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=1065",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1063",
"results": [
{
"id": "jvasp-53291",
"created_at": "2022-09-04T14:36:16.150985Z",
"updated_at": "2022-09-04T14:36:16.151018Z",
"structure_string": "V2 Ge6\n1.0\n5.127088 -0.000000 0.000000\n-0.000000 5.127088 0.000000\n0.000000 -0.000000 5.127088\nV Ge\n2 6\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.750000 0.000000 Ge\n0.000000 0.500000 0.750000 Ge\n0.500000 0.250000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.250000 0.000000 0.500000 Ge\n0.750000 0.000000 0.500000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Ge"
],
"chemical_system": "Ge-V",
"density": 6.625145117672382,
"density_atomic": 0.05935778304865157,
"volume": 134.7759230401671,
"volume_molar": 10.145494745085168,
"formula_full": "V2 Ge6",
"formula_reduced": "VGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7556580125,
"spacegroup": 223
},
{
"id": "jvasp-69198",
"created_at": "2022-09-04T14:36:16.154820Z",
"updated_at": "2022-09-04T14:36:16.154845Z",
"structure_string": "Ba1 Ca1 Ta2\n1.0\n-2.127989 2.127989 5.464261\n2.127989 -2.127989 5.464261\n2.127989 2.127989 -5.464261\nBa Ca Ta\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ta"
],
"chemical_system": "Ba-Ca-Ta",
"density": 9.047944873356077,
"density_atomic": 0.04041381112453879,
"volume": 98.97606508016878,
"volume_molar": 14.901194894592425,
"formula_full": "Ba1 Ca1 Ta2",
"formula_reduced": "BaCaTa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4430661974999994,
"spacegroup": 139
},
{
"id": "jvasp-97311",
"created_at": "2022-09-04T14:36:16.155515Z",
"updated_at": "2022-09-04T14:36:16.155549Z",
"structure_string": "Li4 B4 S8 O32\n1.0\n7.596727 0.000000 -0.354700\n0.000000 9.245400 0.000000\n-0.011403 0.000000 8.533832\nLi B S O\n4 4 8 32\ndirect\n0.237822 0.119106 0.534015 Li\n0.237822 0.880894 0.034015 Li\n0.720360 0.673448 0.869158 Li\n0.720360 0.326552 0.369158 Li\n0.217297 0.404235 0.019393 B\n0.217298 0.595765 0.519393 B\n0.733496 0.851086 0.397229 B\n0.733496 0.148914 0.897229 B\n0.087213 0.835614 0.371920 S\n0.643458 0.946717 0.101695 S\n0.643459 0.053283 0.601695 S\n0.087213 0.164386 0.871920 S\n0.119812 0.379987 0.320377 S\n0.573817 0.618283 0.516878 S\n0.573817 0.381717 0.016878 S\n0.119812 0.620013 0.820377 S\n0.391864 0.560213 0.462052 O\n0.590336 0.256032 0.896653 O\n0.590336 0.743968 0.396653 O\n0.211710 0.451301 0.182925 O\n0.211711 0.548699 0.682925 O\n0.086399 0.513750 0.423004 O\n0.683265 0.962757 0.279659 O\n0.683265 0.037243 0.779659 O\n0.759008 0.926212 0.548719 O\n0.759007 0.073788 0.048719 O\n0.177510 0.247516 0.011211 O\n0.177510 0.752484 0.511211 O\n0.391864 0.439787 0.962052 O\n0.086399 0.486250 0.923004 O\n0.166237 0.204077 0.728098 O\n0.949038 0.675870 0.771571 O\n0.087836 0.013921 0.914866 O\n0.087836 0.986079 0.414867 O\n0.709577 0.811008 0.045559 O\n0.709577 0.188992 0.545559 O\n0.460252 0.978515 0.066254 O\n0.460252 0.021485 0.566254 O\n0.897217 0.774962 0.363381 O\n0.949038 0.324130 0.271571 O\n0.242105 0.718160 0.898596 O\n0.242104 0.281840 0.398596 O\n0.699968 0.507016 0.487550 O\n0.699968 0.492984 0.987550 O\n0.571272 0.675258 0.674163 O\n0.571272 0.324742 0.174163 O\n0.166236 0.795923 0.228098 O\n0.897217 0.225038 0.863381 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"B",
"S",
"O"
],
"chemical_system": "B-Li-O-S",
"density": 2.3259754812284514,
