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=created_at&page=3464",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3462",
"results": [
{
"id": "jvasp-12585",
"created_at": "2022-09-04T14:38:09.632134Z",
"updated_at": "2022-09-04T14:38:09.632160Z",
"structure_string": "Zr1 P2 H2 O6\n1.0\n2.751580 -4.765877 0.000000\n2.751580 4.765877 -0.000000\n-0.000000 -0.000000 5.333934\nZr P H O\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.307288 P\n0.666667 0.333333 0.692711 P\n0.333333 0.666667 0.570402 H\n0.666667 0.333333 0.429597 H\n0.179689 0.820311 0.222638 O\n0.359379 0.179689 0.777362 O\n0.820311 0.640621 0.777362 O\n0.820311 0.179689 0.777362 O\n0.640621 0.820311 0.222638 O\n0.179689 0.359379 0.222638 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Zr",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Zr",
"density": 2.981522723609385,
"density_atomic": 0.07863032633907847,
"volume": 139.89513349549856,
"volume_molar": 7.658801686808029,
"formula_full": "Zr1 P2 H2 O6",
"formula_reduced": "ZrP2(HO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.083074227272727,
"spacegroup": 164
},
{
"id": "jvasp-37533",
"created_at": "2022-09-04T14:38:09.632583Z",
"updated_at": "2022-09-04T14:38:09.632606Z",
"structure_string": "Y1 Ho3\n1.0\n4.945731 0.000000 -0.000000\n0.000000 4.945731 -0.000000\n0.000000 0.000000 4.945731\nY Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Ho"
],
"chemical_system": "Ho-Y",
"density": 8.012073847854388,
"density_atomic": 0.03306499928136874,
"volume": 120.97384203646106,
"volume_molar": 18.21303762553934,
"formula_full": "Y1 Ho3",
"formula_reduced": "YHo3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7801405375,
"spacegroup": 221
},
{
"id": "jvasp-46422",
"created_at": "2022-09-04T14:38:09.635068Z",
"updated_at": "2022-09-04T14:38:09.635086Z",
"structure_string": "Sc2 Fe2 O6\n1.0\n1.646924 -2.852556 -0.000000\n1.646924 2.852556 0.000000\n-0.000000 -0.000000 11.559260\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.250008 Sc\n0.000000 0.000000 0.749992 Sc\n0.333332 0.666666 0.000000 Fe\n0.666666 0.333332 0.500000 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.333332 0.666666 0.834795 O\n0.333332 0.666666 0.165205 O\n0.666666 0.333332 0.665202 O\n0.666666 0.333332 0.334798 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sc",
"density": 4.550002833745089,
"density_atomic": 0.09207298741366454,
"volume": 108.60948776509342,
"volume_molar": 6.5406162319289045,
"formula_full": "Sc2 Fe2 O6",
"formula_reduced": "ScFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.31590225,
"spacegroup": 194
},
{
"id": "jvasp-10786",
"created_at": "2022-09-04T14:38:09.640652Z",
"updated_at": "2022-09-04T14:38:09.640678Z",
"structure_string": "Zr4 S2 N4\n1.0\n1.814864 -3.143436 0.000000\n1.814864 3.143436 -0.000000\n-0.000000 -0.000000 12.891935\nZr S N\n4 2 4\ndirect\n0.333332 0.666666 0.602650 Zr\n0.666666 0.333332 0.102650 Zr\n0.666666 0.333332 0.397349 Zr\n0.333332 0.666666 0.897349 Zr\n0.000000 0.000000 0.250000 S\n0.000000 0.000000 0.750000 S\n0.666666 0.333332 0.568071 N\n0.333332 0.666666 0.068071 N\n0.333332 0.666666 0.431929 N\n0.666666 0.333332 0.931929 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"S",
"N"
],
"chemical_system": "N-S-Zr",
"density": 5.475720876651815,
"density_atomic": 0.06798344817938064,
"volume": 147.09462770429167,
"volume_molar": 8.8582455307504,
"formula_full": "Zr4 S2 N4",
"formula_reduced": "Zr2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0541651,
"spacegroup": 194
},
{
"id": "jvasp-46471",
"created_at": "2022-09-04T14:38:09.640919Z",
"updated_at": "2022-09-04T14:38:09.640943Z",
