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=4165",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4163",
"results": [
{
"id": "jvasp-66797",
"created_at": "2022-09-04T14:35:56.599053Z",
"updated_at": "2022-09-04T14:35:56.599069Z",
"structure_string": "Mg1 Be1 Zn1\n1.0\n-1.468034 1.468034 5.033119\n1.468034 -1.468034 5.033119\n1.468034 1.468034 -5.033119\nMg Be Zn\n1 1 1\ndirect\n0.341106 0.341106 0.000000 Mg\n0.018526 0.018526 0.000000 Be\n0.640369 0.640369 0.000000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Zn"
],
"chemical_system": "Be-Mg-Zn",
"density": 3.778435572903325,
"density_atomic": 0.06914357595782987,
"volume": 43.38797868698137,
"volume_molar": 8.709617164829394,
"formula_full": "Mg1 Be1 Zn1",
"formula_reduced": "MgBeZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2182825250000001,
"spacegroup": 107
},
{
"id": "jvasp-62432",
"created_at": "2022-09-04T14:35:56.590264Z",
"updated_at": "2022-09-04T14:35:56.590283Z",
"structure_string": "U3 Al3 Ir3\n1.0\n3.458080 -5.989568 0.000000\n3.458080 5.989568 0.000000\n0.000000 0.000000 4.117404\nU Al Ir\n3 3 3\ndirect\n0.577602 0.000002 0.500000 U\n0.000002 0.577602 0.500000 U\n0.422399 0.422399 0.500000 U\n0.236062 0.000001 0.000000 Al\n0.000001 0.236062 0.000000 Al\n0.763935 0.763935 0.000000 Al\n0.333334 0.666669 0.000000 Ir\n0.666669 0.333334 0.000000 Ir\n0.999996 0.999996 0.500000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-U",
"density": 13.354223266159462,
"density_atomic": 0.05276652518783471,
"volume": 170.562680941419,
"volume_molar": 11.412805255913273,
"formula_full": "U3 Al3 Ir3",
"formula_reduced": "UAlIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.396819966666666,
"spacegroup": 189
},
{
"id": "jvasp-75707",
"created_at": "2022-09-04T14:35:56.587696Z",
"updated_at": "2022-09-04T14:35:56.587726Z",
"structure_string": "Fe2 As1 Se1\n1.0\n0.000000 3.152462 3.152462\n3.152462 0.000000 3.152462\n3.152462 3.152462 0.000000\nFe As Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"As",
"Se"
],
"chemical_system": "As-Fe-Se",
"density": 7.038030606261272,
"density_atomic": 0.06383816793473479,
"volume": 62.65843976113814,
"volume_molar": 9.433448601088866,
"formula_full": "Fe2 As1 Se1",
"formula_reduced": "Fe2AsSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7916615291666664,
"spacegroup": 216
},
{
"id": "jvasp-75524",
"created_at": "2022-09-04T14:35:56.587235Z",
"updated_at": "2022-09-04T14:35:56.587260Z",
"structure_string": "Mn1 As1 Ir2\n1.0\n0.000000 3.105450 3.105450\n3.105450 0.000000 3.105450\n3.105450 3.105450 -0.000000\nMn As Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"As",
"Ir"
],
"chemical_system": "As-Ir-Mn",
"density": 14.25793518547085,
"density_atomic": 0.06678153113366563,
"volume": 59.896799790257234,
"volume_molar": 9.01767398526169,
"formula_full": "Mn1 As1 Ir2",
"formula_reduced": "MnAsIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.022617797844828,
"spacegroup": 216
},
{
"id": "jvasp-91533",
"created_at": "2022-09-04T14:35:56.584470Z",
