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=953",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=951",
"results": [
{
"id": "jvasp-16387",
"created_at": "2022-09-04T14:38:18.220335Z",
"updated_at": "2022-09-04T14:38:18.220360Z",
"structure_string": "K1 Yb1 Se2\n1.0\n4.035418 -0.045104 6.826954\n1.832395 3.595687 6.826954\n-0.074540 -0.045104 7.930091\nYb K Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500002 0.499998 K\n0.263911 0.263911 0.263909 Se\n0.736090 0.736092 0.736087 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"K",
"Se"
],
"chemical_system": "K-Se-Yb",
"density": 5.196457693929464,
"density_atomic": 0.03382580495780551,
"volume": 118.25291386234922,
"volume_molar": 17.803392313980556,
"formula_full": "K1 Yb1 Se2",
"formula_reduced": "KYbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-26741",
"created_at": "2022-09-04T14:38:18.217646Z",
"updated_at": "2022-09-04T14:38:18.217665Z",
"structure_string": "K8 P4 O16\n1.0\n0.000000 5.902257 0.022585\n10.201211 0.000000 0.000000\n0.000000 -1.200981 -7.256126\nK P O\n8 4 16\ndirect\n0.747689 0.915391 0.172858 K\n0.252312 0.415391 0.327143 K\n0.252312 0.084609 0.827143 K\n0.747689 0.584609 0.672858 K\n0.238663 0.769892 0.471988 K\n0.761337 0.269892 0.028012 K\n0.761337 0.230108 0.528013 K\n0.238664 0.730108 0.971989 K\n0.273632 0.423609 0.778064 P\n0.726369 0.576391 0.221937 P\n0.273632 0.076391 0.278064 P\n0.726369 0.923609 0.721937 P\n0.223574 0.946874 0.175678 O\n0.548154 0.659197 0.296866 O\n0.388187 0.461940 -0.000926 O\n0.611814 0.961940 0.500927 O\n0.936781 0.650300 0.182119 O\n0.548154 0.840803 0.796867 O\n0.063220 0.349700 0.817882 O\n0.451847 0.340803 0.703135 O\n0.223574 0.553126 0.675679 O\n0.388187 0.038060 0.499074 O\n0.611814 0.538060 0.000927 O\n0.776427 0.053126 0.824323 O\n0.936781 0.849700 0.682120 O\n0.451847 0.159197 0.203135 O\n0.063220 0.150300 0.317882 O\n0.776427 0.446874 0.324323 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.63437207186656,
"density_atomic": 0.06412959693741153,
"volume": 436.61587374901353,
"volume_molar": 9.390579463453387,
"formula_full": "K8 P4 O16",
"formula_reduced": "K2PO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4389293571428567,
"spacegroup": 14
},
{
"id": "jvasp-109413",
"created_at": "2022-09-04T14:38:18.213521Z",
"updated_at": "2022-09-04T14:38:18.213549Z",
"structure_string": "Ca1 La1 Co2 O6\n1.0\n4.634904 -0.000000 2.675963\n1.544968 4.369829 2.675963\n-0.000000 -0.000000 5.351926\nCa La Co O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"La",
"Co",
"O"
],
"chemical_system": "Ca-Co-La-O",
"density": 6.0180589099104065,
"density_atomic": 0.09225389563331199,
"volume": 108.39650652529298,
"volume_molar": 6.527790201875728,
"formula_full": "Ca1 La1 Co2 O6",
"formula_reduced": "CaLa(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.471211822000001,
"spacegroup": 225
},
{
"id": "jvasp-110234",
"created_at": "2022-09-04T14:38:18.212206Z",
"updated_at": "2022-09-04T14:38:18.212236Z",
"structure_string": "Hf2 Al3 Zn1\n1.0\n4.550055 0.002058 2.524469\n1.487302 4.300109 2.524469\n0.002887 0.002058 5.203454\nHf Al Zn\n2 3 1\ndirect\n0.624196 0.624196 0.624194 Hf\n0.375805 0.375805 0.375804 Hf\n-0.000000 0.500000 0.000000 Al\n0.500000 0.000000 -0.000000 Al\n0.000000 0.000000 0.499999 Al\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Zn"