"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n1.462785 0.844538 4.745281\n5.838006 0.000369 0.003953\n-2.918684 5.055300 0.000001\nLi Cr Ni O\n4 3 1 8\ndirect\n0.998599 0.004721 0.502361 Li\n0.001400 0.995281 0.997639 Li\n-0.000000 0.500001 0.508016 Li\n-0.000001 0.500001 0.991984 Li\n0.500000 0.000000 0.750000 Cr\n0.500000 -0.000000 0.250000 Cr\n0.500000 0.500000 0.250000 Cr\n0.499999 0.500001 0.750000 Ni\n0.270439 0.230270 0.615135 O\n0.726683 0.250883 0.885540 O\n0.273808 0.242286 0.121143 O\n0.726682 0.250884 0.365344 O\n0.273316 0.749118 0.614461 O\n0.729560 0.769732 0.884866 O\n0.273317 0.749117 0.134656 O\n0.726191 0.757715 0.378857 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.393389100806246,
"density_atomic": 0.11427510337070543,
"volume": 140.01299957783823,
"volume_molar": 5.269862448047265,
"formula_full": "Li4 Cr3 Ni1 O8",
"formula_reduced": "Li4Cr3NiO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.7931020375,
"spacegroup": 12
},
{
"id": "jvasp-28698",
"created_at": "2022-09-04T14:38:09.641518Z",
"updated_at": "2022-09-04T14:38:09.641544Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257284 0.000000 -0.000000\n-1.628642 2.820892 -0.000015\n-0.000000 -0.000172 34.342681\nMo W Se S\n2 2 4 4\ndirect\n0.333315 0.666629 0.094920 Mo\n0.666676 0.333355 0.281809 Mo\n0.333316 0.666633 0.469516 W\n0.666691 0.333381 0.656667 W\n0.333345 0.666691 0.331253 Se\n0.333359 0.666719 0.706369 Se\n0.333344 0.666689 0.232362 Se\n0.333357 0.666716 0.606913 Se\n0.666644 0.333288 0.049948 S\n0.666649 0.333295 0.424280 S\n0.666649 0.333299 0.139963 S\n0.666651 0.333302 0.514751 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.281526126918367,
"density_atomic": 0.03802812957564698,
"volume": 315.5558828137774,
"volume_molar": 15.836016199588604,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.6735987722222223,
"spacegroup": 156
},
{
"id": "jvasp-25551",
"created_at": "2022-09-04T14:38:09.642023Z",
"updated_at": "2022-09-04T14:38:09.642051Z",
"structure_string": "P2 H4 F6\n1.0\n4.823485 -0.008004 0.000000\n-1.599227 4.550664 0.000000\n0.000000 0.000000 6.028672\nP H F\n2 4 6\ndirect\n0.687076 0.312924 0.251107 P\n0.312924 0.687075 0.751106 P\n0.837379 0.612705 0.274813 H\n0.162621 0.387294 0.774813 H\n0.387295 0.162621 0.274813 H\n0.612705 0.837378 0.774813 H\n0.634122 0.365879 0.981077 F\n0.740471 0.259530 0.518253 F\n0.118495 0.881503 0.682936 F\n0.881505 0.118497 0.182936 F\n0.259529 0.740470 0.018253 F\n0.365879 0.634121 0.481077 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 2.259667152806693,
"density_atomic": 0.0907354966598821,
"volume": 132.25254108633422,
"volume_molar": 6.6370284857465665,
"formula_full": "P2 H4 F6",
"formula_reduced": "PH2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1534927245833333,
"spacegroup": 36
},
{
"id": "jvasp-9840",
"created_at": "2022-09-04T14:38:09.649405Z",
"updated_at": "2022-09-04T14:38:09.649443Z",
"structure_string": "Si4 Mo2 O12\n1.0\n5.226024 0.121577 1.208086\n1.415580 6.418691 0.655216\n0.189476 0.023723 6.602749\nSi Mo O\n4 2 12\ndirect\n0.233777 0.218110 0.392606 Si\n0.266228 0.607393 0.781889 Si\n0.733777 0.392606 0.218111 Si\n0.766229 0.781889 0.607394 Si\n0.249999 0.093726 0.906272 Mo\n0.749998 0.906273 0.093726 Mo\n0.649671 0.953157 0.798456 O\n0.850324 0.201546 0.046842 O\n0.697400 0.624456 0.103472 O\n0.802581 0.896533 0.375547 O\n0.302582 0.375545 0.896533 O\n0.548754 0.640824 0.639421 O\n0.951262 0.360595 0.359163 O\n0.350324 0.046841 0.201547 O\n0.048754 0.639419 0.640825 O\n0.451263 0.359163 0.360594 O\n0.197402 0.103470 0.624456 O\n0.149673 0.798455 0.953158 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"Mo",
"O"
],
"chemical_system": "Mo-O-Si",
"density": 3.7650118712986678,
"density_atomic": 0.082246995913384,
"volume": 218.85297815565409,
"volume_molar": 7.322019112214189,
"formula_full": "Si4 Mo2 O12",