"updated_at": "2022-09-04T14:35:56.584492Z",
"structure_string": "Ca2 Ni2 B2 N2\n1.0\n3.532599 0.000000 0.000000\n0.000000 3.532599 -0.000000\n0.000000 -0.000000 7.603102\nCa Ni B N\n2 2 2 2\ndirect\n0.000000 0.500000 0.341660 Ca\n0.500000 0.000000 0.658340 Ca\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.844800 B\n0.500000 0.000000 0.155200 B\n0.000000 0.500000 0.662636 N\n0.500000 0.000000 0.337364 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"B",
"N"
],
"chemical_system": "B-Ca-N-Ni",
"density": 4.3259327389800415,
"density_atomic": 0.08431609545318462,
"volume": 94.88105393165286,
"volume_molar": 7.142338277919562,
"formula_full": "Ca2 Ni2 B2 N2",
"formula_reduced": "CaNiBN",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.2992971633333337,
"spacegroup": 129
},
{
"id": "jvasp-70143",
"created_at": "2022-09-04T14:35:56.581493Z",
"updated_at": "2022-09-04T14:35:56.581518Z",
"structure_string": "Li1 Be2 Ni1\n1.0\n-1.636812 1.636812 3.506679\n1.636812 -1.636812 3.506679\n1.636812 1.636812 -3.506679\nLi Be Ni\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ni"
],
"chemical_system": "Be-Li-Ni",
"density": 3.6966381125934826,
"density_atomic": 0.10644037275287424,
"volume": 37.57972559234566,
"volume_molar": 5.657759930981999,
"formula_full": "Li1 Be2 Ni1",
"formula_reduced": "LiBe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3365911499999998,
"spacegroup": 119
},
{
"id": "jvasp-97633",
"created_at": "2022-09-04T14:35:56.581163Z",
"updated_at": "2022-09-04T14:35:56.581187Z",
"structure_string": "Nd8 Ge6 S24\n1.0\n10.453003 -0.005702 -4.830749\n-7.552491 7.226699 -4.830749\n-0.002290 -0.005702 11.515269\nNd Ge S\n8 6 24\ndirect\n0.475841 0.937585 0.713763 Nd\n0.975840 0.213763 0.437585 Nd\n0.998557 0.998558 0.998557 Nd\n0.213763 0.437585 0.975841 Nd\n0.713763 0.475841 0.937585 Nd\n0.937585 0.713763 0.475841 Nd\n0.437585 0.975841 0.213763 Nd\n0.498557 0.498557 0.498557 Nd\n0.143775 0.969084 0.355542 Ge\n0.855542 0.469085 0.643775 Ge\n0.969084 0.355542 0.143775 Ge\n0.643775 0.855542 0.469084 Ge\n0.469084 0.643775 0.855542 Ge\n0.355542 0.143775 0.969085 Ge\n0.685856 0.872548 0.688857 S\n0.814722 0.282311 0.884351 S\n0.782310 0.314722 0.384350 S\n0.384350 0.782310 0.314722 S\n0.314722 0.384351 0.782310 S\n0.585209 0.609676 0.295640 S\n0.688857 0.685856 0.872548 S\n0.795639 0.109676 0.085209 S\n0.185855 0.188857 0.372548 S\n0.295640 0.585209 0.609676 S\n0.633796 0.351197 0.086645 S\n0.586645 0.851197 0.133796 S\n0.085209 0.795640 0.109676 S\n0.282311 0.884351 0.814722 S\n0.351197 0.086645 0.633796 S\n0.133796 0.586645 0.851197 S\n0.109676 0.085209 0.795640 S\n0.188856 0.372548 0.185855 S\n0.884350 0.814722 0.282310 S\n0.872548 0.688857 0.685856 S\n0.086645 0.633796 0.351197 S\n0.609676 0.295640 0.585209 S\n0.851197 0.133797 0.586645 S\n0.372548 0.185856 0.188856 S\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"S"
],
"chemical_system": "Ge-Nd-S",
"density": 4.509404928992598,
"density_atomic": 0.043738505535176116,
"volume": 868.799688856287,