"density_atomic": 0.08008884294496277,
"volume": 599.3344170671277,
"volume_molar": 7.519325462272477,
"formula_full": "Li4 B4 S8 O32",
"formula_reduced": "LiB(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.7285917152777777,
"spacegroup": 7
},
{
"id": "jvasp-86460",
"created_at": "2022-09-04T14:36:16.156327Z",
"updated_at": "2022-09-04T14:36:16.156341Z",
"structure_string": "Ca1 As2 O6\n1.0\n4.916251 0.000000 0.000000\n-2.458126 4.257598 -0.000000\n0.000000 -0.000000 5.085433\nCa As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.500000 As\n0.666667 0.333333 0.500000 As\n0.376554 0.376555 0.706024 O\n0.623445 -0.000000 0.706024 O\n-0.000000 0.623446 0.706024 O\n0.376554 -0.000000 0.293975 O\n-0.000000 0.376555 0.293975 O\n0.623445 0.623446 0.293975 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 4.460292594549438,
"density_atomic": 0.08455043991695606,
"volume": 106.44533616666739,
"volume_molar": 7.122542196013221,
"formula_full": "Ca1 As2 O6",
"formula_reduced": "Ca(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.244682768888889,
"spacegroup": 162
},
{
"id": "jvasp-74144",
"created_at": "2022-09-04T14:36:16.156858Z",
"updated_at": "2022-09-04T14:36:16.156876Z",
"structure_string": "Be1 Ga2 Co1\n1.0\n3.159896 0.000000 0.000000\n0.000000 3.159896 0.000000\n0.000000 -0.000000 4.982888\nBe Ga Co\n1 2 1\ndirect\n0.000000 0.000000 0.515183 Be\n0.000000 0.000000 0.971701 Ga\n0.500001 0.500001 0.270402 Ga\n0.500001 0.500001 0.742714 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Co"
],
"chemical_system": "Be-Co-Ga",
"density": 6.921705043707409,
"density_atomic": 0.08039578634325359,
"volume": 49.75385131407027,
"volume_molar": 7.490617399136053,
"formula_full": "Be1 Ga2 Co1",
"formula_reduced": "BeGa2Co",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0531054125,
"spacegroup": 99
},
{
"id": "jvasp-65002",
"created_at": "2022-09-04T14:36:16.158186Z",
"updated_at": "2022-09-04T14:36:16.158204Z",
"structure_string": "Hf1 Be2 Ru1\n1.0\n-1.872988 1.872988 3.813769\n1.872988 -1.872988 3.813769\n1.872988 1.872988 -3.813769\nHf Be Ru\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ru"
],
"chemical_system": "Be-Hf-Ru",
"density": 9.233680438903454,
"density_atomic": 0.07474387781362277,
"volume": 53.51608876882439,
"volume_molar": 8.057035487262889,
"formula_full": "Hf1 Be2 Ru1",
"formula_reduced": "HfBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.386491425,
"spacegroup": 119
},
{
"id": "jvasp-70973",
"created_at": "2022-09-04T14:36:16.159695Z",
"updated_at": "2022-09-04T14:36:16.159737Z",
"structure_string": "Be2 In1 Os1\n1.0\n2.851677 -2.851063 0.000000\n2.851677 2.851063 0.000000\n0.000000 0.000000 3.143581\nBe In Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.500000 0.000001 0.500000 In\n0.000001 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Os"
],
"chemical_system": "Be-In-Os",
"density": 10.495112764909816,
"density_atomic": 0.07825249501588606,
"volume": 51.11658100087363,
"volume_molar": 7.695781148930067,
"formula_full": "Be2 In1 Os1",
"formula_reduced": "Be2InOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3450567925000003,
"spacegroup": 123
},
{
"id": "jvasp-86312",
"created_at": "2022-09-04T14:36:16.165331Z",
"updated_at": "2022-09-04T14:36:16.165348Z",
"structure_string": "Sr1 Zn5\n1.0\n5.557717 0.000000 0.000000\n-2.778858 4.813124 0.000000\n0.000000 -0.000000 4.260156\nSr Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666666 0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 6.042233380568225,