"formula_reduced": "Si2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2355649000000004,
"spacegroup": 15
},
{
"id": "jvasp-37537",
"created_at": "2022-09-04T14:38:09.651165Z",
"updated_at": "2022-09-04T14:38:09.651199Z",
"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n0.000000 5.403398 -0.007046\n5.754971 0.000000 0.000000\n0.000000 -5.361674 -7.758351\nSm Mg Ir O\n4 2 2 12\ndirect\n0.268923 0.430788 0.249166 Sm\n0.731079 0.930787 0.250834 Sm\n0.268923 0.069212 0.749166 Sm\n0.731079 0.569212 0.750834 Sm\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.000000 Ir\n0.500001 0.000000 0.500000 Ir\n0.145111 0.465814 0.751240 O\n0.854891 0.965814 0.748760 O\n0.365306 0.300121 0.553940 O\n0.246885 0.801976 0.553428 O\n0.753117 0.198024 0.446573 O\n0.365306 0.199879 0.053940 O\n0.145111 0.034186 0.251240 O\n0.854890 0.534186 0.248760 O\n0.634696 0.800121 0.946061 O\n0.246884 0.698023 0.053428 O\n0.634695 0.699878 0.446061 O\n0.753117 0.301976 0.946573 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sm",
"density": 8.434080017822785,
"density_atomic": 0.08282458676101247,
"volume": 241.47418999758273,
"volume_molar": 7.270957810362137,
"formula_full": "Sm4 Mg2 Ir2 O12",
"formula_reduced": "Sm2MgIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.27609389,
"spacegroup": 14
},
{
"id": "jvasp-10057",
"created_at": "2022-09-04T14:38:09.652093Z",
"updated_at": "2022-09-04T14:38:09.652108Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n5.888608 -0.881234 0.011992\n2.181133 5.540301 0.011992\n2.699704 1.558675 4.408599\nZn Mo O\n2 4 8\ndirect\n0.124999 0.625000 0.625000 Zn\n0.624999 0.125001 0.625000 Zn\n0.103241 0.103241 -0.103241 Mo\n0.146759 0.146760 0.353241 Mo\n0.625000 0.625001 0.125000 Mo\n0.624999 0.625001 0.625000 Mo\n0.346984 0.346985 0.406925 O\n0.412637 0.851889 0.367736 O\n0.346984 0.346985 0.899105 O\n0.851888 0.412639 0.367736 O\n0.398110 0.837363 0.882263 O\n0.837361 0.398113 0.882263 O\n0.903015 0.903016 0.350894 O\n0.903015 0.903017 0.843074 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 7.018673925941718,
"density_atomic": 0.09208977169175028,
"volume": 152.02556964590855,
"volume_molar": 6.539424139477462,
"formula_full": "Zn2 Mo4 O8",
"formula_reduced": "Zn(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.053768028571428,
"spacegroup": 74
},
{
"id": "jvasp-18353",
"created_at": "2022-09-04T14:38:09.657924Z",
"updated_at": "2022-09-04T14:38:09.657952Z",
"structure_string": "Er1 Bi1\n1.0\n3.837374 -0.000000 2.215509\n1.279125 3.617911 2.215509\n-0.000000 -0.000000 4.431017\nEr Bi\n1 1\ndirect\n0.499999 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Bi"
],
"chemical_system": "Bi-Er",
"density": 10.155889024734396,
"density_atomic": 0.032511317672218966,
"volume": 61.51703908663803,
"volume_molar": 18.5232134259078,
"formula_full": "Er1 Bi1",
"formula_reduced": "ErBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.32196215,
"spacegroup": 225
},
{
"id": "jvasp-14752",
"created_at": "2022-09-04T14:38:09.661693Z",
"updated_at": "2022-09-04T14:38:09.661712Z",
"structure_string": "Er2 Ge6\n1.0\n3.922179 -0.000000 0.000000\n-0.000000 3.955958 -0.765341\n-0.000000 -0.006059 10.575301\nEr Ge\n2 6\ndirect\n0.250000 0.582013 0.164025 Er\n0.750000 0.417987 0.835975 Er\n0.250000 0.188464 0.376926 Ge\n0.750000 0.811537 0.623074 Ge\n0.750000 0.040407 0.080813 Ge\n0.250000 0.959594 0.919187 Ge\n0.750000 0.690438 0.380875 Ge\n0.250000 0.309563 0.619125 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Ge"
],
"chemical_system": "Er-Ge",
"density": 7.7968291271991035,
"density_atomic": 0.048760293268207355,
"volume": 164.06792215124253,
"volume_molar": 12.350501517443806,
"formula_full": "Er2 Ge6",
"formula_reduced": "ErGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8271144624999999,
"spacegroup": 63
}
]
}