173 0.250000 S\n0.363670 0.727339 0.062151 S\n0.363670 0.727339 0.437849 S\n0.636329 0.272660 0.562151 S\n0.636329 0.272660 0.937849 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Lu",
"Cu",
"S"
],
"chemical_system": "Cu-Lu-S-Sr",
"density": 5.585639237810704,
"density_atomic": 0.04778869372094615,
"volume": 251.1054198315596,
"volume_molar": 12.601601531871228,
"formula_full": "Sr2 Lu2 Cu2 S6",
"formula_reduced": "SrLuCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.8093537516666667,
"spacegroup": 63
},
{
"id": "jvasp-56525",
"created_at": "2022-09-04T14:37:32.912440Z",
"updated_at": "2022-09-04T14:37:32.912456Z",
"structure_string": "Sr1 Al1 Si1 H1\n1.0\n2.117948 -3.668395 0.000000\n2.117948 3.668395 -0.000000\n0.000000 0.000000 4.960583\nSr Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000869 Sr\n0.666668 0.333333 0.459576 Al\n0.333333 0.666668 0.556910 Si\n0.666668 0.333333 0.105644 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Al",
"Si",
"H"
],
"chemical_system": "Al-H-Si-Sr",
"density": 3.095541190844026,
"density_atomic": 0.05189265475441729,
"volume": 77.08220014817233,
"volume_molar": 11.604996484569664,
"formula_full": "Sr1 Al1 Si1 H1",
"formula_reduced": "SrAlSiH",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.5711594275,
"spacegroup": 156
},
{
"id": "jvasp-101437",
"created_at": "2022-09-04T14:37:08.992013Z",
"updated_at": "2022-09-04T14:37:08.992033Z",
"structure_string": "Na1 Th1 Ti2 O6\n1.0\n3.905728 0.000000 0.000000\n0.000000 3.905728 0.000000\n0.000000 -0.000000 7.844988\nNa Th Ti O\n1 1 2 6\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.242639 Ti\n0.000000 0.000000 0.757361 Ti\n0.000000 0.500000 0.282417 O\n0.000000 0.500000 0.717583 O\n0.500000 0.000000 0.282417 O\n0.500000 0.000000 0.717583 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Th",
"Ti",
"O"
],
"chemical_system": "Na-O-Th-Ti",
"density": 6.199053499766499,
"density_atomic": 0.08356101873585949,
"volume": 119.67302638578995,
"volume_molar": 7.206878100704212,
"formula_full": "Na1 Th1 Ti2 O6",
"formula_reduced": "NaThTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6430302266666663,
"spacegroup": 123
},
{
"id": "jvasp-57829",
"created_at": "2022-09-04T14:37:16.458995Z",
"updated_at": "2022-09-04T14:37:16.459020Z",
"structure_string": "Na2 Ag2 N4 O8\n1.0\n6.106376 -0.103884 -2.214843\n-2.992965 5.323606 -2.214843\n0.130809 0.219306 6.734666\nNa Ag N O\n2 2 4 8\ndirect\n0.763575 0.236426 0.500001 Na\n0.513575 0.486426 0.000001 Na\n0.249144 0.750858 0.500001 Ag\n0.999144 0.000857 0.000001 Ag\n0.519375 0.480627 0.500001 N\n0.269374 0.730626 0.000001 N\n0.793944 0.206058 0.000001 N\n0.043943 0.956058 0.500001 N\n0.791260 0.329819 0.186868 O\n0.670183 0.208741 0.813135 O\n0.854394 0.892952 0.313135 O\n0.410338 0.502917 0.320732 O\n0.107050 0.145607 0.686867 O\n0.067814 0.660394 0.820732 O\n0.497084 0.589664 0.679271 O\n0.339607 0.932187 0.179271 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-Na-O",
"density": 3.321682258839942,
"density_atomic": 0.07180412129787445,
"volume": 222.82843534321802,
"volume_molar": 8.38690126854636,
"formula_full": "Na2 Ag2 N4 O8",
"formula_reduced": "NaAg(NO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.691583345,
"spacegroup": 43
},
{
"id": "jvasp-49194",
"created_at": "2022-09-04T14:37:16.299685Z",
"updated_at": "2022-09-04T14:37:16.299715Z",
"structure_string": "Er4 Be4 Ge2 O14\n1.0\n7.385603 0.000000 0.000000\n0.000000 7.385603 -0.000000\n0.000000 0.000000 4.784556\nEr Be Ge O\n4 4 2 14\ndirect\n0.657686 0.842313 0.505683 Er\n0.157687 0.657686 0.494317 Er\n0.842313 0.342313 0.494317 Er\n0.342313 0.157687 0.505683 Er\n0.364134 0.864133 0.050231 Be\n0.864133 0.635866 0.949770 Be\n0.635866 0.135866 0.050231 Be\n0.135866 0.364134 0.949770 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.857515 0.642484 0.282139 O\n0.357516 0.857515 0.717862 O\n0.642484 0.142484 0.717862 O\n0.142484 0.357516 0.282139 O\n0.500000 0.000000 0.189859 O\n0.000000 0.500000 0.810142 O\n0.171370 0.917703 0.222057 O\n0.328630 0.417703 0.777944 O\n0.417703 0.671370 0.222057 O\n0.582296 0.328630 0.222057 O\n0.082297 0.171370 0.777944 O\n0.917703 0.828630 0.777944 O\n0.671370 0.582296 0.777944 O\n0.828630 0.082297 0.222057 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Er",
