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=4071",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4069",
"results": [
{
"id": "jvasp-90562",
"created_at": "2022-09-04T14:35:59.701962Z",
"updated_at": "2022-09-04T14:35:59.701982Z",
"structure_string": "Mg6 Ti2\n1.0\n2.976120 0.000000 0.000000\n0.000000 10.135467 0.000000\n0.000000 0.000000 5.546685\nMg Ti\n6 2\ndirect\n0.000000 0.500000 0.677587 Mg\n0.500000 0.752750 0.488233 Mg\n0.000000 0.747250 0.988232 Mg\n0.500000 0.000000 0.177587 Mg\n0.000000 0.252750 0.988232 Mg\n0.500000 0.247250 0.488233 Mg\n0.500000 0.500000 0.179280 Ti\n0.000000 0.000000 0.679279 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.3974723368247846,
"density_atomic": 0.04781479321605677,
"volume": 167.31223669317274,
"volume_molar": 12.59472300295904,
"formula_full": "Mg6 Ti2",
"formula_reduced": "Mg3Ti",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6134733333333334,
"spacegroup": 44
},
{
"id": "jvasp-93166",
"created_at": "2022-09-04T14:35:59.694137Z",
"updated_at": "2022-09-04T14:35:59.694172Z",
"structure_string": "Li1 Mg6 Si1\n1.0\n6.211454 0.006425 0.000000\n-3.100162 5.369638 0.000000\n0.000000 0.000000 4.968942\nLi Mg Si\n1 6 1\ndirect\n0.166104 0.333052 0.250000 Li\n0.669486 0.332618 0.250000 Mg\n0.669486 0.836867 0.250000 Mg\n0.326812 0.162498 0.750000 Mg\n0.326812 0.664316 0.750000 Mg\n0.836294 0.168148 0.750000 Mg\n0.836674 0.668338 0.750000 Mg\n0.168335 0.834167 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.811013665707993,
"density_atomic": 0.04824235442771949,
"volume": 165.82938571097793,
"volume_molar": 12.48309878619802,
"formula_full": "Li1 Mg6 Si1",
"formula_reduced": "LiMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00051375,
"spacegroup": 38
},
{
"id": "jvasp-75006",
"created_at": "2022-09-04T14:35:59.693754Z",
"updated_at": "2022-09-04T14:35:59.693769Z",
"structure_string": "K1 Ca2 Be1\n1.0\n-2.488691 2.488691 5.382801\n2.488691 -2.488691 5.382801\n2.488691 2.488691 -5.382801\nK Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-K",
"density": 1.5971731866262295,
"density_atomic": 0.029995059040552212,
"volume": 133.35529677044968,
"volume_molar": 20.077109206080532,
"formula_full": "K1 Ca2 Be1",
"formula_reduced": "KCa2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1825433674999998,
"spacegroup": 119
},
{
"id": "jvasp-85405",
"created_at": "2022-09-04T14:35:59.692269Z",
"updated_at": "2022-09-04T14:35:59.692291Z",
"structure_string": "Eu6 As8\n1.0\n5.205034 -0.000408 1.738895\n2.602903 7.498620 0.870350\n0.005105 -0.000746 8.661578\nEu As\n6 8\ndirect\n0.455452 0.496673 0.166813 Eu\n0.117810 0.505564 0.832173 Eu\n0.372409 0.996427 0.332166 Eu\n0.701145 0.005333 0.666824 Eu\n0.000728 0.000975 -0.000478 Eu\n0.750695 0.501012 0.499511 Eu\n0.587963 0.781253 0.958026 As\n0.743359 0.309802 0.818126 As\n0.118273 0.720713 0.458062 As\n0.871575 0.692246 0.181265 As\n0.802152 0.192194 0.318121 As\n0.295068 0.279985 0.542187 As\n0.324120 0.221975 0.042162 As\n0.312813 0.809741 0.681259 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Eu",
"As"
],
"chemical_system": "As-Eu",
"density": 7.423870560047251,
"density_atomic": 0.04141901814352051,
"volume": 338.0089781821669,
"volume_molar": 14.53955460540556,
"formula_full": "Eu6 As8",
"formula_reduced": "Eu3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.086932428571428,
"spacegroup": 43
},
{
"id": "jvasp-86662",
"created_at": "2022-09-04T14:35:59.691762Z",
"updated_at": "2022-09-04T14:35:59.691795Z",
