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=98",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=96",
"results": [
{
"id": "jvasp-91946",
"created_at": "2022-09-04T14:36:11.774798Z",
"updated_at": "2022-09-04T14:36:11.774828Z",
"structure_string": "Nd2 Al6\n1.0\n0.000000 0.000000 -4.617478\n-3.273715 -5.670189 0.000000\n-3.273715 5.670189 -0.000000\nNd Al\n2 6\ndirect\n0.750000 0.666674 0.333327 Nd\n0.250000 0.333327 0.666674 Nd\n0.750000 0.141516 0.283015 Al\n0.750000 0.141499 0.858502 Al\n0.750000 0.716986 0.858485 Al\n0.250000 0.858485 0.716986 Al\n0.250000 0.858502 0.141499 Al\n0.250000 0.283015 0.141516 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Al"
],
"chemical_system": "Al-Nd",
"density": 4.362630520277251,
"density_atomic": 0.0466677382094408,
"volume": 171.4246352393743,
"volume_molar": 12.904291039289607,
"formula_full": "Nd2 Al6",
"formula_reduced": "NdAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.553457475,
"spacegroup": 194
},
{
"id": "jvasp-79239",
"created_at": "2022-09-04T14:37:11.597844Z",
"updated_at": "2022-09-04T14:37:11.597869Z",
"structure_string": "Mn3 Pt1\n1.0\n3.638587 0.000000 0.000000\n0.000000 3.638587 0.000000\n-0.000000 0.000000 3.638587\nMn Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 12.40596075590308,
"density_atomic": 0.08303509765162041,
"volume": 48.172400745312316,
"volume_molar": 7.252524450884993,
"formula_full": "Mn3 Pt1",
"formula_reduced": "Mn3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8254082810344814,
"spacegroup": 221
},
{
"id": "jvasp-107776",
"created_at": "2022-09-04T14:35:50.042062Z",
"updated_at": "2022-09-04T14:35:50.042091Z",
"structure_string": "Al1 Co4\n1.0\n2.543624 -0.000783 9.696919\n1.249996 2.215295 9.696919\n-0.001341 -0.000783 10.024982\nAl Co\n1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.599002 0.599006 0.599002 Co\n0.200141 0.200142 0.200141 Co\n0.799857 0.799863 0.799857 Co\n0.400996 0.400998 0.400995 Co\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 7.716003651014988,
"density_atomic": 0.08843610115117671,
"volume": 56.537996756016774,
"volume_molar": 6.809595495063127,
"formula_full": "Al1 Co4",
"formula_reduced": "AlCo4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.150645280000001,
"spacegroup": 166
},
{
"id": "jvasp-53963",
"created_at": "2022-09-04T14:36:11.933371Z",
"updated_at": "2022-09-04T14:36:11.933380Z",
"structure_string": "Sc1 O1\n1.0\n2.230824 2.230824 -0.000000\n-0.000000 2.230824 2.230824\n2.230824 -0.000000 2.230824\nSc O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 4.558634111475045,
"density_atomic": 0.09007495951173977,
"volume": 22.20372910341784,
"volume_molar": 6.685699102884542,
"formula_full": "Sc1 O1",
"formula_reduced": "ScO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0846993749999995,
"spacegroup": 225
},
{
"id": "jvasp-99847",
"created_at": "2022-09-04T14:36:11.969294Z",
"updated_at": "2022-09-04T14:36:11.969309Z",
"structure_string": "Tb3 Te1\n1.0\n4.303077 0.006188 -4.461738\n-0.696721 4.246303 -4.461738\n-0.005248 -0.006188 6.198673\nTb Te\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.749999 0.499999 Tb\n0.500001 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 8.87719559679022,
"density_atomic": 0.03538176038338874,