"volume_molar": 13.768510575096746,
"formula_full": "Nd8 Ge6 S24",
"formula_reduced": "Nd4(GeS4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.029797044736842,
"spacegroup": 161
},
{
"id": "jvasp-69214",
"created_at": "2022-09-04T14:35:56.580510Z",
"updated_at": "2022-09-04T14:35:56.580525Z",
"structure_string": "K1 Ba1 Mg2\n1.0\n4.294395 0.000000 -0.000000\n-0.000000 4.294395 0.000000\n-0.000000 0.000000 9.011121\nK Ba Mg\n1 1 2\ndirect\n0.499999 0.499999 0.500000 K\n0.499999 0.499999 0.000000 Ba\n0.000000 0.000000 0.762566 Mg\n0.000000 0.000000 0.237434 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mg"
],
"chemical_system": "Ba-K-Mg",
"density": 2.2486245497455823,
"density_atomic": 0.024070061114214853,
"volume": 166.18154731803958,
"volume_molar": 25.01921674159587,
"formula_full": "K1 Ba1 Mg2",
"formula_reduced": "KBaMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0438553154545454,
"spacegroup": 123
},
{
"id": "jvasp-14814",
"created_at": "2022-09-04T14:35:56.580216Z",
"updated_at": "2022-09-04T14:35:56.580252Z",
"structure_string": "Yb1\n1.0\n3.422092 -0.000000 -1.209892\n-1.711046 2.963619 -1.209892\n-0.000000 -0.000000 3.629677\nYb\n1\ndirect\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.805730863283505,
"density_atomic": 0.02716551664910672,
"volume": 36.81137424761192,
"volume_molar": 22.16832772881581,
"formula_full": "Yb1",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy_above_hull": 0.0036407,
"spacegroup": 229
},
{
"id": "jvasp-67862",
"created_at": "2022-09-04T14:35:56.576340Z",
"updated_at": "2022-09-04T14:35:56.576365Z",
"structure_string": "La1 Be1 Rh2\n1.0\n3.347290 0.000000 0.000000\n0.000000 3.347290 -0.000000\n0.000000 0.000000 6.233495\nLa Be Rh\n1 1 2\ndirect\n0.500000 0.500000 0.767266 La\n0.000000 0.000000 0.384460 Be\n0.000000 0.000000 0.024700 Rh\n0.500000 0.500000 0.323572 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Be",
"Rh"
],
"chemical_system": "Be-La-Rh",
"density": 8.410097698417124,
"density_atomic": 0.0572719137976105,
"volume": 69.84226184819562,
"volume_molar": 10.514998296165295,
"formula_full": "La1 Be1 Rh2",
"formula_reduced": "LaBeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.313914275,
"spacegroup": 99
},
{
"id": "jvasp-87334",
"created_at": "2022-09-04T14:35:56.575721Z",
"updated_at": "2022-09-04T14:35:56.575738Z",
"structure_string": "Fe24 O32\n1.0\n8.144257 -0.000000 0.000000\n0.000000 8.144257 0.000000\n0.000000 0.000000 8.144257\nFe O\n24 32\ndirect\n0.500000 0.500000 0.500000 Fe\n0.375000 0.375000 0.875000 Fe\n0.625000 0.625000 0.125000 Fe\n0.875000 0.375000 0.375000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.875000 0.875000 0.875000 Fe\n0.125000 0.125000 0.125000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.750000 0.750000 Fe\n0.500000 0.250000 0.250000 Fe\n0.000000 0.500000 0.000000 Fe\n0.375000 0.875000 0.375000 Fe\n0.750000 0.500000 0.750000 Fe\n0.250000 0.500000 0.250000 Fe\n0.250000 0.750000 0.000000 Fe\n0.750000 0.250000 0.000000 Fe\n0.250000 0.000000 0.750000 Fe\n0.750000 