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=475",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=473",
"results": [
{
"id": "jvasp-91289",
"created_at": "2022-09-04T14:35:56.382322Z",
"updated_at": "2022-09-04T14:35:56.382347Z",
"structure_string": "Sr2 In8 Ni2\n1.0\n4.381544 -0.000000 -1.149986\n-0.000000 7.390137 0.000000\n0.001840 0.000000 8.929037\nSr In Ni\n2 8 2\ndirect\n0.120888 0.750000 0.241774 Sr\n0.879111 0.250000 0.758225 Sr\n0.689575 0.048600 0.379151 In\n0.310424 0.951400 0.620849 In\n0.310424 0.548600 0.620849 In\n0.689575 0.451400 0.379151 In\n0.075485 0.250000 0.150970 In\n0.924514 0.750000 0.849030 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.774752 0.750000 0.549505 Ni\n0.225247 0.250000 0.450495 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"In",
"Ni"
],
"chemical_system": "In-Ni-Sr",
"density": 6.955794001275922,
"density_atomic": 0.04150242451788607,
"volume": 289.1397343504215,
"volume_molar": 14.510334829727046,
"formula_full": "Sr2 In8 Ni2",
"formula_reduced": "SrIn4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-86288",
"created_at": "2022-09-04T14:35:56.387056Z",
"updated_at": "2022-09-04T14:35:56.387072Z",
"structure_string": "Tb2 Al4 Ni1 Ge2\n1.0\n4.069120 0.000000 -0.850538\n-0.177781 4.065234 -0.850538\n-0.001019 -0.001065 10.154078\nTb Al Ni Ge\n2 4 1 2\ndirect\n0.813585 0.813583 0.627169 Tb\n0.186415 0.186415 0.372831 Tb\n0.932593 0.432591 0.865185 Al\n0.432593 0.932591 0.865185 Al\n0.567407 0.067407 0.134815 Al\n0.067407 0.567407 0.134814 Al\n0.000000 0.000000 0.000000 Ni\n0.662839 0.662838 0.325678 Ge\n0.337161 0.337160 0.674322 Ge\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tb",
"Al",
"Ni",
"Ge"
],
"chemical_system": "Al-Ge-Ni-Tb",
"density": 6.226012151670532,
"density_atomic": 0.05358398694028184,
"volume": 167.96062618539938,
"volume_molar": 11.23869481140241,
"formula_full": "Tb2 Al4 Ni1 Ge2",
"formula_reduced": "Tb2Al4NiGe2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.5373669222222222,
"spacegroup": 139
},
{
"id": "jvasp-93922",
"created_at": "2022-09-04T14:35:56.388037Z",
"updated_at": "2022-09-04T14:35:56.388064Z",
"structure_string": "Mg3 Sn3\n1.0\n3.546885 -0.000000 -0.000000\n-1.773443 3.071694 -0.000000\n-0.000000 -0.000000 13.474138\nMg Sn\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.333333 Mg\n0.333334 0.666666 0.666667 Mg\n0.333334 0.666666 0.166667 Sn\n0.000000 0.000000 0.500000 Sn\n0.666668 0.333333 0.833333 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.8531743607116,
"density_atomic": 0.04087193531186005,
"volume": 146.79999746082356,
"volume_molar": 14.734170804612036,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.2499978714285714,
"spacegroup": 166
},
{
"id": "jvasp-105700",
"created_at": "2022-09-04T14:35:56.389037Z",
"updated_at": "2022-09-04T14:35:56.389053Z",
"structure_string": "Ag1 Cl1 O3\n1.0\n4.154712 -0.007834 0.809374\n0.665437 4.101083 0.809374\n-0.009226 -0.007834 4.232804\nAg Cl O\n1 1 3\ndirect\n0.018445 0.018445 0.018445 Ag\n0.504605 0.504606 0.504604 Cl\n0.871657 0.422646 0.422644 O\n0.422645 0.871658 0.422644 O\n0.422644 0.422646 0.871656 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 4.400376560346553,
"density_atomic": 0.0692550965886609,
"volume": 72.1968525969632,
"volume_molar": 8.695592175357678,