"density_atomic": 0.0526504719739459,
"volume": 113.95909238893626,
"volume_molar": 11.43796158746698,
"formula_full": "Sr1 Zn5",
"formula_reduced": "SrZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-67955",
"created_at": "2022-09-04T14:36:16.172041Z",
"updated_at": "2022-09-04T14:36:16.172058Z",
"structure_string": "Mn2 Be1 Ge1\n1.0\n-1.744055 1.744055 3.851033\n1.744055 -1.744055 3.851033\n1.744055 1.744055 -3.851033\nMn Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.749998 0.499999 Mn\n0.500000 0.500000 0.000000 Be\n0.749998 0.250000 0.499999 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Mn",
"density": 6.787727568354937,
"density_atomic": 0.08536943490262794,
"volume": 46.85517720203238,
"volume_molar": 7.054211811134548,
"formula_full": "Mn2 Be1 Ge1",
"formula_reduced": "Mn2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7903616331896552,
"spacegroup": 119
},
{
"id": "jvasp-70558",
"created_at": "2022-09-04T14:36:16.172332Z",
"updated_at": "2022-09-04T14:36:16.172362Z",
"structure_string": "Be2 Bi1 Br1\n1.0\n-1.807123 1.807123 7.087074\n1.807123 -1.807123 7.087074\n1.807123 1.807123 -7.087074\nBe Bi Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Bi\n0.749999 0.250000 0.499999 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Br"
],
"chemical_system": "Be-Bi-Br",
"density": 5.504983252526755,
"density_atomic": 0.043207347496424436,
"volume": 92.57684703581988,
"volume_molar": 13.937770099167402,
"formula_full": "Be2 Bi1 Br1",
"formula_reduced": "Be2BiBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28648765125,
"spacegroup": 119
},
{
"id": "jvasp-91347",
"created_at": "2022-09-04T14:36:16.180880Z",
"updated_at": "2022-09-04T14:36:16.180905Z",
"structure_string": "Ho2 Ni12 P7\n1.0\n9.072249 0.000000 0.000000\n-4.536124 7.856798 -0.000000\n-0.000000 -0.000000 3.697679\nHo Ni P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Ho\n0.666667 0.333333 0.500000 Ho\n0.431596 0.049575 0.000000 Ni\n0.877970 0.152931 0.500000 Ni\n0.062041 0.627624 0.500000 Ni\n0.565584 0.937960 0.500000 Ni\n0.372376 0.434417 0.500000 Ni\n0.784395 0.906676 0.000000 Ni\n0.093325 0.877719 0.000000 Ni\n0.122281 0.215606 0.000000 Ni\n0.274961 0.122030 0.500000 Ni\n0.847070 0.725039 0.500000 Ni\n0.617979 0.568404 0.000000 Ni\n0.950426 0.382022 0.000000 Ni\n0.405426 0.294304 0.000000 P\n0.888879 0.594575 0.000000 P\n0.295218 0.886917 0.500000 P\n0.591700 0.704783 0.500000 P\n0.113083 0.408300 0.500000 P\n0.705696 0.111122 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"P"
],
"chemical_system": "Ho-Ni-P",
"density": 7.881627011782806,
"density_atomic": 0.07967636985441305,
"volume": 263.5662246958766,
"volume_molar": 7.558251927144558,
"formula_full": "Ho2 Ni12 P7",
"formula_reduced": "Ho2Ni12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 2.1422227825396827,
"spacegroup": 174
},
{
"id": "jvasp-1702",
"created_at": "2022-09-04T14:36:16.181200Z",
"updated_at": "2022-09-04T14:36:16.181221Z",
"structure_string": "Zn1 S1\n1.0\n3.326994 -0.000000 1.920841\n1.108998 3.136720 1.920841\n0.000000 0.000000 3.841682\nZn S\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.037278438914239,
"density_atomic": 0.049886244649561276,
"volume": 40.0912117969495,
"volume_molar": 12.071746034010122,
"formula_full": "Zn1 S1",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}