],
"chemical_system": "Al-Hf-Zn",
"density": 8.214605839177707,
"density_atomic": 0.05897024690860119,
"volume": 101.74622482587675,
"volume_molar": 10.21216812833394,
"formula_full": "Hf2 Al3 Zn1",
"formula_reduced": "Hf2Al3Zn",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.601072466666667,
"spacegroup": 166
},
{
"id": "jvasp-108594",
"created_at": "2022-09-04T14:38:18.209825Z",
"updated_at": "2022-09-04T14:38:18.209846Z",
"structure_string": "Rb2 Hg1 As1 Br6\n1.0\n6.812049 -0.000000 3.932939\n2.270683 6.422462 3.932939\n-0.000000 -0.000000 7.865877\nRb Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 As\n0.759870 0.240130 0.240130 Br\n0.240130 0.240130 0.759870 Br\n0.240130 0.759870 0.759871 Br\n0.240130 0.759870 0.240131 Br\n0.759870 0.240130 0.759870 Br\n0.759870 0.759870 0.240131 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Hg-Rb",
"density": 4.46758902207164,
"density_atomic": 0.029058523429656053,
"volume": 344.1331086284436,
"volume_molar": 20.72418020336858,
"formula_full": "Rb2 Hg1 As1 Br6",
"formula_reduced": "Rb2HgAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109859",
"created_at": "2022-09-04T14:38:18.208318Z",
"updated_at": "2022-09-04T14:38:18.208338Z",
"structure_string": "K2 Ga1 Au1 F6\n1.0\n5.306576 -0.000000 3.063753\n1.768859 5.003088 3.063753\n-0.000000 -0.000000 6.127506\nK Ga Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Au\n0.220914 0.220914 0.779086 F\n0.220915 0.779086 0.779085 F\n0.779086 0.779086 0.220913 F\n0.220915 0.779086 0.220914 F\n0.779086 0.220914 0.779085 F\n0.779086 0.220914 0.220914 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Au",
"F"
],
"chemical_system": "Au-F-Ga-K",
"density": 4.6839119516143235,
"density_atomic": 0.0614700723792898,
"volume": 162.68079104083097,
"volume_molar": 9.796866225960311,
"formula_full": "K2 Ga1 Au1 F6",
"formula_reduced": "K2GaAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106347",
"created_at": "2022-09-04T14:38:18.202531Z",
"updated_at": "2022-09-04T14:38:18.202555Z",
"structure_string": "Na1 La1 Ru2 O6\n1.0\n4.794105 0.000000 2.767878\n1.598035 4.519926 2.767878\n0.000000 0.000000 5.535756\nNa La Ru O\n1 1 2 6\ndirect\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Ru\n0.750001 0.750001 0.750000 Ru\n0.500001 0.500000 -0.000000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"La",
"Ru",
"O"
],
"chemical_system": "La-Na-O-Ru",
"density": 6.368263040821268,
"density_atomic": 0.08336508441420964,
"volume": 119.95429585740925,
"volume_molar": 7.223816544200034,
"formula_full": "Na1 La1 Ru2 O6",
"formula_reduced": "NaLa(RuO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.7687716,
"spacegroup": 225
},
{
"id": "jvasp-55214",
"created_at": "2022-09-04T14:38:18.202156Z",
"updated_at": "2022-09-04T14:38:18.202179Z",