"formula_full": "Ag1 Cl1 O3",
"formula_reduced": "AgClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5137383655,
"spacegroup": 160
},
{
"id": "jvasp-3903",
"created_at": "2022-09-04T14:35:56.389390Z",
"updated_at": "2022-09-04T14:35:56.389416Z",
"structure_string": "Bi2 Te2 S1\n1.0\n4.240600 0.020872 9.534666\n2.041445 3.716937 9.534666\n0.035080 0.020872 10.435101\nBi Te S\n2 2 1\ndirect\n0.390688 0.390688 0.390689 Bi\n0.609311 0.609312 0.609313 Bi\n0.783170 0.783170 0.783172 Te\n0.216829 0.216830 0.216830 Te\n0.000000 0.000000 0.000000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"S"
],
"chemical_system": "Bi-S-Te",
"density": 7.212706827423793,
"density_atomic": 0.030795764838984652,
"volume": 162.35998768474983,
"volume_molar": 19.5550939925886,
"formula_full": "Bi2 Te2 S1",
"formula_reduced": "Bi2Te2S",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1118008266666666,
"spacegroup": 166
},
{
"id": "jvasp-15482",
"created_at": "2022-09-04T14:35:56.390633Z",
"updated_at": "2022-09-04T14:35:56.390652Z",
"structure_string": "Yb1 Si2 Pt2\n1.0\n3.982172 0.000000 -1.529489\n-0.587453 3.938603 -1.529489\n-0.091792 -0.106498 5.709741\nYb Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623384 0.623384 0.246769 Si\n0.376616 0.376615 0.753230 Si\n0.250000 0.749999 0.500000 Pt\n0.750000 0.250000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Yb",
"density": 11.653712880627264,
"density_atomic": 0.056653760757157785,
"volume": 88.25539440236166,
"volume_molar": 10.629728158406762,
"formula_full": "Yb1 Si2 Pt2",
"formula_reduced": "Yb(SiPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.10021014,
"spacegroup": 139
},
{
"id": "jvasp-74990",
"created_at": "2022-09-04T14:35:56.390837Z",
"updated_at": "2022-09-04T14:35:56.390865Z",
"structure_string": "Be1 Tc1 Sn2\n1.0\n4.591558 0.000000 0.000000\n0.000000 4.591558 0.000000\n0.000000 0.000000 3.314145\nBe Tc Sn\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Be\n0.500000 0.500000 0.499999 Tc\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Sn"
],
"chemical_system": "Be-Sn-Tc",
"density": 8.185800677243385,
"density_atomic": 0.05724905685926718,
"volume": 69.87014667915007,
"volume_molar": 10.519196455592208,
"formula_full": "Be1 Tc1 Sn2",
"formula_reduced": "BeTcSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.15715525,
"spacegroup": 123
},
{
"id": "jvasp-3807",
"created_at": "2022-09-04T14:35:56.393887Z",
"updated_at": "2022-09-04T14:35:56.393917Z",
"structure_string": "Tm2 I2 O2\n1.0\n3.873087 0.000000 -0.000000\n0.000000 3.873087 0.000000\n-0.000000 0.000000 9.204861\nTm I O\n2 2 2\ndirect\n0.500000 0.000000 0.116412 Tm\n0.000000 0.500000 0.883588 Tm\n0.500000 0.000000 0.678099 I\n0.000000 0.500000 0.321901 I\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"I",
"O"
],
"chemical_system": "I-O-Tm",
"density": 7.500263151609921,
"density_atomic": 0.04345297449077913,
"volume": 138.0803056709782,
"volume_molar": 13.858983948907614,
"formula_full": "Tm2 I2 O2",
"formula_reduced": "TmIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0445346750000001,
"spacegroup": 129
},
{
"id": "jvasp-43546",
"created_at": "2022-09-04T14:35:56.396754Z",
"updated_at": "2022-09-04T14:35:56.396775Z",