"structure_string": "Y3 Ni13 B2\n1.0\n4.946568 -0.000000 0.000000\n-2.473284 4.283852 0.000000\n0.000000 0.000000 10.933870\nY Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.328793 Y\n0.000000 0.000000 0.671207 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.866334 Ni\n0.500000 0.500000 0.500000 Ni\n0.666668 0.333333 0.681035 Ni\n0.500000 0.500000 0.133666 Ni\n0.666668 0.333333 0.318965 Ni\n0.000000 0.500000 0.133666 Ni\n0.333333 0.666667 0.681035 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.866334 Ni\n0.500000 0.500000 0.866334 Ni\n0.333333 0.666667 0.318965 Ni\n0.500000 0.000000 0.133666 Ni\n0.333333 0.666667 0.000000 B\n0.666668 0.333333 0.000000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Ni",
"B"
],
"chemical_system": "B-Ni-Y",
"density": 7.535040963685305,
"density_atomic": 0.07768911196297967,
"volume": 231.69269856730168,
"volume_molar": 7.751589132425227,
"formula_full": "Y3 Ni13 B2",
"formula_reduced": "Y3Ni13B2",
"formula_anonymous": "A2B3C13",
"energy_above_hull": 2.1508929287037035,
"spacegroup": 191
},
{
"id": "jvasp-52552",
"created_at": "2022-09-04T14:35:59.687027Z",
"updated_at": "2022-09-04T14:35:59.687055Z",
"structure_string": "Sr6 Hf4 O14\n1.0\n5.737327 0.000000 0.000000\n0.000000 5.737124 0.000000\n-2.868664 0.000000 10.682687\nSr Hf O\n6 4 14\ndirect\n0.061467 0.250000 0.622935 Sr\n0.438534 0.250000 0.377066 Sr\n0.561467 0.749999 0.622935 Sr\n0.250000 0.250000 -0.000000 Sr\n0.750000 0.749999 -0.000000 Sr\n0.938534 0.749999 0.377066 Sr\n0.151807 0.749999 0.803614 Hf\n0.651807 0.250000 0.803614 Hf\n0.348194 0.749999 0.196387 Hf\n0.848194 0.250000 0.196387 Hf\n0.647223 0.949486 0.193373 O\n0.953851 0.449486 0.806627 O\n0.852779 0.949486 0.806627 O\n0.546151 0.449486 0.193373 O\n0.446154 0.749999 0.392307 O\n0.553847 0.250000 0.607693 O\n0.046151 0.550513 0.193373 O\n0.453850 0.550513 0.806627 O\n0.147223 0.050514 0.193373 O\n0.352778 0.050514 0.806627 O\n0.750000 0.250000 -0.000000 O\n0.053847 0.749999 0.607693 O\n0.250000 0.749999 -0.000000 O\n0.946155 0.250000 0.392307 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 6.912074331628881,
"density_atomic": 0.06825380980220468,
"volume": 351.6287232837334,
"volume_molar": 8.823156945307217,
"formula_full": "Sr6 Hf4 O14",
"formula_reduced": "Sr3Hf2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.3624891191666664,
"spacegroup": 68
},
{
"id": "jvasp-20068",
"created_at": "2022-09-04T14:35:59.682428Z",
"updated_at": "2022-09-04T14:35:59.682453Z",
"structure_string": "B4 Ru2\n1.0\n2.879999 0.000000 0.000000\n0.000000 4.063560 0.000000\n0.000000 0.000000 4.666987\nB Ru\n4 2\ndirect\n0.000000 0.363631 0.305541 B\n0.500000 0.636369 0.194460 B\n0.000000 0.363631 0.694460 B\n0.500000 0.636369 0.805541 B\n0.000000 0.847997 0.500000 Ru\n0.500000 0.152003 0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Ru"
],
"chemical_system": "B-Ru",
"density": 7.46035913123192,
"density_atomic": 0.10985394196187818,
"volume": 54.6179763133319,
"volume_molar": 5.481952356420511,
"formula_full": "B4 Ru2",
"formula_reduced": "B2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 3.897808555555556,
"spacegroup": 59
},
{
"id": "jvasp-92252",
"created_at": "2022-09-04T14:35:59.678227Z",
"updated_at": "2022-09-04T14:35:59.678256Z",
"structure_string": "Li3 Mn1 O2 F2\n1.0\n-0.000003 1.988879 1.988880\n-4.397091 0.029130 -4.006885\n-4.397091 -4.006883 0.029130\nLi Mn O F\n3 1 2 2\ndirect\n0.000132 0.500598 0.000537 Li\n0.000149 0.500564 0.500564 Li\n0.000131 0.000537 0.500598 Li\n0.000274 0.000639 0.000644 Mn\n0.500338 0.772490 0.228847 O\n0.500337 0.228848 0.772489 O\n0.525904 0.263463 0.263463 F\n0.474674 0.737846 0.737846 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.428629825543681,
"density_atomic": 0.11332692529457322,
"volume": 70.59222668580675,
"volume_molar": 5.313954070796956,
"formula_full": "Li3 Mn1 O2 F2",
"formula_reduced": "Li3Mn(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.2606481007974135,
