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=nsites&page=3459",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3457",
"results": [
{
"id": "jvasp-119114",
"created_at": "2022-09-04T14:38:51.069302Z",
"updated_at": "2022-09-04T14:38:51.069329Z",
"structure_string": "Ba2 Y1 Cu2 Hg1 O7\n1.0\n3.862894 0.000000 0.000000\n0.000000 3.862894 0.000000\n-0.000000 -0.000000 12.615968\nBa Y Cu Hg O\n2 1 2 1 7\ndirect\n0.499999 0.499999 0.204000 Ba\n0.499999 0.499999 0.796001 Ba\n0.499999 0.499999 0.500000 Y\n0.000000 0.000000 0.367224 Cu\n0.000000 0.000000 0.632776 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.168800 O\n0.000000 0.000000 0.831200 O\n-0.000000 0.499999 0.387333 O\n-0.000000 0.499999 0.612667 O\n0.499999 0.000000 0.387333 O\n0.499999 0.000000 0.612667 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Hg",
"O"
],
"chemical_system": "Ba-Cu-Hg-O-Y",
"density": 7.085116464754626,
"density_atomic": 0.06905532785525954,
"volume": 188.2548443944556,
"volume_molar": 8.720747474579296,
"formula_full": "Ba2 Y1 Cu2 Hg1 O7",
"formula_reduced": "Ba2YCu2HgO7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.4346521069230769,
"spacegroup": 123
},
{
"id": "jvasp-121966",
"created_at": "2022-09-04T14:38:54.130825Z",
"updated_at": "2022-09-04T14:38:54.130862Z",
"structure_string": "Li6 P1 Br1 O5\n1.0\n5.082062 -0.000000 2.934130\n1.694021 4.791414 2.934130\n-0.000000 -0.000000 5.868260\nLi P Br O\n6 1 1 5\ndirect\n0.983193 0.516807 0.983193 Li\n0.516807 0.983192 0.983193 Li\n0.516807 0.516807 0.983193 Li\n0.516807 0.983192 0.516808 Li\n0.983193 0.983192 0.516808 Li\n0.983193 0.516807 0.516808 Li\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Br\n0.824854 0.391715 0.391716 O\n0.391716 0.824854 0.391716 O\n0.391715 0.391715 0.391716 O\n0.391715 0.391715 0.824855 O\n0.750000 0.749999 0.750000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"P",
"Br",
"O"
],
"chemical_system": "Br-Li-O-P",
"density": 2.702077685370474,
"density_atomic": 0.09097673532823339,
"volume": 142.89367444432386,
"volume_molar": 6.619429393979486,
"formula_full": "Li6 P1 Br1 O5",
"formula_reduced": "Li6PBrO5",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.626072085,
"spacegroup": 216
},
{
"id": "jvasp-119645",
"created_at": "2022-09-04T14:38:50.324901Z",
"updated_at": "2022-09-04T14:38:50.324912Z",
"structure_string": "Ta1 Nb1 Cu3 O8\n1.0\n5.224224 0.001239 0.672442\n2.020361 4.866462 1.553497\n-0.005859 0.019609 6.029318\nTa Nb Cu O\n1 1 3 8\ndirect\n0.776717 0.464717 0.349240 Ta\n0.220623 0.537687 0.653130 Nb\n0.999973 0.001052 0.001204 Cu\n0.544909 0.925802 0.760043 Cu\n0.455655 0.075603 0.238354 Cu\n0.763148 0.800485 0.098408 O\n0.240728 0.197148 0.904105 O\n0.737890 0.255363 0.165317 O\n0.261699 0.748845 0.834718 O\n0.827491 0.683082 0.596021 O\n0.168286 0.313096 0.401090 O\n0.637359 0.262307 0.633668 O\n0.365514 0.734815 0.364703 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ta",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Nb-O-Ta",
"density": 6.423755133574256,
