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=-volume&page=4458",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=4456",
"results": [
{
"id": "jvasp-67214",
"created_at": "2022-09-04T14:36:04.058238Z",
"updated_at": "2022-09-04T14:36:04.058262Z",
"structure_string": "Hf1 Mn1 Be1\n1.0\n-1.547428 1.547428 4.227295\n1.547428 -1.547428 4.227295\n1.547428 1.547428 -4.227295\nHf Mn Be\n1 1 1\ndirect\n0.332166 0.332166 0.000000 Hf\n0.641047 0.641047 0.000000 Mn\n0.026787 0.026787 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Be"
],
"chemical_system": "Be-Hf-Mn",
"density": 9.942837240108558,
"density_atomic": 0.07409310679419047,
"volume": 40.48959653336099,
"volume_molar": 8.127801654650263,
"formula_full": "Hf1 Mn1 Be1",
"formula_reduced": "HfMnBe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.40974878045977,
"spacegroup": 107
},
{
"id": "jvasp-16305",
"created_at": "2022-09-04T14:38:27.686659Z",
"updated_at": "2022-09-04T14:38:27.686689Z",
"structure_string": "Ca1\n1.0\n3.433831 0.000000 0.000000\n-0.000000 3.433831 0.000000\n-0.000000 -0.000000 3.433831\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6436842256699387,
"density_atomic": 0.024698083176297927,
"volume": 40.4889720737386,
"volume_molar": 24.383028905576296,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.3793004200000001,
"spacegroup": 221
},
{
"id": "jvasp-25127",
"created_at": "2022-09-04T14:37:52.034840Z",
"updated_at": "2022-09-04T14:37:52.034872Z",
"structure_string": "Ca1\n1.0\n3.433754 -0.000000 -0.000000\n0.000000 3.433754 0.000000\n0.000000 0.000000 3.433754\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.643794804229309,
"density_atomic": 0.02469974473538221,
"volume": 40.48624836869294,
"volume_molar": 24.381388652058927,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.3793004200000001,
"spacegroup": 221
},
{
"id": "jvasp-19781",
"created_at": "2022-09-04T14:38:33.340194Z",
"updated_at": "2022-09-04T14:38:33.340228Z",
"structure_string": "Er1 S1\n1.0\n3.337530 0.000000 1.926925\n1.112510 3.146654 1.926925\n-0.000000 -0.000000 3.853848\nEr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.499999 0.499999 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"S"
],
"chemical_system": "Er-S",
"density": 8.177865063219024,
"density_atomic": 0.04941527818427325,
"volume": 40.47331257636254,
"volume_molar": 12.186799267916673,
"formula_full": "Er1 S1",
"formula_reduced": "ErS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0383649999999997,
"spacegroup": 225
},
{
"id": "jvasp-115006",
"created_at": "2022-09-04T14:38:44.459193Z",
"updated_at": "2022-09-04T14:38:44.459222Z",
"structure_string": "Si1 Ge1 N1\n1.0\n4.321738 0.000000 -0.000000\n-2.160869 3.742735 0.000000\n-0.000000 0.000000 2.502110\nSi Ge N\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Si\n0.000000 0.000000 0.000000 Ge\n0.333334 0.666667 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"Ge",
"N"
],
"chemical_system": "Ge-N-Si",
"density": 4.707393538452663,
"density_atomic": 0.0741254499898191,
"volume": 40.47192968692994,
"volume_molar": 8.124255246783829,
"formula_full": "Si1 Ge1 N1",
"formula_reduced": "SiGeN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1153759333333326,
"spacegroup": 187
},
{
"id": "jvasp-67103",
"created_at": "2022-09-04T14:35:52.451364Z",
"updated_at": "2022-09-04T14:35:52.451384Z",
"structure_string": "Mn1 Be1 Sb1\n1.0\n-1.584963 1.584963 4.027657\n1.584963 -1.584963 4.027657\n1.584963 1.584963 -4.027657\nMn Be Sb\n1 1 1\ndirect\n0.651578 0.651578 0.000000 Mn\n0.018680 0.018680 0.000000 Be\n0.329743 0.329743 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Sb"
],
"chemical_system": "Be-Mn-Sb",
"density": 7.619635418888532,
"density_atomic": 0.07412599368846665,
"volume": 40.47163283379732,
"volume_molar": 8.124195657072173,
"formula_full": "Mn1 Be1 Sb1",
"formula_reduced": "MnBeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3605598137931034,
"spacegroup": 107
},
{
"id": "jvasp-117829",
"created_at": "2022-09-04T14:38:28.903590Z",
