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=227",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=225",
"results": [
{
"id": "jvasp-71499",
"created_at": "2022-09-04T14:35:48.150161Z",
"updated_at": "2022-09-04T14:35:48.150173Z",
"structure_string": "K2 Be1 Ge1\n1.0\n3.507759 -0.000000 0.000000\n0.000000 3.507759 0.000000\n-0.000000 0.000000 9.957175\nK Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.919569 K\n0.500000 0.500000 0.324564 K\n0.000000 0.000000 0.605397 Be\n0.500000 0.500000 0.650470 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-K",
"density": 2.1665204546839525,
"density_atomic": 0.03264858444034877,
"volume": 122.51679723843088,
"volume_molar": 18.44533496085525,
"formula_full": "K2 Be1 Ge1",
"formula_reduced": "K2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2801470124999999,
"spacegroup": 99
},
{
"id": "jvasp-39364",
"created_at": "2022-09-04T14:35:48.152444Z",
"updated_at": "2022-09-04T14:35:48.152473Z",
"structure_string": "Ni3 Hg1\n1.0\n3.751610 -0.000000 -0.000000\n-0.000000 3.751610 -0.000000\n-0.000000 -0.000000 3.751610\nNi Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Hg"
],
"chemical_system": "Hg-Ni",
"density": 11.845606609198953,
"density_atomic": 0.07575423849599419,
"volume": 52.802326040298276,
"volume_molar": 7.949575996752242,
"formula_full": "Ni3 Hg1",
"formula_reduced": "Ni3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.79181415,
"spacegroup": 221
},
{
"id": "jvasp-69584",
"created_at": "2022-09-04T14:35:48.153649Z",
"updated_at": "2022-09-04T14:35:48.153666Z",
"structure_string": "Be2 In1 Cl1\n1.0\n-1.959097 1.959097 5.600220\n1.959097 -1.959097 5.600220\n1.959097 1.959097 -5.600220\nBe In Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 In\n0.250000 0.750001 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Cl"
],
"chemical_system": "Be-Cl-In",
"density": 3.250455999189215,
"density_atomic": 0.04652464120893668,
"volume": 85.97594513489038,
"volume_molar": 12.943981089408675,
"formula_full": "Be2 In1 Cl1",
"formula_reduced": "Be2InCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0041065593750005,
"spacegroup": 139
},
{
"id": "jvasp-69245",
"created_at": "2022-09-04T14:35:48.153708Z",
"updated_at": "2022-09-04T14:35:48.153739Z",
"structure_string": "Ba1 Ni1 Pd2\n1.0\n4.304057 0.000000 0.000000\n0.000000 4.304057 -0.000000\n0.000000 -0.000000 4.309579\nBa Ni Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pd"
],
"chemical_system": "Ba-Ni-Pd",
"density": 8.504196214646226,
"density_atomic": 0.05010362135629376,
"volume": 79.83454871565966,
"volume_molar": 12.019372246919492,
"formula_full": "Ba1 Ni1 Pd2",
"formula_reduced": "BaNiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0377099425,
"spacegroup": 123
},
{
"id": "jvasp-68474",
"created_at": "2022-09-04T14:35:48.158535Z",
"updated_at": "2022-09-04T14:35:48.158552Z",
"structure_string": "Be1 Fe1 Sb1\n1.0\n-1.629450 1.629450 3.854614\n1.629450 -1.629450 3.854614\n1.629450 1.629450 -3.854614\nBe Fe Sb\n1 1 1\ndirect\n0.990173 0.990173 0.000000 Be\n0.339947 0.339947 0.000000 Fe\n0.669877 0.669877 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Sb"
],
"chemical_system": "Be-Fe-Sb",
"density": 7.569684201744251,
"density_atomic": 0.07328216506999696,
"volume": 40.93765511887494,
"volume_molar": 8.21774405033998,
"formula_full": "Be1 Fe1 Sb1",
"formula_reduced": "BeFeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1150559,