"Be",
"Ge",
"O"
],
"chemical_system": "Be-Er-Ge-O",
"density": 6.835713987527168,
"density_atomic": 0.0919597286732946,
"volume": 260.98380613175595,
"volume_molar": 6.548671735858273,
"formula_full": "Er4 Be4 Ge2 O14",
"formula_reduced": "Er2Be2GeO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.1883268875,
"spacegroup": 113
},
{
"id": "jvasp-21966",
"created_at": "2022-09-04T14:37:31.591367Z",
"updated_at": "2022-09-04T14:37:31.591392Z",
"structure_string": "Ba2 Tm1 Re1 O6\n1.0\n5.127214 0.000000 2.960199\n1.709071 4.833984 2.960199\n-0.000000 -0.000000 5.920397\nBa Tm Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750001 Ba\n0.500000 0.500000 0.500001 Tm\n0.000000 0.000000 0.000000 Re\n0.236923 0.763077 0.763078 O\n0.236923 0.763077 0.236923 O\n0.763077 0.236923 0.763078 O\n0.236923 0.236923 0.763078 O\n0.763077 0.236923 0.236924 O\n0.763077 0.763077 0.236924 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Re",
"O"
],
"chemical_system": "Ba-O-Re-Tm",
"density": 8.213411048584408,
"density_atomic": 0.06814947540025658,
"volume": 146.73627260177486,
"volume_molar": 8.836664882056196,
"formula_full": "Ba2 Tm1 Re1 O6",
"formula_reduced": "Ba2TmReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.375817519,
"spacegroup": 225
},
{
"id": "jvasp-21879",
"created_at": "2022-09-04T14:37:31.546746Z",
"updated_at": "2022-09-04T14:37:31.546774Z",
"structure_string": "Rb2 U2 Ag2 S6\n1.0\n4.049593 0.000000 -0.000000\n-2.024797 7.255596 -0.000000\n0.000000 0.000000 10.410292\nRb U Ag S\n2 2 2 6\ndirect\n0.739459 0.478919 0.250000 Rb\n0.260540 0.521082 0.750000 Rb\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.550633 0.101267 0.750000 Ag\n0.449366 0.898734 0.250000 Ag\n0.376549 0.753101 0.035398 S\n0.623449 0.246900 0.964602 S\n0.623449 0.246900 0.535398 S\n0.058261 0.116523 0.250000 S\n0.941738 0.883478 0.750000 S\n0.376549 0.753101 0.464602 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"U",
"Ag",
"S"
],
"chemical_system": "Ag-Rb-S-U",
"density": 5.72800643942288,
"density_atomic": 0.03923140527980416,
"volume": 305.87739374652097,
"volume_molar": 15.350306003695776,
"formula_full": "Rb2 U2 Ag2 S6",
"formula_reduced": "RbUAgS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.737575543333333,
"spacegroup": 63
},
{
"id": "jvasp-49715",
"created_at": "2022-09-04T14:37:16.762400Z",
"updated_at": "2022-09-04T14:37:16.762425Z",
"structure_string": "Sc2 Zn2 Mo6 O16\n1.0\n2.912861 -5.045224 -0.000000\n2.912861 5.045224 0.000000\n0.000000 0.000000 10.124470\nSc Zn Mo O\n2 2 6 16\ndirect\n0.666667 0.333333 0.013829 Sc\n0.333333 0.666667 0.513829 Sc\n0.666667 0.333333 0.452784 Zn\n0.333333 0.666667 0.952784 Zn\n0.855664 0.144336 0.751027 Mo\n0.144336 0.288672 0.251027 Mo\n0.711328 0.855664 0.251027 Mo\n0.144336 0.855664 0.251027 Mo\n0.288672 0.144336 0.751027 Mo\n0.855664 0.711328 0.751027 Mo\n0.489450 0.978900 0.366215 O\n0.666667 0.333333 0.647540 O\n0.333333 0.666667 0.147540 O\n0.000000 0.000000 0.891510 O\n0.000000 0.000000 0.391510 O\n0.510549 0.021099 0.866215 O\n0.021099 0.510549 0.366215 O\n0.165017 0.330034 0.628602 O\n0.165017 0.834983 0.628602 O\n0.330034 0.165017 0.128602 O\n0.834983 0.669966 0.128602 O\n0.489450 0.510549 0.366215 O\n0.669966 0.834983 0.628602 O\n0.834983 0.165017 0.128602 O\n0.510549 0.489450 0.866215 O\n0.978900 0.489450 0.866215 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sc",
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sc-Zn",
"density": 5.872337595470454,
"density_atomic": 0.08737171100662826,
"volume": 297.57915577534663,
"volume_molar": 6.892552166619632,
"formula_full": "Sc2 Zn2 Mo6 O16",
"formula_reduced": "ScZnMo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.4362677961538464,
"spacegroup": 186
}
]
}