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=4102",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4100",
"results": [
{
"id": "jvasp-110505",
"created_at": "2022-09-04T14:38:38.984420Z",
"updated_at": "2022-09-04T14:38:38.984451Z",
"structure_string": "La1 Cd2 Cu1\n1.0\n4.382688 -0.000000 2.530346\n1.460896 4.132038 2.530346\n-0.000000 -0.000000 5.060693\nLa Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Cd\n0.500001 0.500000 0.500000 Cd\n0.750001 0.750000 0.750000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-La",
"density": 7.741768336909729,
"density_atomic": 0.04364606927014968,
"volume": 91.64628262952583,
"volume_molar": 13.797670353143685,
"formula_full": "La1 Cd2 Cu1",
"formula_reduced": "LaCd2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-111830",
"created_at": "2022-09-04T14:38:38.985219Z",
"updated_at": "2022-09-04T14:38:38.985246Z",
"structure_string": "Ba2 Pb2 S4 O16\n1.0\n5.481282 0.000000 0.000000\n0.000000 7.022145 0.000000\n0.000000 0.000000 8.691326\nBa Pb S O\n2 2 4 16\ndirect\n0.500000 0.414745 0.325106 Ba\n0.500000 0.585254 0.825106 Ba\n0.000000 0.094563 0.683075 Pb\n0.000000 0.905436 0.183075 Pb\n0.500000 0.067758 0.932354 S\n0.500000 0.932242 0.432354 S\n0.000000 0.438528 0.067167 S\n0.000000 0.561471 0.567167 S\n0.500000 0.810311 0.568584 O\n0.500000 0.189688 0.068584 O\n0.000000 0.711433 0.687557 O\n0.000000 0.288567 0.187557 O\n0.500000 0.818910 0.287587 O\n0.500000 0.181089 0.787588 O\n0.722295 0.057716 0.430922 O\n0.781927 0.436197 0.588394 O\n0.218072 0.436197 0.588394 O\n0.781927 0.563802 0.088394 O\n0.000000 0.359587 0.909941 O\n0.218072 0.563802 0.088394 O\n0.277705 0.057716 0.430922 O\n0.722295 0.942283 0.930922 O\n0.277705 0.942283 0.930922 O\n0.000000 0.640412 0.409941 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Pb",
"S",
"O"
],
"chemical_system": "Ba-O-Pb-S",
"density": 5.32762966022907,
"density_atomic": 0.0717419641446834,
"volume": 334.53224045551275,
"volume_molar": 8.394167669921934,
"formula_full": "Ba2 Pb2 S4 O16",
"formula_reduced": "BaPb(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.1836062325,
"spacegroup": 26
},
{
"id": "jvasp-110412",
"created_at": "2022-09-04T14:38:38.985770Z",
"updated_at": "2022-09-04T14:38:38.985800Z",
"structure_string": "Ce1 Pm1 Mg2\n1.0\n4.679992 0.000000 2.701994\n1.559997 4.412339 2.701994\n0.000000 0.000000 5.403989\nCe Pm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ce\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.749999 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Pm",
"Mg"
],
"chemical_system": "Ce-Mg-Pm",
"density": 4.9660455834393975,
"density_atomic": 0.03584524494271748,
"volume": 111.59081229301692,
"volume_molar": 16.800389478782158,
"formula_full": "Ce1 Pm1 Mg2",
"formula_reduced": "CePmMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.51986369375,
"spacegroup": 225
},
{
"id": "jvasp-118347",
"created_at": "2022-09-04T14:38:38.988003Z",
"updated_at": "2022-09-04T14:38:38.988026Z",
"structure_string": "V1 O1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nV O F\n1 1 1\ndirect\n0.041897 0.330810 0.000000 V\n0.243038 -0.017112 0.000000 O\n-0.075073 -0.098094 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 0.7430746603866032,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "V1 O1 F1",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4341659941666665,
