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=nelements&page=3577",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3575",
"results": [
{
"id": "jvasp-12059",
"created_at": "2022-09-04T14:36:44.976852Z",
"updated_at": "2022-09-04T14:36:44.976877Z",
"structure_string": "Cu2 H2 O4\n1.0\n-2.796586 0.000000 0.000000\n0.000000 0.000000 -4.389456\n0.000000 -5.665114 0.000000\nCu H O\n2 2 4\ndirect\n0.500001 0.785756 0.237274 Cu\n0.000000 0.285755 0.762725 Cu\n0.000000 0.330081 0.262638 H\n0.500001 0.830082 0.737361 H\n0.500001 0.038952 0.646256 O\n0.000000 0.538953 0.353743 O\n0.500001 0.531603 0.865209 O\n0.000000 0.031603 0.134790 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O",
"density": 4.611011051028997,
"density_atomic": 0.11503829970980937,
"volume": 69.54205703822512,
"volume_molar": 5.234900702801755,
"formula_full": "Cu2 H2 O4",
"formula_reduced": "CuHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5602043624999995,
"spacegroup": 31
},
{
"id": "jvasp-100978",
"created_at": "2022-09-04T14:36:44.988038Z",
"updated_at": "2022-09-04T14:36:44.988063Z",
"structure_string": "Hf1 Tc2 Mo1\n1.0\n3.896297 -0.000000 2.249528\n1.298766 3.673464 2.249528\n-0.000000 -0.000000 4.499056\nHf Tc Mo\n1 2 1\ndirect\n0.500001 0.499999 0.500001 Hf\n0.750002 0.749999 0.750001 Tc\n0.250001 0.250000 0.250000 Tc\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"Mo"
],
"chemical_system": "Hf-Mo-Tc",
"density": 12.130951486148529,
"density_atomic": 0.06211703966801745,
"volume": 64.39456904865192,
"volume_molar": 9.69482897476303,
"formula_full": "Hf1 Tc2 Mo1",
"formula_reduced": "HfTc2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.511680475,
"spacegroup": 225
},
{
"id": "jvasp-107228",
"created_at": "2022-09-04T14:36:45.002034Z",
"updated_at": "2022-09-04T14:36:45.002058Z",
"structure_string": "Tm2 Pt1 Rh1\n1.0\n4.170094 -0.000000 2.407605\n1.390031 3.931602 2.407605\n-0.000000 -0.000000 4.815209\nTm Pt Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750000 0.749999 Tm\n0.499999 0.500000 0.499999 Pt\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Pt",
"Rh"
],
"chemical_system": "Pt-Rh-Tm",
"density": 13.374533671098042,
"density_atomic": 0.050667497792303035,
"volume": 78.94607340581254,
"volume_molar": 11.885609162477392,
"formula_full": "Tm2 Pt1 Rh1",
"formula_reduced": "Tm2PtRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7553282250000002,
"spacegroup": 225
},
{
"id": "jvasp-50202",
"created_at": "2022-09-04T14:36:45.006082Z",
"updated_at": "2022-09-04T14:36:45.006099Z",
"structure_string": "Zr8 N8 O4\n1.0\n3.137978 -0.000000 0.000000\n0.000000 8.499664 0.000000\n0.000000 0.000000 8.559994\nZr N O\n8 8 4\ndirect\n0.250000 0.001095 0.181869 Zr\n0.750001 0.178751 0.494842 Zr\n0.750001 0.321250 0.994841 Zr\n0.250000 0.498904 0.681869 Zr\n0.750001 0.501095 0.318130 Zr\n0.250000 0.678750 0.005158 Zr\n0.250000 0.821250 0.505158 Zr\n0.750001 0.998904 0.818130 Zr\n0.750001 0.944213 0.375939 N\n0.750001 0.866987 0.047414 N\n0.750001 0.633012 0.547414 N\n0.750001 0.555786 0.875939 N\n0.250000 0.133013 0.952585 N\n0.250000 0.366987 0.452585 N\n0.250000 0.055786 0.624061 N\n0.250000 0.444213 0.124061 N\n0.250000 0.690389 0.273583 O\n0.750001 0.190389 0.226416 O\n0.750001 0.309611 0.726416 O\n0.250000 0.809610 0.773583 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 6.5883553196014555,