"density_atomic": 0.08487974568471547,
"volume": 153.15785756814475,
"volume_molar": 7.094909052118454,
"formula_full": "Ta1 Nb1 Cu3 O8",
"formula_reduced": "TaNbCu3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.71644215,
"spacegroup": 1
},
{
"id": "jvasp-119370",
"created_at": "2022-09-04T14:38:50.849778Z",
"updated_at": "2022-09-04T14:38:50.849795Z",
"structure_string": "Li6 Fe1 O5 F1\n1.0\n4.851018 0.072286 2.462453\n1.641138 4.595434 2.560919\n0.062437 0.023195 5.507949\nLi Fe O F\n6 1 5 1\ndirect\n0.697950 0.468582 0.057573 Li\n0.510341 0.084408 0.747200 Li\n0.915229 0.306630 0.509301 Li\n0.076841 0.707923 0.473258 Li\n0.516932 0.916965 0.268979 Li\n0.261191 0.487367 0.926265 Li\n0.034169 0.987248 0.961490 Fe\n0.356705 0.807757 0.089567 O\n0.920421 0.666598 0.209074 O\n0.208105 0.888689 0.646965 O\n0.102192 0.340355 0.789372 O\n0.657216 0.210940 0.917975 O\n0.777713 0.126905 0.385410 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6910624318006096,
"density_atomic": 0.1072224003793413,
"volume": 121.24332186191879,
"volume_molar": 5.616495003557386,
"formula_full": "Li6 Fe1 O5 F1",
"formula_reduced": "Li6FeO5F",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.6835448678846154,
"spacegroup": 1
},
{
"id": "jvasp-101945",
"created_at": "2022-09-04T14:36:43.150419Z",
"updated_at": "2022-09-04T14:36:43.150439Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.657038 -0.078462 -0.106265\n-1.124614 4.400027 -0.270047\n0.061925 -0.053981 7.531503\nCd H C O\n1 4 4 4\ndirect\n0.362299 0.764708 0.266674 Cd\n0.588179 0.975275 0.668755 H\n0.046379 0.997546 0.747351 H\n0.678120 0.531869 0.785988 H\n0.136319 0.554133 0.864587 H\n0.031151 0.245251 0.522165 C\n0.868290 0.137405 0.696759 C\n0.856203 0.392004 0.836585 C\n0.693337 0.284179 0.011181 C\n0.960856 0.050487 0.384873 O\n0.239739 0.515452 0.518679 O\n0.484662 0.014008 0.014669 O\n0.763711 0.478940 0.148476 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.1486996658427278,
"density_atomic": 0.10788754141350947,
"volume": 120.49584066591923,
"volume_molar": 5.5818685652669044,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9290241346153856,
"spacegroup": 2
},
{
"id": "jvasp-13093",
"created_at": "2022-09-04T14:37:02.287180Z",
"updated_at": "2022-09-04T14:37:02.287198Z",
"structure_string": "Mg5 H2 O6\n1.0\n1.514278 -2.622806 0.000000\n1.514278 2.622806 -0.000000\n-0.000000 -0.000000 14.712891\nMg H O\n5 2 6\ndirect\n0.666668 0.333334 0.668569 Mg\n0.333334 0.666668 0.331431 Mg\n0.333334 0.666668 0.834604 Mg\n0.666668 0.333334 0.165396 Mg\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666668 0.529750 H\n0.666668 0.333334 0.470250 H\n0.333334 0.666668 0.082705 O\n0.666668 0.333334 0.917295 O\n0.000000 0.000000 0.248229 O\n0.666668 0.333334 0.404289 O\n0.333334 0.666668 0.595711 O\n0.000000 0.000000 0.751771 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 3.119303137871891,
"density_atomic": 0.11123553752977912,
"volume": 116.86912553930654,
"volume_molar": 5.4138640345831925,
"formula_full": "Mg5 H2 O6",
