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=-spacegroup&page=597",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=595",
"results": [
{
"id": "jvasp-15004",
"created_at": "2022-09-04T14:36:18.049169Z",
"updated_at": "2022-09-04T14:36:18.049191Z",
"structure_string": "Ti1 O1\n1.0\n2.621745 -0.000000 1.513665\n0.873915 2.471805 1.513665\n0.000000 0.000000 3.027329\nTi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499999 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.4057661955995275,
"density_atomic": 0.10194495057432428,
"volume": 19.618431209517084,
"volume_molar": 5.907247711704446,
"formula_full": "Ti1 O1",
"formula_reduced": "TiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.8109859166666666,
"spacegroup": 225
},
{
"id": "jvasp-99805",
"created_at": "2022-09-04T14:36:19.031066Z",
"updated_at": "2022-09-04T14:36:19.031076Z",
"structure_string": "Li1 Ca2 Pb1\n1.0\n4.683890 -0.000000 2.704245\n1.561297 4.416014 2.704245\n0.000000 0.000000 5.408491\nLi Ca Pb\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.750001 0.749999 0.749999 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Pb"
],
"chemical_system": "Ca-Li-Pb",
"density": 4.368392897759151,
"density_atomic": 0.0357558207312763,
"volume": 111.86989749339256,
"volume_molar": 16.842406737799532,
"formula_full": "Li1 Ca2 Pb1",
"formula_reduced": "LiCa2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66187",
"created_at": "2022-09-04T14:36:18.197916Z",
"updated_at": "2022-09-04T14:36:18.197940Z",
"structure_string": "Ba2 Hf1 Ni1\n1.0\n-0.000000 3.953131 3.953131\n3.953131 0.000000 3.953131\n3.953131 3.953131 0.000000\nBa Hf Ni\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ni"
],
"chemical_system": "Ba-Hf-Ni",
"density": 6.8790346873083745,
"density_atomic": 0.03237474650676933,
"volume": 123.55309096130308,
"volume_molar": 18.60135262755127,
"formula_full": "Ba2 Hf1 Ni1",
"formula_reduced": "Ba2HfNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.711594335,
"spacegroup": 225
},
{
"id": "jvasp-42846",
"created_at": "2022-09-04T14:36:18.268690Z",
"updated_at": "2022-09-04T14:36:18.268706Z",
"structure_string": "Pr1 Y1 Mg2\n1.0\n-0.000000 3.834946 3.834946\n3.834946 -0.000000 3.834946\n3.834946 3.834946 -0.000000\nPr Y Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Y",
"Mg"
],
"chemical_system": "Mg-Pr-Y",
"density": 4.0987103775408,
"density_atomic": 0.03546110272524174,
"volume": 112.79965067619683,
"volume_molar": 16.982384351272163,
"formula_full": "Pr1 Y1 Mg2",
"formula_reduced": "PrYMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.69652335,
"spacegroup": 225
},
{
"id": "jvasp-99714",
"created_at": "2022-09-04T14:36:18.415366Z",
"updated_at": "2022-09-04T14:36:18.415392Z",
"structure_string": "Rb2 Ta1 Ag1 Br6\n1.0\n6.642942 -0.000000 3.835304\n2.214314 6.263026 3.835304\n0.000000 0.000000 7.670609\nRb Ta Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.741994 0.258005 0.258005 Br\n0.258005 0.258005 0.741995 Br\n0.258005 0.741995 0.741994 Br\n0.258005 0.741995 0.258005 Br\n0.741994 0.258005 0.741994 Br\n0.741994 0.741995 0.258005 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Ta",
"density": 4.886764548069728,
"density_atomic": 0.03133469552749029,
"volume": 319.13506200265726,
"volume_molar": 19.218762648313295,
"formula_full": "Rb2 Ta1 Ag1 Br6",
"formula_reduced": "Rb2TaAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3817521090000006,
"spacegroup": 225
},
{
"id": "jvasp-15192",
"created_at": "2022-09-04T14:36:18.324103Z",
"updated_at": "2022-09-04T14:36:18.324113Z",
"structure_string": "Ta1 Al1 Co2\n1.0\n3.642054 -0.000000 2.102741\n1.214018 3.433762 2.102741\n-0.000000 -0.000000 4.205482\nTa Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.749999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ta",
"density": 10.286372346508783,
"density_atomic": 0.07605497746339587,
"volume": 52.59353343343163,
"volume_molar": 7.918141535047284,
"formula_full": "Ta1 Al1 Co2",