"density_atomic": 0.08760015668328895,
"volume": 228.31009392264363,
"volume_molar": 6.874577612654902,
"formula_full": "Zr8 N8 O4",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0890578,
"spacegroup": 62
},
{
"id": "jvasp-8774",
"created_at": "2022-09-04T14:36:45.027963Z",
"updated_at": "2022-09-04T14:36:45.027989Z",
"structure_string": "Li2 Y2 S4\n1.0\n7.677290 -0.000073 -0.000087\n7.677208 6.738633 0.062923\n3.838549 4.522150 3.197507\nLi Y S\n2 2 4\ndirect\n0.500008 0.000003 0.999982 Li\n0.249992 0.499997 0.000017 Li\n0.000007 -0.000004 0.999996 Y\n0.749993 0.500004 0.000004 Y\n0.246022 0.000001 0.507951 S\n0.996016 0.500000 0.507965 S\n0.753983 0.000001 0.492033 S\n0.503978 0.499999 0.492048 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Y",
"S"
],
"chemical_system": "Li-S-Y",
"density": 3.2547362797726955,
"density_atomic": 0.04900829093770359,
"volume": 163.23768584726045,
"volume_molar": 12.288004018860779,
"formula_full": "Li2 Y2 S4",
"formula_reduced": "LiYS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3396488625000005,
"spacegroup": 141
},
{
"id": "jvasp-42459",
"created_at": "2022-09-04T14:36:45.030802Z",
"updated_at": "2022-09-04T14:36:45.030829Z",
"structure_string": "Dy2 V2 O7\n1.0\n3.366531 4.706332 0.196411\n-3.366531 4.706332 -0.196411\n-1.267313 0.000000 5.004408\nDy V O\n2 2 7\ndirect\n0.310482 0.310481 0.500000 Dy\n0.689518 0.689518 0.500000 Dy\n0.241189 0.758810 0.904081 V\n0.758811 0.241189 0.095920 V\n0.070252 0.606841 0.711154 O\n0.393159 0.929748 0.711154 O\n0.415284 0.584716 0.223010 O\n0.584716 0.415283 0.776990 O\n0.000000 0.000000 0.000000 O\n0.606841 0.070251 0.288846 O\n0.929748 0.393159 0.288846 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Dy",
"V",
"O"
],
"chemical_system": "Dy-O-V",
"density": 5.560613935134676,
"density_atomic": 0.068355778377379,
"volume": 160.92275241562072,
"volume_molar": 8.809995150304527,
"formula_full": "Dy2 V2 O7",
"formula_reduced": "Dy2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8390741727272726,
"spacegroup": 12
},
{
"id": "jvasp-99787",
"created_at": "2022-09-04T14:36:45.032965Z",
"updated_at": "2022-09-04T14:36:45.032974Z",
"structure_string": "Ho2 Zn1 Ga1\n1.0\n4.325039 -0.000000 2.497063\n1.441680 4.077686 2.497063\n-0.000000 -0.000000 4.994125\nHo Zn Ga\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Ho\n0.750000 0.750001 0.749998 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Zn",
"Ga"
],
"chemical_system": "Ga-Ho-Zn",
"density": 8.766615518871308,
"density_atomic": 0.04541473401530645,
"volume": 88.07714251176395,
"volume_molar": 13.260323748610563,
"formula_full": "Ho2 Zn1 Ga1",
"formula_reduced": "Ho2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0680084645833332,
"spacegroup": 225
},
{
"id": "jvasp-8548",
"created_at": "2022-09-04T14:36:45.037939Z",
"updated_at": "2022-09-04T14:36:45.037956Z",
"structure_string": "Ce2 Cu2 Sn2\n1.0\n2.280557 -3.950042 -0.000000\n2.280557 3.950042 -0.000000\n0.000000 0.000000 7.759530\nCe Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666668 0.333334 0.250000 Cu\n0.333334 0.666668 0.750000 Cu\n0.333334 0.666668 0.250000 Sn\n0.666668 0.333334 0.750000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Sn"
],
"chemical_system": "Ce-Cu-Sn",
"density": 7.658229017782615,
"density_atomic": 0.042918367414050695,
"volume": 139.80028508809747,