"spacegroup": 65
},
{
"id": "jvasp-71719",
"created_at": "2022-09-04T14:35:59.672723Z",
"updated_at": "2022-09-04T14:35:59.672746Z",
"structure_string": "K1 Be1 Nb1\n1.0\n1.462384 -2.532924 -0.000000\n1.462384 2.532924 0.000000\n0.000000 -0.000000 8.264226\nK Be Nb\n1 1 1\ndirect\n0.666665 0.333332 0.683141 K\n0.000000 0.000000 0.034004 Be\n0.333332 0.666665 0.282855 Nb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Be",
"Nb"
],
"chemical_system": "Be-K-Nb",
"density": 3.8247616574266363,
"density_atomic": 0.049001061481074304,
"volume": 61.22316352593078,
"volume_molar": 12.289816950855103,
"formula_full": "K1 Be1 Nb1",
"formula_reduced": "KBeNb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.216117833333333,
"spacegroup": 156
},
{
"id": "jvasp-88017",
"created_at": "2022-09-04T14:35:59.670975Z",
"updated_at": "2022-09-04T14:35:59.671004Z",
"structure_string": "Li2 Mn2 P2\n1.0\n3.809382 -0.000000 0.000000\n-0.000000 3.809382 0.000000\n0.000000 -0.000000 5.752220\nLi Mn P\n2 2 2\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.000000 Mn\n0.750000 0.250000 0.000000 Mn\n0.250000 0.250000 0.781522 P\n0.750000 0.750000 0.218478 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Mn",
"P"
],
"chemical_system": "Li-Mn-P",
"density": 3.6942781556697777,
"density_atomic": 0.07187977548505832,
"volume": 83.47271481457567,
"volume_molar": 8.3780739705452,
"formula_full": "Li2 Mn2 P2",
"formula_reduced": "LiMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1650509137931038,
"spacegroup": 129
},
{
"id": "jvasp-96805",
"created_at": "2022-09-04T14:35:59.668193Z",
"updated_at": "2022-09-04T14:35:59.668225Z",
"structure_string": "La8 S6 N2 Cl6\n1.0\n9.432919 0.000000 0.000000\n-4.716459 8.169147 0.000000\n0.000000 0.000000 7.000642\nLa S N Cl\n8 6 2 6\ndirect\n0.200473 0.400946 0.250753 La\n0.200473 0.799527 0.250753 La\n0.333333 0.666667 0.710576 La\n0.799527 0.200473 0.750753 La\n0.400946 0.200473 0.750753 La\n0.799527 0.599054 0.750753 La\n0.599054 0.799527 0.250753 La\n0.666667 0.333333 0.210577 La\n0.061371 0.530686 0.970309 S\n0.938629 0.469314 0.470309 S\n0.530686 0.469314 0.470309 S\n0.530686 0.061371 0.470309 S\n0.469314 0.938629 0.970309 S\n0.469314 0.530686 0.970309 S\n0.333333 0.666667 0.366189 N\n0.666667 0.333333 0.866189 N\n0.869496 0.738993 0.143248 Cl\n0.130504 0.869497 0.643248 Cl\n0.869496 0.130504 0.143248 Cl\n0.130504 0.261008 0.643248 Cl\n0.261007 0.130504 0.143248 Cl\n0.738993 0.869497 0.643248 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
"La",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-La-N-S",
"density": 4.7537726496458195,
"density_atomic": 0.04078138728771675,
"volume": 539.461785465703,
"volume_molar": 14.766885485069935,
"formula_full": "La8 S6 N2 Cl6",
"formula_reduced": "La4S3NCl3",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.837507768409091,
"spacegroup": 186
},
{
"id": "jvasp-91630",
"created_at": "2022-09-04T14:35:59.663499Z",
"updated_at": "2022-09-04T14:35:59.663525Z",
"structure_string": "Sr2 Zn2 Sb2 F2\n1.0\n4.325945 -0.000000 -0.000000\n-0.000000 4.325945 -0.000000\n-0.000000 -0.000000 9.432895\nSr Zn Sb F\n2 2 2 2\ndirect\n0.750001 0.750001 0.861035 Sr\n0.250000 0.250000 0.138965 Sr\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.750001 0.750001 0.318697 Sb\n0.250000 0.250000 0.681302 Sb\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Sb",
"F"
],
"chemical_system": "F-Sb-Sr-Zn",
"density": 5.527201230392381,
"density_atomic": 0.04531927981556276,
"volume": 176.52531180013983,
"volume_molar": 13.288253442041638,
"formula_full": "Sr2 Zn2 Sb2 F2",
"formula_reduced": "SrZnSbF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
}
]
}