"formula_reduced": "TaAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6205034499999993,
"spacegroup": 225
},
{
"id": "jvasp-69040",
"created_at": "2022-09-04T14:36:18.577842Z",
"updated_at": "2022-09-04T14:36:18.577864Z",
"structure_string": "Ba2 Mg1 Te1\n1.0\n0.000000 4.252888 4.252888\n4.252888 0.000000 4.252888\n4.252888 4.252888 -0.000000\nBa Mg Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Te"
],
"chemical_system": "Ba-Mg-Te",
"density": 4.604117242731322,
"density_atomic": 0.02600028799847415,
"volume": 153.84444973204694,
"volume_molar": 23.161823285778276,
"formula_full": "Ba2 Mg1 Te1",
"formula_reduced": "Ba2MgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65579",
"created_at": "2022-09-04T14:36:18.398812Z",
"updated_at": "2022-09-04T14:36:18.398847Z",
"structure_string": "Ba2 Sr1 Tc1\n1.0\n-0.000000 4.086985 4.086985\n4.086985 -0.000000 4.086985\n4.086985 4.086985 0.000000\nBa Sr Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Tc"
],
"chemical_system": "Ba-Sr-Tc",
"density": 5.597916467470439,
"density_atomic": 0.029296845740996794,
"volume": 136.5334696903075,
"volume_molar": 20.555594323155635,
"formula_full": "Ba2 Sr1 Tc1",
"formula_reduced": "Ba2SrTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2889874374999997,
"spacegroup": 225
},
{
"id": "jvasp-18409",
"created_at": "2022-09-04T14:36:18.636827Z",
"updated_at": "2022-09-04T14:36:18.636838Z",
"structure_string": "Ni1 H1\n1.0\n2.281136 0.000000 1.317015\n0.760379 2.150676 1.317015\n-0.000000 -0.000000 2.634029\nNi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500001 0.500001 0.499998 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"H"
],
"chemical_system": "H-Ni",
"density": 7.671608950793844,
"density_atomic": 0.15476875049478622,
"volume": 12.922505309412413,
"volume_molar": 3.8910572972564452,
"formula_full": "Ni1 H1",
"formula_reduced": "NiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.2078312,
"spacegroup": 225
},
{
"id": "jvasp-18916",
"created_at": "2022-09-04T14:36:18.459360Z",
"updated_at": "2022-09-04T14:36:18.459374Z",
"structure_string": "Ti1 C1\n1.0\n2.656819 0.000000 1.533915\n0.885607 2.504873 1.533915\n-0.000000 -0.000000 3.067830\nTi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.499998 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 4.870070380241876,
"density_atomic": 0.09796050733765166,
"volume": 20.416390792121685,
"volume_molar": 6.147518958066234,
"formula_full": "Ti1 C1",
"formula_reduced": "TiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.821544166666666,
"spacegroup": 225
},
{
"id": "jvasp-18589",
"created_at": "2022-09-04T14:36:18.520865Z",
"updated_at": "2022-09-04T14:36:18.520885Z",
"structure_string": "Li2 Ag1 Sn1\n1.0\n3.981131 -0.000000 2.298507\n1.327044 3.753446 2.298507\n-0.000000 -0.000000 4.597014\nLi Ag Sn\n2 1 1\ndirect\n0.749999 0.750001 0.750001 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ag\n0.499999 0.500001 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Sn"
],
"chemical_system": "Ag-Li-Sn",
"density": 5.812725770716352,
"density_atomic": 0.0582300984572588,
"volume": 68.6929973669205,
"volume_molar": 10.341972484247615,
"formula_full": "Li2 Ag1 Sn1",
"formula_reduced": "Li2AgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.30023474,
"spacegroup": 225
},
{
"id": "jvasp-105758",
"created_at": "2022-09-04T14:36:18.639235Z",
"updated_at": "2022-09-04T14:36:18.639255Z",
"structure_string": "Er1 Tm1 Cu2\n1.0\n4.175655 0.000000 2.410815\n1.391885 3.936845 2.410815\n-0.000000 -0.000000 4.821631\nEr Tm Cu\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Er\n0.000000 0.000000 0.000000 Tm\n0.750001 0.750001 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tm",
"Cu"
],
"chemical_system": "Cu-Er-Tm",
"density": 9.705784339327437,
"density_atomic": 0.05046532739331985,
"volume": 79.26234122736483,
"volume_molar": 11.933224395958554,
"formula_full": "Er1 Tm1 Cu2",
"formula_reduced": "ErTmCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3817762875,
"spacegroup": 225
}
]
}