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=nelements&page=518",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=516",
"results": [
{
"id": "jvasp-22695",
"created_at": "2022-09-04T14:37:02.528041Z",
"updated_at": "2022-09-04T14:37:02.528057Z",
"structure_string": "Co2 O2\n1.0\n2.671790 -0.000000 1.542559\n0.890597 2.518988 1.542559\n-0.892692 -2.520470 4.631306\nCo O\n2 2\ndirect\n0.000031 -0.000016 -0.000047 Co\n0.000105 0.499948 0.499843 Co\n0.249965 0.375018 0.125052 O\n0.249900 0.875051 0.625152 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.9873782178239106,
"density_atomic": 0.09623805080700595,
"volume": 41.56360157399205,
"volume_molar": 6.257546479278442,
"formula_full": "Co2 O2",
"formula_reduced": "CoO",
"formula_anonymous": "AB",
"energy_above_hull": 1.5395672,
"spacegroup": 216
},
{
"id": "jvasp-36226",
"created_at": "2022-09-04T14:36:51.398805Z",
"updated_at": "2022-09-04T14:36:51.398827Z",
"structure_string": "Ti2 In1\n1.0\n3.236139 3.236139 -0.000000\n3.236139 -0.000000 -3.236139\n-0.000000 3.236139 -3.236139\nTi In\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 In\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 5.158185672918184,
"density_atomic": 0.0442598315844971,
"volume": 67.78155028160592,
"volume_molar": 13.606334557561617,
"formula_full": "Ti2 In1",
"formula_reduced": "Ti2In",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2912722122222218,
"spacegroup": 216
},
{
"id": "jvasp-30569",
"created_at": "2022-09-04T14:37:01.778293Z",
"updated_at": "2022-09-04T14:37:01.778317Z",
"structure_string": "Sn1 O2\n1.0\n2.808697 -0.192317 3.689465\n1.106727 2.588613 3.689465\n-0.314236 -0.192317 4.626248\nSn O\n1 2\ndirect\n0.500003 0.499997 0.500000 Sn\n0.756119 0.756112 0.756115 O\n0.243886 0.243882 0.243884 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.40830197139262,
"density_atomic": 0.07682039108064356,
"volume": 39.05213131303506,
"volume_molar": 7.839247724836693,
"formula_full": "Sn1 O2",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0149562333333335,
"spacegroup": 166
},
{
"id": "jvasp-4231",
"created_at": "2022-09-04T14:37:03.410747Z",
"updated_at": "2022-09-04T14:37:03.410759Z",
"structure_string": "U2 Se6\n1.0\n0.000000 5.497212 0.019480\n3.972879 0.000000 0.000000\n0.000000 -1.313054 -9.382262\nU Se\n2 6\ndirect\n0.290759 0.750000 0.166254 U\n0.709241 0.250000 0.833745 U\n0.913950 0.750000 0.666091 Se\n0.086051 0.250000 0.333908 Se\n0.236026 0.250000 0.943771 Se\n0.763974 0.750000 0.056229 Se\n0.578859 0.250000 0.331906 Se\n0.421141 0.750000 0.668094 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Se"
],
"chemical_system": "Se-U",
"density": 7.701041503366073,
"density_atomic": 0.03906160105347303,
"volume": 204.8047131772318,
"volume_molar": 15.417035138308961,
"formula_full": "U2 Se6",
"formula_reduced": "USe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.289261525000001,
"spacegroup": 11
},
{
"id": "jvasp-15067",
"created_at": "2022-09-04T14:36:46.639111Z",
"updated_at": "2022-09-04T14:36:46.639132Z",
"structure_string": "Ho1 Fe5\n1.0\n2.474575 -4.286090 -0.000000\n2.474575 4.286090 0.000000\n-0.000000 -0.000000 3.923672\nHo Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333332 0.666666 0.000000 Fe\n0.666666 0.333332 0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.499999 0.499999 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Fe"