"volume": 113.05259988923405,
"volume_molar": 17.020466745423196,
"formula_full": "Tb3 Te1",
"formula_reduced": "Tb3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1834957416666665,
"spacegroup": 139
},
{
"id": "jvasp-14701",
"created_at": "2022-09-04T14:36:11.993946Z",
"updated_at": "2022-09-04T14:36:11.993973Z",
"structure_string": "U2 P4\n1.0\n3.806077 0.000000 -0.000000\n0.000000 3.806077 0.000000\n0.000000 0.000000 7.797771\nU P\n2 4\ndirect\n0.000000 0.500000 0.281845 U\n0.500000 0.000000 0.718155 U\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.000000 0.500000 0.641102 P\n0.500000 0.000000 0.358898 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"P"
],
"chemical_system": "P-U",
"density": 8.819431956977317,
"density_atomic": 0.05311603312796963,
"volume": 112.9602428243186,
"volume_molar": 11.337708042863776,
"formula_full": "U2 P4",
"formula_reduced": "UP2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2427756666666667,
"spacegroup": 129
},
{
"id": "jvasp-97720",
"created_at": "2022-09-04T14:36:12.400497Z",
"updated_at": "2022-09-04T14:36:12.400512Z",
"structure_string": "Si12 O24\n1.0\n8.711579 0.000000 -3.080009\n-4.355790 7.544449 -3.080009\n-0.000000 -0.000000 9.240025\nSi O\n12 24\ndirect\n0.249243 0.624622 0.124622 Si\n0.624622 0.500000 0.375378 Si\n0.875378 0.500000 0.124622 Si\n0.875378 0.375378 0.750757 Si\n0.624622 0.124622 0.249243 Si\n0.124622 0.875379 0.500000 Si\n0.500000 0.124622 0.875379 Si\n0.500000 0.375378 0.624622 Si\n0.750757 0.875379 0.375378 Si\n0.375378 0.750757 0.875379 Si\n0.124622 0.249243 0.624622 Si\n0.375378 0.624622 0.500000 Si\n0.262337 0.631169 0.631169 O\n0.368831 0.631169 -0.000000 O\n0.500000 0.912451 0.087549 O\n0.631169 0.000000 0.368831 O\n0.000000 0.631169 0.368831 O\n0.912451 0.087549 0.500000 O\n0.368831 0.737663 0.368831 O\n0.500000 0.587549 0.412451 O\n0.824902 0.412451 0.912451 O\n0.737663 0.368831 0.368831 O\n0.631169 0.368831 -0.000000 O\n0.087549 0.500000 0.912451 O\n0.000000 0.368831 0.631169 O\n0.412451 0.500000 0.587549 O\n0.587549 0.175098 0.087549 O\n0.587549 0.412451 0.500000 O\n0.631169 0.631169 0.262337 O\n0.087549 0.587549 0.175098 O\n0.368831 0.368831 0.737663 O\n0.631169 0.262337 0.631169 O\n0.912451 0.824902 0.412451 O\n0.412451 0.912451 0.824902 O\n0.175098 0.087549 0.587549 O\n0.368831 0.000000 0.631169 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9714864509245769,
"density_atomic": 0.05927955681269586,
"volume": 607.2919896103189,
"volume_molar": 10.158882899593882,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9949085333333332,
"spacegroup": 211
},
{
"id": "jvasp-91592",
"created_at": "2022-09-04T14:36:12.035114Z",
"updated_at": "2022-09-04T14:36:12.035135Z",
"structure_string": "Ti4 Se4\n1.0\n-1.793557 -3.106532 0.000000\n1.793557 -3.106532 0.000000\n-0.000000 -2.071021 12.851041\nTi Se\n4 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.084307 0.084307 0.747079 Ti\n0.915692 0.915692 0.252921 Ti\n0.208089 0.208089 0.375730 Se\n0.791910 0.791910 0.624270 Se\n0.375234 0.375234 0.874296 Se\n0.624765 0.624765 0.125704 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.8824939439498936,
"density_atomic": 0.05586382483628251,
"volume": 143.20537527541705,
"volume_molar": 10.780036593714817,
"formula_full": "Ti4 Se4",