"spacegroup": 6
},
{
"id": "jvasp-110331",
"created_at": "2022-09-04T14:38:38.992520Z",
"updated_at": "2022-09-04T14:38:38.992551Z",
"structure_string": "Pr2 Sm2 O4\n1.0\n4.588308 0.002288 -4.094815\n-0.918886 4.495356 -4.094815\n-0.001867 -0.002288 6.149803\nPr Sm O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500001 Pr\n0.500000 0.500001 0.000001 Sm\n0.249999 0.750001 0.500000 Sm\n0.255323 0.255323 0.000001 O\n0.494676 0.994678 0.500001 O\n0.005322 0.505323 0.500000 O\n0.744677 0.744678 0.000002 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Sm",
"O"
],
"chemical_system": "O-Pr-Sm",
"density": 8.46860613976499,
"density_atomic": 0.06310477098045802,
"volume": 126.7732990026602,
"volume_molar": 9.54308314004484,
"formula_full": "Pr2 Sm2 O4",
"formula_reduced": "PrSmO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.26642393125,
"spacegroup": 141
},
{
"id": "jvasp-110454",
"created_at": "2022-09-04T14:38:38.996071Z",
"updated_at": "2022-09-04T14:38:38.996087Z",
"structure_string": "Nd2 Cd6\n1.0\n6.776999 -0.000000 -0.000000\n-3.388499 5.869053 0.000000\n0.000000 -0.000000 4.993223\nNd Cd\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.840482 0.159518 0.750000 Cd\n0.319037 0.159518 0.750000 Cd\n0.840481 0.680962 0.750000 Cd\n0.159518 0.840481 0.250000 Cd\n0.680963 0.840481 0.250000 Cd\n0.159518 0.319037 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 8.05130760995715,
"density_atomic": 0.04028130868350539,
"volume": 198.60327932383893,
"volume_molar": 14.950211293571947,
"formula_full": "Nd2 Cd6",
"formula_reduced": "NdCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-110346",
"created_at": "2022-09-04T14:38:39.000007Z",
"updated_at": "2022-09-04T14:38:39.000031Z",
"structure_string": "K2 Tl1 As1 Cl6\n1.0\n6.650644 -0.000000 3.839751\n2.216882 6.270287 3.839751\n0.000000 0.000000 7.679502\nK Tl As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.769725 0.230274 0.230274 Cl\n0.230274 0.230274 0.769726 Cl\n0.230274 0.769726 0.769726 Cl\n0.230274 0.769726 0.230274 Cl\n0.769725 0.230274 0.769726 Cl\n0.769725 0.769726 0.230274 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"As",
"Cl"
],
"chemical_system": "As-Cl-K-Tl",
"density": 2.9566981104572085,
"density_atomic": 0.0312259616027733,
"volume": 320.2463426814648,
"volume_molar": 19.285685535029767,
"formula_full": "K2 Tl1 As1 Cl6",
"formula_reduced": "K2TlAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106283",
"created_at": "2022-09-04T14:38:39.010227Z",
"updated_at": "2022-09-04T14:38:39.010247Z",
"structure_string": "Yb5 Mg1\n1.0\n5.671659 -0.004420 4.177807\n2.109037 5.264950 4.177807\n-0.006537 -0.004420 7.044270\nYb Mg\n5 1\ndirect\n0.840168 0.500000 0.159833 Yb\n0.500000 0.159832 0.840168 Yb\n0.159833 0.840168 0.500000 Yb\n0.664906 0.664905 0.664906 Yb\n0.335095 0.335095 0.335095 Yb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 7.012760134091866,
"density_atomic": 0.028486739472995955,
"volume": 210.62431541832677,
"volume_molar": 21.140154582130034,
"formula_full": "Yb5 Mg1",
"formula_reduced": "Yb5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0021033333333333,