"formula_reduced": "Mg5(HO3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.2548150961538458,
"spacegroup": 164
},
{
"id": "jvasp-10908",
"created_at": "2022-09-04T14:37:02.709612Z",
"updated_at": "2022-09-04T14:37:02.709628Z",
"structure_string": "Ca1 Ti2 F10\n1.0\n5.165160 -0.025726 1.970249\n1.079438 5.051174 1.970249\n0.050313 0.040489 7.766899\nCa Ti F\n1 2 10\ndirect\n0.456690 0.543309 0.750000 Ca\n0.982678 0.985466 0.011650 Ti\n0.014532 0.017323 0.488351 Ti\n0.171445 0.269058 0.885532 F\n0.730942 0.828554 0.614469 F\n0.798002 0.726158 0.136725 F\n0.273840 0.201998 0.363275 F\n0.066511 0.933489 0.750000 F\n0.949975 0.050025 0.250000 F\n0.255901 0.695425 0.498439 F\n0.304575 0.744098 0.001561 F\n0.767572 0.313435 0.546774 F\n0.686564 0.232427 0.953226 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"F"
],
"chemical_system": "Ca-F-Ti",
"density": 2.6778608098820107,
"density_atomic": 0.06434820900421842,
"volume": 202.02582482362126,
"volume_molar": 9.358676571099611,
"formula_full": "Ca1 Ti2 F10",
"formula_reduced": "CaTi2F10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.3302145741025642,
"spacegroup": 5
},
{
"id": "jvasp-101903",
"created_at": "2022-09-04T14:36:42.267238Z",
"updated_at": "2022-09-04T14:36:42.267266Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.454606 -0.070306 -0.467428\n-1.372677 4.253262 0.573060\n-0.258148 0.046116 7.590546\nZn H C O\n1 4 4 4\ndirect\n0.611696 0.160263 0.268297 Zn\n0.509651 0.864682 0.689630 H\n0.105605 -0.000945 0.694459 H\n0.118470 0.321381 0.842178 H\n0.714363 0.455696 0.846970 H\n0.987041 0.665702 0.506188 C\n0.175638 0.781295 0.688940 C\n0.048379 0.539125 0.847677 C\n0.236866 0.654742 0.030429 C\n0.026075 0.871983 0.369000 O\n0.800290 0.371572 0.497171 O\n0.197714 0.448473 0.167628 O\n0.423598 0.948874 0.039443 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.733803562574972,
"density_atomic": 0.11793155185153614,
"volume": 110.2334345295963,
"volume_molar": 5.106471224580564,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957131107692308,
"spacegroup": 2
},
{
"id": "jvasp-12568",
"created_at": "2022-09-04T14:36:48.349694Z",
"updated_at": "2022-09-04T14:36:48.349714Z",
"structure_string": "Sm1 H3 C3 O6\n1.0\n5.632428 -0.001978 -2.688223\n-4.261174 3.683293 -2.688223\n-0.000737 -0.001978 6.241057\nSm H C O\n1 3 3 6\ndirect\n0.836498 0.836497 0.836499 Sm\n0.987569 0.471528 0.471529 H\n0.471528 0.471528 0.987570 H\n0.471528 0.987569 0.471529 H\n0.228316 0.688903 0.228316 C\n0.688903 0.228316 0.228316 C\n0.228316 0.228316 0.688904 C\n0.501129 0.247533 0.247534 O\n0.951926 0.554052 0.951927 O\n0.951926 0.951925 0.554054 O\n0.247533 0.501129 0.247534 O\n0.247533 0.247533 0.501129 O\n0.554053 0.951925 0.951927 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Sm",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sm",
"density": 3.6636105775430092,
"density_atomic": 0.10049185043601944,
"volume": 129.36372395965347,
"volume_molar": 5.992665807098598,
"formula_full": "Sm1 H3 C3 O6",
"formula_reduced": "SmH3(CO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 3.8338646057692314,