0.000000 0.250000 Fe\n0.000000 0.750000 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.250000 0.250000 0.500000 Fe\n0.750000 0.750000 0.500000 Fe\n0.000000 0.250000 0.750000 Fe\n0.511545 0.511545 0.738455 O\n0.988455 0.988455 0.261545 O\n0.988455 0.261545 0.988455 O\n0.011545 0.738455 0.011545 O\n0.011545 0.011545 0.738455 O\n0.511545 0.738455 0.511545 O\n0.738455 0.011545 0.011545 O\n0.761545 0.261545 0.761545 O\n0.238455 0.738455 0.238455 O\n0.261545 0.488455 0.488455 O\n0.738455 0.511545 0.511545 O\n0.261545 0.988455 0.988455 O\n0.488455 0.488455 0.261545 O\n0.488455 0.261545 0.488455 O\n0.738455 0.238455 0.238455 O\n0.511545 0.011545 0.238455 O\n0.761545 0.988455 0.488455 O\n0.238455 0.011545 0.511545 O\n0.488455 0.761545 0.988455 O\n0.511545 0.238455 0.011545 O\n0.988455 0.488455 0.761545 O\n0.011545 0.511545 0.238455 O\n0.238455 0.511545 0.011545 O\n0.761545 0.488455 0.988455 O\n0.011545 0.238455 0.511545 O\n0.988455 0.761545 0.488455 O\n0.761545 0.761545 0.261545 O\n0.488455 0.988455 0.761545 O\n0.738455 0.738455 0.738455 O\n0.261545 0.261545 0.261545 O\n0.261545 0.761545 0.761545 O\n0.238455 0.238455 0.738455 O\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.693729409807244,
"density_atomic": 0.10366534983385584,
"volume": 540.199787969182,
"volume_molar": 5.809212788701015,
"formula_full": "Fe24 O32",
"formula_reduced": "Fe3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.0581586428571423,
"spacegroup": 227
},
{
"id": "jvasp-98601",
"created_at": "2022-09-04T14:35:56.574714Z",
"updated_at": "2022-09-04T14:35:56.574726Z",
"structure_string": "Zr16 Fe8 H8 O4\n1.0\n6.170092 6.170092 0.000000\n-0.000000 6.170092 6.170092\n6.170092 -0.000000 6.170092\nZr Fe H O\n16 8 8 4\ndirect\n0.682683 0.067317 0.067317 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.317317 0.932682 0.317317 Zr\n0.932682 0.317317 0.932682 Zr\n0.932682 0.932682 0.317317 Zr\n0.317317 0.317317 0.932682 Zr\n0.317317 0.932682 0.932682 Zr\n0.682683 0.067317 0.682683 Zr\n0.067317 0.682683 0.067317 Zr\n0.682683 0.682683 0.067317 Zr\n0.067317 0.067317 0.682683 Zr\n0.067317 0.682683 0.682683 Zr\n0.932682 0.317317 0.317317 Zr\n0.298157 0.298157 0.605528 Fe\n0.298157 0.298157 0.298157 Fe\n0.605528 0.298157 0.298157 Fe\n0.298157 0.605528 0.298157 Fe\n0.701843 0.701843 0.394471 Fe\n0.394471 0.701843 0.701843 Fe\n0.701843 0.394471 0.701843 Fe\n0.701843 0.701843 0.701843 Fe\n0.782069 0.153793 0.782069 H\n0.782069 0.782069 0.153793 H\n0.153793 0.782069 0.782069 H\n0.782069 0.782069 0.782069 H\n0.217931 0.846207 0.217931 H\n0.217931 0.217931 0.846207 H\n0.846207 0.217931 0.217931 H\n0.217931 0.217931 0.217931 H\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Zr",
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O-Zr",
"density": 6.9929336888038485,
"density_atomic": 0.07662978129067594,
"volume": 469.7912403461389,
"volume_molar": 7.858747158831779,
"formula_full": "Zr16 Fe8 H8 O4",
"formula_reduced": "Zr4Fe2H2O",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.0684425,
"spacegroup": 227
}
]
}