"spacegroup": 107
},
{
"id": "jvasp-98496",
"created_at": "2022-09-04T14:35:48.159123Z",
"updated_at": "2022-09-04T14:35:48.159151Z",
"structure_string": "Li12 P28\n1.0\n7.610941 0.000000 0.000000\n0.000000 9.803212 0.000000\n0.000000 0.000000 10.466302\nLi P\n12 28\ndirect\n0.848290 0.307638 0.815695 Li\n0.095064 0.698199 0.193299 Li\n0.595064 0.801800 0.806701 Li\n0.904936 0.198199 0.306701 Li\n0.932808 0.973780 0.513196 Li\n0.432808 0.526220 0.486804 Li\n0.404936 0.301800 0.693299 Li\n0.567192 0.026220 0.013196 Li\n0.651710 0.692362 0.315695 Li\n0.151710 0.807638 0.684305 Li\n0.348290 0.192362 0.184305 Li\n0.067192 0.473780 0.986804 Li\n0.684225 0.426953 0.618456 P\n0.092145 0.863274 0.996162 P\n0.315775 0.926953 0.881544 P\n0.815775 0.573047 0.118456 P\n0.184225 0.073047 0.381544 P\n0.463005 0.427866 0.267882 P\n0.625596 0.280581 0.001998 P\n0.874404 0.719419 0.501998 P\n0.374404 0.780581 0.498002 P\n0.963005 0.072133 0.732118 P\n0.592145 0.636726 0.003838 P\n0.125596 0.219419 0.998002 P\n0.907854 0.363274 0.503838 P\n0.858395 0.950238 0.886956 P\n0.962640 0.055746 0.069312 P\n0.462640 0.444253 0.930688 P\n0.037360 0.555746 0.430688 P\n0.537360 0.944253 0.569312 P\n0.036995 0.572133 0.767882 P\n0.358395 0.549762 0.113043 P\n0.141605 0.450238 0.613043 P\n0.641605 0.049762 0.386957 P\n0.218059 0.126593 0.818433 P\n0.718059 0.373407 0.181567 P\n0.781941 0.626592 0.681567 P\n0.281941 0.873407 0.318433 P\n0.407855 0.136726 0.496162 P\n0.536995 0.927866 0.232118 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 2.021284303800132,
"density_atomic": 0.05122240663100636,
"volume": 780.9082515031005,
"volume_molar": 11.756848527992883,
"formula_full": "Li12 P28",
"formula_reduced": "Li3P7",
"formula_anonymous": "A3B7",
"energy_above_hull": 2.70289385,
"spacegroup": 19
},
{
"id": "jvasp-86142",
"created_at": "2022-09-04T14:35:48.159786Z",
"updated_at": "2022-09-04T14:35:48.159806Z",
"structure_string": "Yb4 Ge4 Ir4\n1.0\n4.356461 -0.000000 0.000000\n0.000000 7.111639 0.000000\n0.000000 0.000000 7.202290\nYb Ge Ir\n4 4 4\ndirect\n0.250000 0.005071 0.683742 Yb\n0.750000 0.494929 0.183742 Yb\n0.750000 0.994929 0.316258 Yb\n0.250000 0.505071 0.816258 Yb\n0.750000 0.301799 0.608401 Ge\n0.250000 0.198201 0.108401 Ge\n0.750000 0.801799 0.891599 Ge\n0.250000 0.698201 0.391599 Ge\n0.250000 0.343190 0.429006 Ir\n0.250000 0.843190 0.070994 Ir\n0.750000 0.156810 0.929006 Ir\n0.750000 0.656810 0.570994 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Yb",
"density": 13.034876507600705,
"density_atomic": 0.053778304814910236,
"volume": 223.13830905047337,
"volume_molar": 11.198085883752771,
"formula_full": "Yb4 Ge4 Ir4",
"formula_reduced": "YbGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0897825833333328,
"spacegroup": 62
},
{
"id": "jvasp-67962",
"created_at": "2022-09-04T14:35:48.159950Z",
"updated_at": "2022-09-04T14:35:48.159970Z",
"structure_string": "Be1 Ga1 W2\n1.0\n-1.904140 1.904140 3.910464\n1.904140 -1.904140 3.910464\n1.904140 1.904140 -3.910464\nBe Ga W\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 W\n0.250000 0.750000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"W"
],
"chemical_system": "Be-Ga-W",
"density": 13.070795424780345,
"density_atomic": 0.07053001160735001,
"volume": 56.7134459337471,
"volume_molar": 8.538408859941867,
"formula_full": "Be1 Ga1 W2",