"structure_string": "Ti8 O12\n1.0\n5.108921 -0.000702 0.000129\n-2.553575 4.425214 0.000302\n-0.000504 -0.001197 9.655532\nTi O\n8 12\ndirect\n0.333337 0.666738 0.023254 Ti\n0.333366 0.666617 0.750000 Ti\n0.000006 0.999992 0.999998 Ti\n0.000008 0.000004 0.500002 Ti\n0.333287 0.666719 0.476746 Ti\n0.666652 0.333382 0.250000 Ti\n0.666685 0.333245 0.976743 Ti\n0.666735 0.333299 0.523257 Ti\n0.975035 0.652458 0.117952 O\n0.024934 0.677373 0.617965 O\n0.677387 0.024936 0.117971 O\n0.652458 0.975025 0.617967 O\n0.975085 0.322641 0.382039 O\n0.677403 0.652495 0.382083 O\n0.347522 0.322614 0.117919 O\n0.322616 0.347515 0.617917 O\n0.322632 0.975053 0.882029 O\n0.652496 0.677368 0.882076 O\n0.024984 0.347526 0.882044 O\n0.347560 0.024990 0.382037 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.373789939657803,
"density_atomic": 0.09162727169135933,
"volume": 218.27562504937106,
"volume_molar": 6.572432692621472,
"formula_full": "Ti8 O12",
"formula_reduced": "Ti2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.563221433333333,
"spacegroup": 163
},
{
"id": "jvasp-63969",
"created_at": "2022-09-04T14:35:56.396965Z",
"updated_at": "2022-09-04T14:35:56.396991Z",
"structure_string": "Ba4 Ge1 Bi1\n1.0\n0.000000 4.939183 4.939183\n4.939183 -0.000000 4.939183\n4.939183 4.939183 -0.000000\nBa Ge Bi\n4 1 1\ndirect\n0.125492 0.624835 0.624835 Ba\n0.624835 0.624835 0.624835 Ba\n0.624835 0.125492 0.624835 Ba\n0.624835 0.624835 0.125492 Ba\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Bi"
],
"chemical_system": "Ba-Bi-Ge",
"density": 5.725551857850563,
"density_atomic": 0.024897509264507883,
"volume": 240.98796133608326,
"volume_molar": 24.18772374385552,
"formula_full": "Ba4 Ge1 Bi1",
"formula_reduced": "Ba4GeBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1550590216666665,
"spacegroup": 216
},
{
"id": "jvasp-106120",
"created_at": "2022-09-04T14:35:56.397281Z",
"updated_at": "2022-09-04T14:35:56.397310Z",
"structure_string": "Ca1 Nd1 Co1 O4\n1.0\n3.587189 0.016950 -5.536221\n-0.299399 3.574713 -5.536221\n-0.015516 -0.016950 6.596773\nCa Nd Co O\n1 1 1 4\ndirect\n0.639787 0.639786 -0.000000 Ca\n0.360073 0.360073 -0.000000 Nd\n0.011599 0.011599 -0.000000 Co\n0.831496 0.831495 -0.000000 O\n0.167655 0.167655 -0.000000 O\n0.994695 0.494695 0.499999 O\n0.494694 0.994694 0.499999 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Co",
"O"
],
"chemical_system": "Ca-Co-Nd-O",
"density": 6.077109912939694,
"density_atomic": 0.08337829663110548,
"volume": 83.95470143711894,
"volume_molar": 7.222671850258637,
"formula_full": "Ca1 Nd1 Co1 O4",
"formula_reduced": "CaNdCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9248281171428572,
"spacegroup": 107
},
{
"id": "jvasp-69679",
"created_at": "2022-09-04T14:35:56.397729Z",
"updated_at": "2022-09-04T14:35:56.397744Z",
"structure_string": "Be2 Te1 P1\n1.0\n-2.384900 2.384900 2.776961\n2.384900 -2.384900 2.776961\n2.384900 2.384900 -2.776961\nBe Te P\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Te\n0.250000 0.750000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Te",
"P"
],
"chemical_system": "Be-P-Te",
"density": 4.6415717599001,
"density_atomic": 0.0633125597163336,
"volume": 63.178617606390446,
"volume_molar": 9.511763206197438,
"formula_full": "Be2 Te1 P1",
"formula_reduced": "Be2TeP",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.080101366666667,
"spacegroup": 139
}
]
}