"spacegroup": 160
},
{
"id": "jvasp-50066",
"created_at": "2022-09-04T14:36:56.611856Z",
"updated_at": "2022-09-04T14:36:56.611864Z",
"structure_string": "Y4 Cu2 O7\n1.0\n8.332462 0.000000 0.048136\n-2.048184 1.832040 5.687697\n-2.048184 -1.832040 5.687697\nY Cu O\n4 2 7\ndirect\n0.162779 0.357542 0.357542 Y\n0.321132 0.662835 0.662835 Y\n0.678869 0.337166 0.337166 Y\n0.837222 0.642459 0.642459 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.120491 0.749013 0.749013 O\n0.000001 0.500000 0.500000 O\n0.711749 0.986102 0.986102 O\n0.387293 0.280408 0.280408 O\n0.612708 0.719593 0.719593 O\n0.288252 0.013899 0.013899 O\n0.879510 0.250988 0.250988 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 5.6751578118109265,
"density_atomic": 0.07470782279983057,
"volume": 174.01122817929962,
"volume_molar": 8.060923922432469,
"formula_full": "Y4 Cu2 O7",
"formula_reduced": "Y4Cu2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.383520553846154,
"spacegroup": 12
},
{
"id": "jvasp-104158",
"created_at": "2022-09-04T14:36:55.088120Z",
"updated_at": "2022-09-04T14:36:55.088147Z",
"structure_string": "H4 C6 S1 O2\n1.0\n4.008405 -0.029810 -0.243132\n-1.550602 5.136508 -1.525531\n-0.111996 0.058632 6.566908\nH C S O\n4 6 1 2\ndirect\n0.927528 0.229085 0.774809 H\n0.728287 0.899229 0.483095 H\n0.389319 0.864930 0.109430 H\n0.573207 0.253490 0.907506 H\n0.333340 0.711391 0.186098 C\n0.514812 0.732656 0.389296 C\n0.075775 0.479383 0.096359 C\n0.389939 0.510699 0.447487 C\n0.831060 0.369513 0.888284 C\n0.774010 0.558664 0.771429 C\n0.056220 0.277199 0.258776 S\n0.480418 0.426438 0.617777 O\n0.950583 0.780276 0.793115 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7222254364453993,
"density_atomic": 0.09619686280144905,
"volume": 135.13954219933433,
"volume_molar": 6.260225733587319,
"formula_full": "H4 C6 S1 O2",
"formula_reduced": "H4C6SO2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 5.013642846153847,
"spacegroup": 1
},
{
"id": "jvasp-13029",
"created_at": "2022-09-04T14:36:48.238630Z",
"updated_at": "2022-09-04T14:36:48.238654Z",
"structure_string": "Na2 Ti3 Cl8\n1.0\n6.463101 0.078462 4.412135\n2.371381 6.012851 4.412135\n0.113796 0.078462 7.824684\nNa Ti Cl\n2 3 8\ndirect\n0.162202 0.162202 0.162201 Na\n0.837799 0.837798 0.837797 Na\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.500000 0.499999 Ti\n0.500000 -0.000000 0.499999 Ti\n0.407287 0.407286 0.407286 Cl\n0.592714 0.592713 0.592713 Cl\n0.097071 0.584427 0.097070 Cl\n0.097071 0.097071 0.584427 Cl\n0.584427 0.097071 0.097070 Cl\n0.415573 0.902929 0.902928 Cl\n0.902930 0.415572 0.902928 Cl\n0.902929 0.902929 0.415572 Cl\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Cl"
],
"chemical_system": "Cl-Na-Ti",
"density": 2.634809054473085,
"density_atomic": 0.04359076599769378,
"volume": 298.22829910095595,
"volume_molar": 13.815175352317988,
"formula_full": "Na2 Ti3 Cl8",
"formula_reduced": "Na2Ti3Cl8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 0.9046004261538464,
"spacegroup": 166
}
]
}