],
"chemical_system": "Fe-Ho",
"density": 8.861339333646411,
"density_atomic": 0.072088610094034,
"volume": 83.23090141665189,
"volume_molar": 8.353803398546018,
"formula_full": "Ho1 Fe5",
"formula_reduced": "HoFe5",
"formula_anonymous": "AB5",
"energy_above_hull": 3.4172438444444446,
"spacegroup": 191
},
{
"id": "jvasp-22575",
"created_at": "2022-09-04T14:37:02.506626Z",
"updated_at": "2022-09-04T14:37:02.506648Z",
"structure_string": "Si4 O8\n1.0\n5.067789 -0.052535 -0.000000\n-2.579253 4.362648 -0.000000\n0.000000 -0.000000 8.330201\nSi O\n4 8\ndirect\n0.340426 0.668654 0.062796 Si\n0.668654 0.340425 0.562796 Si\n0.340426 0.668654 0.437204 Si\n0.668654 0.340425 0.937204 Si\n0.611916 0.611916 0.000000 O\n0.460057 0.033576 0.454433 O\n0.567796 0.256948 0.750000 O\n0.033577 0.460057 0.545567 O\n0.256948 0.567796 0.250000 O\n0.033577 0.460057 0.954433 O\n0.611916 0.611916 0.500000 O\n0.460057 0.033576 0.045567 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.1802977223941418,
"density_atomic": 0.06555818968101015,
"volume": 183.0434924818549,
"volume_molar": 9.1859473077311,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.392751866666667,
"spacegroup": 40
},
{
"id": "jvasp-18647",
"created_at": "2022-09-04T14:37:01.156800Z",
"updated_at": "2022-09-04T14:37:01.156814Z",
"structure_string": "Cd1 Hg2\n1.0\n3.652836 0.000000 -1.528379\n-0.639488 3.596424 -1.528379\n0.193026 0.230376 5.590674\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.336071 0.336070 0.672141 Hg\n0.663931 0.663930 0.327859 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.218916978470654,
"density_atomic": 0.03946441657415265,
"volume": 76.01784747946482,
"volume_molar": 15.259672593118278,
"formula_full": "Cd1 Hg2",
"formula_reduced": "CdHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2164583333333332,
"spacegroup": 139
},
{
"id": "jvasp-12405",
"created_at": "2022-09-04T14:37:05.320316Z",
"updated_at": "2022-09-04T14:37:05.320337Z",
"structure_string": "Tb7 O12\n1.0\n6.534622 -0.015295 -1.087743\n-1.281306 6.407790 -1.087743\n-0.012569 -0.015294 6.624523\nTb O\n7 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.301380 0.138605 0.608305 Tb\n0.608305 0.301381 0.138604 Tb\n0.861395 0.391696 0.698620 Tb\n0.698619 0.861397 0.391695 Tb\n0.391694 0.698621 0.861396 Tb\n0.138604 0.608305 0.301380 Tb\n0.062936 0.935426 0.326041 O\n0.935426 0.326041 0.062937 O\n0.179063 0.436028 0.578467 O\n0.064573 0.673960 0.937064 O\n0.326041 0.062937 0.935426 O\n0.421532 0.820937 0.563972 O\n0.563972 0.421534 0.820937 O\n0.820936 0.563973 0.421533 O\n0.578467 0.179064 0.436028 O\n0.436027 0.578468 0.179064 O\n0.937064 0.064575 0.673960 O\n0.673959 0.937064 0.064574 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 7.81888084310007,
"density_atomic": 0.06858275378397283,
"volume": 277.0375779871372,
"volume_molar": 8.78083837077904,
"formula_full": "Tb7 O12",
"formula_reduced": "Tb7O12",
"formula_anonymous": "A7B12",
"energy_above_hull": 2.403853726315789,
"spacegroup": 148
},
{
"id": "jvasp-80504",
"created_at": "2022-09-04T14:37:03.598345Z",
"updated_at": "2022-09-04T14:37:03.598369Z",
"structure_string": "Mg3 Zn1\n1.0\n4.315775 0.000000 0.000000\n0.000000 4.315775 0.000000\n-0.000000 0.000000 4.315775\nMg Zn\n3 1\ndirect\n0.499999 0.499999 0.000000 Mg\n0.499999 0.000000 0.499999 Mg\n0.000000 0.499999 0.499999 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8573948116087755,