"structure_string": "Sm8 I16\n1.0\n7.323935 -0.000000 0.000000\n0.000000 8.246333 0.000000\n0.000000 0.000000 13.984730\nSm I\n8 16\ndirect\n0.672595 0.550084 0.094830 Sm\n0.172595 0.949915 0.094830 Sm\n0.672595 0.050084 0.405170 Sm\n0.827404 0.550084 0.594830 Sm\n0.827404 0.050084 0.905170 Sm\n0.327405 0.449916 0.905170 Sm\n0.327405 0.949915 0.594830 Sm\n0.172595 0.449916 0.405170 Sm\n0.482700 0.795115 0.952696 I\n0.295392 0.114901 0.296405 I\n0.517300 0.704884 0.452696 I\n0.704608 0.385099 0.796405 I\n0.517300 0.204884 0.047304 I\n0.204608 0.114901 0.796405 I\n0.017300 0.795115 0.452696 I\n0.795391 0.885099 0.203595 I\n0.982699 0.704884 0.952696 I\n0.295392 0.614901 0.203595 I\n0.017300 0.295116 0.047304 I\n0.795391 0.385099 0.296405 I\n0.704608 0.885099 0.703595 I\n0.204608 0.614901 0.703595 I\n0.982699 0.204884 0.547304 I\n0.482700 0.295116 0.547304 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sm",
"I"
],
"chemical_system": "I-Sm",
"density": 6.356859083202801,
"density_atomic": 0.02841527125050324,
"volume": 844.616255407907,
"volume_molar": 21.193324909377196,
"formula_full": "Sm8 I16",
"formula_reduced": "SmI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.039139875,
"spacegroup": 61
},
{
"id": "jvasp-46716",
"created_at": "2022-09-04T14:38:18.197426Z",
"updated_at": "2022-09-04T14:38:18.197446Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.989451930365447,
"density_atomic": 0.07629346920902949,
"volume": 170.39466332802996,
"volume_molar": 7.893389594724664,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091887960212202,
"spacegroup": 5
},
{
"id": "jvasp-110292",
"created_at": "2022-09-04T14:38:18.191053Z",
"updated_at": "2022-09-04T14:38:18.191072Z",
"structure_string": "Ag1 Bi1 Se1 S1\n1.0\n4.038335 0.000000 0.000000\n0.000000 4.038335 0.000000\n0.000000 0.000000 5.855637\nAg Bi Se S\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.500000 Bi\n0.499999 0.499999 -0.000000 Se\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Se",
"S"
],
"chemical_system": "Ag-Bi-S-Se",
"density": 7.440219638944848,
"density_atomic": 0.04188718347336808,
"volume": 95.49460403665489,
"volume_molar": 14.37704868323,
"formula_full": "Ag1 Bi1 Se1 S1",
"formula_reduced": "AgBiSeS",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.9222387316666668,
"spacegroup": 123
},
{
"id": "jvasp-44510",
"created_at": "2022-09-04T14:38:18.187063Z",
"updated_at": "2022-09-04T14:38:18.187085Z",
"structure_string": "Cr6 O8\n1.0\n2.806324 -2.943075 -4.248691\n3.074893 2.906082 4.228644\n2.780100 -2.967858 4.248691\nCr O\n6 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.284087 0.034089 0.215918 O\n0.743008 0.000028 0.242966 O\n0.284082 0.534089 0.215913 O\n0.742966 0.499972 0.243008 O\n0.257034 0.500027 0.756991 O\n0.715918 0.465910 0.784087 O\n0.256991 -0.000028 0.757034 O\n0.715913 0.965910 0.784081 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.976152813018016,
"density_atomic": 0.09535595183843287,
"volume": 146.81831317379132,
"volume_molar": 6.315432486273813,
"formula_full": "Cr6 O8",
"formula_reduced": "Cr3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.655012314285714,
"spacegroup": 65
},
{
"id": "jvasp-53344",
"created_at": "2022-09-04T14:38:18.186970Z",
"updated_at": "2022-09-04T14:38:18.186990Z",
"structure_string": "Mo3 N2\n1.0\n4.148321 0.000000 0.000000\n0.000000 4.148321 0.000000\n0.000000 0.000000 4.070941\nMo N\n3 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 7.486307034575382,
"density_atomic": 0.07137243044967863,
"volume": 70.0550614361559,
"volume_molar": 8.43762881837957,
"formula_full": "Mo3 N2",
"formula_reduced": "Mo3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 6.044376839999999,
"spacegroup": 123
}
]
}