"formula_reduced": "BeGaW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.35420210625,
"spacegroup": 119
},
{
"id": "jvasp-91694",
"created_at": "2022-09-04T14:35:48.160259Z",
"updated_at": "2022-09-04T14:35:48.160285Z",
"structure_string": "Na4 Tl4\n1.0\n-2.637287 -4.567526 0.000000\n-2.637287 4.567526 -0.000000\n0.000000 -0.000000 -10.144078\nNa Tl\n4 4\ndirect\n0.666676 0.333325 0.578141 Na\n0.333325 0.666676 0.421859 Na\n0.333325 0.666676 0.078141 Na\n0.666676 0.333325 0.921860 Na\n0.000001 -0.000001 0.750000 Tl\n-0.000001 0.000001 0.250000 Tl\n0.666671 0.333330 0.250000 Tl\n0.333330 0.666671 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 6.179696058269955,
"density_atomic": 0.032734747037214774,
"volume": 244.38863055532804,
"volume_molar": 18.396784166847777,
"formula_full": "Na4 Tl4",
"formula_reduced": "NaTl",
"formula_anonymous": "AB",
"energy_above_hull": 0.2158812499999999,
"spacegroup": 194
},
{
"id": "jvasp-66677",
"created_at": "2022-09-04T14:35:48.170796Z",
"updated_at": "2022-09-04T14:35:48.170824Z",
"structure_string": "Ba4 Ge1 Rh1\n1.0\n0.000000 4.770668 4.770668\n4.770668 0.000000 4.770668\n4.770668 4.770668 -0.000000\nBa Ge Rh\n4 1 1\ndirect\n0.124910 0.625031 0.625031 Ba\n0.625031 0.625031 0.625031 Ba\n0.625031 0.124910 0.625031 Ba\n0.625031 0.625031 0.124910 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Rh"
],
"chemical_system": "Ba-Ge-Rh",
"density": 5.542832559411315,
"density_atomic": 0.027630177320041627,
"volume": 217.15387239472702,
"volume_molar": 21.795519769002077,
"formula_full": "Ba4 Ge1 Rh1",
"formula_reduced": "Ba4GeRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6128838049999998,
"spacegroup": 216
},
{
"id": "jvasp-107762",
"created_at": "2022-09-04T14:35:48.176102Z",
"updated_at": "2022-09-04T14:35:48.176127Z",
"structure_string": "Fe2 Co2 B2\n1.0\n4.012135 0.007069 3.011825\n2.403509 3.217162 1.070141\n-0.003707 0.007397 4.081966\nFe Co B\n2 2 2\ndirect\n0.834096 0.165905 0.834096 Fe\n0.165904 0.834096 0.165903 Fe\n0.665172 0.665172 0.334827 Co\n0.334828 0.334829 0.665172 Co\n0.250000 0.250000 0.250000 B\n0.750000 0.750001 0.749999 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Co",
"B"
],
"chemical_system": "B-Co-Fe",
"density": 7.917895604896128,
"density_atomic": 0.11390155468107256,
"volume": 52.67706851587902,
"volume_molar": 5.287145357113129,
"formula_full": "Fe2 Co2 B2",
"formula_reduced": "FeCoB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.225962994444445,
"spacegroup": 69
},
{
"id": "jvasp-28962",
"created_at": "2022-09-04T14:35:48.176358Z",
"updated_at": "2022-09-04T14:35:48.176368Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.352227 0.000000 0.000000\n-1.676114 2.903123 -0.000022\n0.000000 -0.000285 37.902076\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333355 0.666711 0.707793 Te\n0.333353 0.666705 0.607177 Te\n0.333314 0.666626 0.469600 Mo\n0.666692 0.333381 0.281758 Mo\n0.333309 0.666616 0.093940 W\n0.666687 0.333373 0.657585 W\n0.333357 0.666714 0.325820 Se\n0.666645 0.333289 0.425619 Se\n0.666647 0.333291 0.513612 Se\n0.333354 0.666707 0.237789 Se\n0.666644 0.333285 0.053848 S\n0.666646 0.333289 0.134206 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.378448472268959,
"density_atomic": 0.032532646320025956,
"volume": 368.86024831657244,
"volume_molar": 18.511069467757935,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.531530066666667,
"spacegroup": 156
}
]
}