"density_atomic": 0.049760370632278755,
"volume": 80.38525334868113,
"volume_molar": 12.102282767350479,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.151212794117647,
"spacegroup": 221
},
{
"id": "jvasp-107646",
"created_at": "2022-09-04T14:36:53.249426Z",
"updated_at": "2022-09-04T14:36:53.249460Z",
"structure_string": "Ba6 Yb2\n1.0\n8.470722 0.000000 0.000000\n-4.235361 7.335861 0.000000\n-0.000000 -0.000000 6.948822\nYb Ba\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.168411 0.336821 0.250000 Ba\n0.663179 0.831589 0.250000 Ba\n0.168411 0.831589 0.250000 Ba\n0.831589 0.663179 0.750000 Ba\n0.336821 0.168411 0.750000 Ba\n0.831589 0.168411 0.750000 Ba\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 4.499537124045853,
"density_atomic": 0.018527092822455123,
"volume": 431.80007120727953,
"volume_molar": 32.50451011235326,
"formula_full": "Ba6 Yb2",
"formula_reduced": "Ba3Yb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-31981",
"created_at": "2022-09-04T14:36:46.541446Z",
"updated_at": "2022-09-04T14:36:46.541471Z",
"structure_string": "In6 I24\n1.0\n11.630482 -0.000000 6.714861\n3.876827 10.965322 6.714861\n0.000000 0.000000 13.429723\nIn I\n6 24\ndirect\n0.250000 0.250000 0.750000 In\n0.250000 0.750000 0.250000 In\n0.750000 0.250000 0.250000 In\n0.250000 0.750000 0.750000 In\n0.750000 0.750000 0.250000 In\n0.750000 0.250000 0.750000 In\n0.298251 0.701749 0.049690 I\n0.049691 0.950309 0.298251 I\n0.298251 0.049690 0.950309 I\n0.701749 0.049690 0.298251 I\n0.298251 0.950309 0.701749 I\n0.950310 0.298251 0.049690 I\n0.049690 0.298251 0.701749 I\n0.701749 0.950309 0.049690 I\n0.701749 0.298251 0.950309 I\n0.049691 0.701749 0.950309 I\n0.450310 0.798251 0.201749 I\n0.201749 0.549690 0.450310 I\n0.201749 0.450310 0.798251 I\n0.950310 0.049690 0.701749 I\n0.798251 0.201749 0.450310 I\n0.450310 0.549690 0.798251 I\n0.549690 0.450310 0.201749 I\n0.201749 0.798251 0.549690 I\n0.798251 0.450310 0.549690 I\n0.798251 0.549690 0.201749 I\n0.549690 0.798251 0.450309 I\n0.549690 0.201749 0.798251 I\n0.450310 0.201749 0.549690 I\n0.950310 0.701749 0.298251 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 3.6208356224881024,
"density_atomic": 0.01751600646397584,
"volume": 1712.7191669915896,
"volume_molar": 34.380786353244325,
"formula_full": "In6 I24",
"formula_reduced": "InI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 226
},
{
"id": "jvasp-99600",
"created_at": "2022-09-04T14:36:53.274253Z",
"updated_at": "2022-09-04T14:36:53.274278Z",
"structure_string": "Mg2 Au4\n1.0\n6.847272 0.243487 0.000000\n-5.936858 3.420255 0.000000\n0.000000 0.000000 4.298916\nMg Au\n2 4\ndirect\n0.595516 0.404485 0.250000 Mg\n0.404485 0.595517 0.750001 Mg\n0.257714 0.742288 0.250000 Au\n0.929180 0.070821 0.250000 Au\n0.742287 0.257714 0.750001 Au\n0.070821 0.929181 0.750001 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Au"
],
"chemical_system": "Au-Mg",
"density": 12.99439101258165,
"density_atomic": 0.05613121665768933,
"volume": 106.89239174326839,
"volume_molar": 10.728683820850401,
"formula_full": "Mg2 Au4",
"formula_reduced": "MgAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1465125233333332,
"spacegroup": 63
}
]
}