"spacegroup": 155
},
{
"id": "jvasp-110614",
"created_at": "2022-09-04T14:38:39.010559Z",
"updated_at": "2022-09-04T14:38:39.010569Z",
"structure_string": "Mn2 Ni2 N4\n1.0\n2.620292 0.000000 0.000000\n-1.310147 2.269207 0.000000\n0.000000 -0.000000 11.995366\nMn Ni N\n2 2 4\ndirect\n0.333447 0.666895 0.250000 Mn\n0.666552 0.333107 0.750000 Mn\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.999888 0.999780 0.847989 N\n0.000111 0.000221 0.152011 N\n0.000111 0.000221 0.347989 N\n0.999888 0.999780 0.652011 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"N"
],
"chemical_system": "Mn-N-Ni",
"density": 6.595421528401889,
"density_atomic": 0.11216379058283807,
"volume": 71.32426568707693,
"volume_molar": 5.369059594640192,
"formula_full": "Mn2 Ni2 N4",
"formula_reduced": "MnNiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8538265353448273,
"spacegroup": 194
},
{
"id": "jvasp-110556",
"created_at": "2022-09-04T14:38:39.011738Z",
"updated_at": "2022-09-04T14:38:39.011752Z",
"structure_string": "Nb3 Al1 V3 Sn1\n1.0\n5.097448 -0.041643 -0.053336\n-0.053461 5.097338 -0.053336\n-0.041547 -0.041643 5.097558\nNb Al V Sn\n3 1 3 1\ndirect\n0.738599 0.002545 0.503120 Nb\n0.002544 0.503121 0.738599 Nb\n0.503120 0.738599 0.002543 Nb\n0.490808 0.490809 0.490808 Al\n0.255813 0.983651 0.512194 V\n0.983651 0.512195 0.255812 V\n0.512194 0.255814 0.983650 V\n0.013272 0.013272 0.013272 Sn\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nb",
"Al",
"V",
"Sn"
],
"chemical_system": "Al-Nb-Sn-V",
"density": 7.23861622715274,
"density_atomic": 0.060414842973810924,
"volume": 132.41779016901359,
"volume_molar": 9.9679821440743,
"formula_full": "Nb3 Al1 V3 Sn1",
"formula_reduced": "Nb3AlV3Sn",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 4.5991781625,
"spacegroup": 146
},
{
"id": "jvasp-110513",
"created_at": "2022-09-04T14:38:39.020442Z",
"updated_at": "2022-09-04T14:38:39.020462Z",
"structure_string": "Cr6 As2\n1.0\n4.575903 0.000000 -0.000000\n0.000000 4.575903 0.000000\n-0.000000 0.000000 4.575903\nCr As\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.750000 0.000000 0.500000 Cr\n0.500000 0.250000 0.000000 Cr\n0.500000 0.750000 0.000000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750000 Cr\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"As"
],
"chemical_system": "As-Cr",
"density": 8.00370765643961,
"density_atomic": 0.0834948248223671,
"volume": 95.81432163034985,
"volume_molar": 7.212591646023493,
"formula_full": "Cr6 As2",
"formula_reduced": "Cr3As",
"formula_anonymous": "AB3",
"energy_above_hull": 4.1558409875,
"spacegroup": 223
},
{
"id": "jvasp-110567",
"created_at": "2022-09-04T14:38:39.025190Z",
"updated_at": "2022-09-04T14:38:39.025221Z",
"structure_string": "Li1 Sm1 S2\n1.0\n3.982212 0.000000 -0.000000\n0.000000 3.982212 -0.000000\n-0.000000 0.000000 5.430465\nLi Sm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sm",
"S"
],
"chemical_system": "Li-S-Sm",
"density": 4.269743110106941,
"density_atomic": 0.04644877009450355,
"volume": 86.11638137805794,
"volume_molar": 12.965124260012692,
"formula_full": "Li1 Sm1 S2",
"formula_reduced": "LiSmS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02831971875,
"spacegroup": 123
}
]
}