"volume_molar": 14.031616584810866,
"formula_full": "Ce2 Cu2 Sn2",
"formula_reduced": "CeCuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4846925500000001,
"spacegroup": 194
},
{
"id": "jvasp-101191",
"created_at": "2022-09-04T14:36:45.061675Z",
"updated_at": "2022-09-04T14:36:45.061703Z",
"structure_string": "Ge1 Sb2 Te4\n1.0\n4.263871 -0.013424 12.699717\n2.063903 3.731097 12.699717\n-0.022848 -0.013424 13.396376\nGe Sb Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.858775 0.858780 0.858778 Sb\n0.141222 0.141223 0.141222 Sb\n0.569929 0.569932 0.569931 Te\n0.430068 0.430070 0.430069 Te\n0.708262 0.708266 0.708264 Te\n0.291736 0.291737 0.291736 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ge",
"Sb",
"Te"
],
"chemical_system": "Ge-Sb-Te",
"density": 6.385234118928449,
"density_atomic": 0.03256502258047947,
"volume": 214.95455692378445,
"volume_molar": 18.492665697120895,
"formula_full": "Ge1 Sb2 Te4",
"formula_reduced": "Ge(SbTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.248644173809524,
"spacegroup": 166
},
{
"id": "jvasp-15580",
"created_at": "2022-09-04T14:36:45.073617Z",
"updated_at": "2022-09-04T14:36:45.073640Z",
"structure_string": "Ce1 Si2 Cu2\n1.0\n3.823964 -0.000000 -1.457549\n-0.555562 3.783392 -1.457549\n-0.006257 -0.007242 5.728555\nCe Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.620305 0.620306 0.240611 Si\n0.379693 0.379694 0.759387 Si\n0.749999 0.250000 0.499999 Cu\n0.250000 0.750000 0.499999 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Cu"
],
"chemical_system": "Ce-Cu-Si",
"density": 6.485507183787408,
"density_atomic": 0.06038833253590384,
"volume": 82.79745093188744,
"volume_molar": 9.972358081620387,
"formula_full": "Ce1 Si2 Cu2",
"formula_reduced": "Ce(CuSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.51293872,
"spacegroup": 139
},
{
"id": "jvasp-1648",
"created_at": "2022-09-04T14:36:45.075901Z",
"updated_at": "2022-09-04T14:36:45.075935Z",
"structure_string": "K1 Er1 Te2\n1.0\n4.278901 -0.003486 7.358587\n1.981266 3.792570 7.358587\n-0.005760 -0.003486 8.512212\nK Er Te\n1 1 2\ndirect\n0.500001 0.499999 0.500000 K\n0.000000 0.000000 0.000000 Er\n0.263345 0.263344 0.263345 Te\n0.736656 0.736654 0.736656 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Er",
"Te"
],
"chemical_system": "Er-K-Te",
"density": 5.537214353010461,
"density_atomic": 0.02889858681784035,
"volume": 138.4150728619929,
"volume_molar": 20.838876302014434,
"formula_full": "K1 Er1 Te2",
"formula_reduced": "KErTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2013133833333332,
"spacegroup": 166
},
{
"id": "jvasp-103676",
"created_at": "2022-09-04T14:36:45.084911Z",
"updated_at": "2022-09-04T14:36:45.084936Z",
"structure_string": "Tm1 Al1 Ni4\n1.0\n4.998292 -0.000000 0.000000\n-2.499146 4.328648 0.000000\n-0.000000 -0.000000 3.842188\nTm Al Ni\n1 1 4\ndirect\n0.333333 0.666667 -0.000000 Tm\n0.666666 0.333333 -0.000000 Al\n0.000000 0.000000 0.000000 Ni\n0.329926 0.164963 0.500000 Ni\n0.835037 0.164963 0.500000 Ni\n0.835036 0.670074 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tm",
"density": 8.603213934315693,
"density_atomic": 0.07217698624843147,
"volume": 83.12899044230168,
"volume_molar": 8.34357469467059,
"formula_full": "Tm1 Al1 Ni4",
"formula_reduced": "TmAlNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2427811083333336,
"spacegroup": 187
}
]
}