"formula_reduced": "TiSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.2422558499999998,
"spacegroup": 166
},
{
"id": "jvasp-86321",
"created_at": "2022-09-04T14:36:12.086982Z",
"updated_at": "2022-09-04T14:36:12.087010Z",
"structure_string": "K2 N6\n1.0\n-3.052367 -3.052367 3.475211\n-3.052367 3.052367 -3.475211\n3.052367 -3.052367 -3.475211\nK N\n2 6\ndirect\n0.000000 0.750000 0.750000 K\n0.000000 0.250000 0.250000 K\n0.500001 -0.000000 0.500001 N\n0.500001 0.500001 0.000000 N\n0.225148 0.862574 0.362574 N\n0.774853 0.137426 0.637427 N\n0.500001 0.637426 0.862574 N\n0.500001 0.362574 0.137426 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"N"
],
"chemical_system": "K-N",
"density": 2.080098018273108,
"density_atomic": 0.061769675264633644,
"volume": 129.51338930836855,
"volume_molar": 9.74934825899593,
"formula_full": "K2 N6",
"formula_reduced": "KN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5728844375000004,
"spacegroup": 140
},
{
"id": "jvasp-94283",
"created_at": "2022-09-04T14:35:50.048595Z",
"updated_at": "2022-09-04T14:35:50.048622Z",
"structure_string": "Er2 Fe4\n1.0\n2.528556 1.459863 4.128895\n-2.528556 1.459863 4.128895\n0.000000 -2.919724 4.128895\nEr Fe\n2 4\ndirect\n0.624994 0.624994 0.624994 Er\n0.375005 0.375005 0.375005 Er\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.499999 Fe\n-0.000001 0.500000 0.000000 Fe\n0.500000 -0.000001 0.000000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Fe"
],
"chemical_system": "Er-Fe",
"density": 10.13058053158054,
"density_atomic": 0.06561175909873486,
"volume": 91.44702233895285,
"volume_molar": 9.17844734346731,
"formula_full": "Er2 Fe4",
"formula_reduced": "ErFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.376570333333333,
"spacegroup": 227
},
{
"id": "jvasp-19859",
"created_at": "2022-09-04T14:36:12.184286Z",
"updated_at": "2022-09-04T14:36:12.184316Z",
"structure_string": "Cu3 Sn1\n1.0\n3.787604 0.000000 2.186774\n1.262535 3.570987 2.186774\n0.000000 0.000000 4.373547\nCu Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n0.749998 0.750001 0.750000 Cu\n0.249999 0.250000 0.250000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn",
"density": 8.683799276905681,
"density_atomic": 0.06761971836919493,
"volume": 59.1543427933331,
"volume_molar": 8.905894471668589,
"formula_full": "Cu3 Sn1",
"formula_reduced": "Cu3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0157775,
"spacegroup": 225
},
{
"id": "jvasp-18404",
"created_at": "2022-09-04T14:36:12.186419Z",
"updated_at": "2022-09-04T14:36:12.186441Z",
"structure_string": "Y2 H6\n1.0\n1.810521 -3.135914 -0.000000\n1.810521 3.135914 0.000000\n-0.000000 -0.000000 6.113748\nY H\n2 6\ndirect\n0.666667 0.333333 0.750000 Y\n0.333333 0.666667 0.250000 Y\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.333333 0.666667 0.597432 H\n0.666667 0.333333 0.097431 H\n0.666667 0.333333 0.402569 H\n0.333333 0.666667 0.902569 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"H"
],
"chemical_system": "H-Y",
"density": 4.397740046617277,
"density_atomic": 0.11523509045891468,
"volume": 69.42329778317203,
"volume_molar": 5.2259608909207245,
"formula_full": "Y2 H6",
"formula_reduced": "YH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5307988625,
"spacegroup": 194
}
]
}