"updated_at": "2022-09-04T14:38:28.903613Z",
"structure_string": "Br1 O2\n1.0\n3.895527 0.025752 -0.171392\n0.204703 -3.448923 -0.150781\n1.275828 -2.673088 -3.177453\nBr O\n1 2\ndirect\n-0.104382 0.157506 0.932853 Br\n0.451544 0.044867 0.239956 O\n0.865205 0.195437 0.534227 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 4.591344070776912,
"density_atomic": 0.07412608160304779,
"volume": 40.4715848338684,
"volume_molar": 8.124186021661224,
"formula_full": "Br1 O2",
"formula_reduced": "BrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5940770350000006,
"spacegroup": 1
},
{
"id": "jvasp-70683",
"created_at": "2022-09-04T14:35:54.376893Z",
"updated_at": "2022-09-04T14:35:54.376918Z",
"structure_string": "Be1 Si1 W1\n1.0\n1.391942 -2.410913 0.000000\n1.391942 2.410913 -0.000000\n0.000000 0.000000 6.030000\nBe Si W\n1 1 1\ndirect\n0.000000 0.000000 0.990157 Be\n0.333333 0.666666 0.684908 Si\n0.666666 0.333333 0.324934 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Si",
"W"
],
"chemical_system": "Be-Si-W",
"density": 9.065022885542973,
"density_atomic": 0.07412612009058724,
"volume": 40.47156382033476,
"volume_molar": 8.124181803445977,
"formula_full": "Be1 Si1 W1",
"formula_reduced": "BeSiW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.933188233333333,
"spacegroup": 156
},
{
"id": "jvasp-67433",
"created_at": "2022-09-04T14:35:44.957445Z",
"updated_at": "2022-09-04T14:35:44.957470Z",
"structure_string": "Hf1 Be1 Co1\n1.0\n1.898205 -3.287787 -0.000000\n1.898205 3.287787 -0.000000\n-0.000000 -0.000000 3.241787\nHf Be Co\n1 1 1\ndirect\n0.666668 0.333334 0.333336 Hf\n0.000000 0.000000 0.833282 Be\n0.333334 0.666668 0.833385 Co\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Co"
],
"chemical_system": "Be-Co-Hf",
"density": 10.113253456187111,
"density_atomic": 0.07414126569469229,
"volume": 40.463296274894425,
"volume_molar": 8.122522192699929,
"formula_full": "Hf1 Be1 Co1",
"formula_reduced": "HfBeCo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0387766666666662,
"spacegroup": 187
},
{
"id": "jvasp-29783",
"created_at": "2022-09-04T14:38:06.845626Z",
"updated_at": "2022-09-04T14:38:06.845653Z",
"structure_string": "Ni1 H2 O2\n1.0\n3.367314 -0.000379 0.000124\n-1.683985 2.916749 0.000000\n0.000125 0.000072 4.118972\nNi H O\n1 2 2\ndirect\n0.999957 0.999979 0.979906 Ni\n0.666725 0.333364 0.028936 H\n0.333365 0.666682 0.438221 H\n0.666585 0.333292 0.787873 O\n0.333368 0.666684 0.198795 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.805602239542306,
"density_atomic": 0.12360234604694074,
"volume": 40.45230660995009,
"volume_molar": 4.872189689435957,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.22817188,
"spacegroup": 156
},
{
"id": "jvasp-120045",
"created_at": "2022-09-04T14:38:53.426473Z",
"updated_at": "2022-09-04T14:38:53.426503Z",
"structure_string": "H1 C1 Cl1\n1.0\n2.389814 0.000000 0.000000\n0.000000 2.389814 0.000000\n0.000000 0.000000 7.081110\nH C Cl\n1 1 1\ndirect\n0.000000 0.000000 0.059236 H\n0.000000 0.000000 0.216599 C\n0.000000 0.000000 0.681468 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H",
"density": 1.990248331884433,
"density_atomic": 0.07418083402648562,
"volume": 40.441713002699274,
"volume_molar": 8.118189609259243,
"formula_full": "H1 C1 Cl1",
"formula_reduced": "HCCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1072946891666664,
"spacegroup": 99
},
{
"id": "jvasp-8640",
"created_at": "2022-09-04T14:36:46.027323Z",
"updated_at": "2022-09-04T14:36:46.027333Z",
"structure_string": "Li1 Mn1 O2\n1.0\n3.147609 -0.179778 0.080248\n-1.728992 2.636366 -0.080314\n0.149179 -0.086056 5.066533\nLi Mn O\n1 1 2\ndirect\n0.676416 0.323574 0.414222 Li\n0.980970 0.018992 0.974823 Mn\n0.369111 0.630869 0.219549 O\n0.640098 0.359859 0.782806 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.855815275651127,
"density_atomic": 0.09893819928462871,
"volume": 40.4292783669194,
"volume_molar": 6.086770128770289,
"formula_full": "Li1 Mn1 O2",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9432235603448276,
"spacegroup": 8
}
]
}