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=volume&page=559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=557",
"results": [
{
"id": "jvasp-118084",
"created_at": "2022-09-04T14:38:48.094710Z",
"updated_at": "2022-09-04T14:38:48.094728Z",
"structure_string": "Sb1 N1 Cl1\n1.0\n4.614611 0.000000 0.000000\n-2.307306 3.996371 -0.000000\n-0.000000 -0.000000 3.054984\nSb N Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sb\n0.333333 0.666667 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sb",
"density": 5.046531557851343,
"density_atomic": 0.053248995416412925,
"volume": 56.33909102959923,
"volume_molar": 11.309397882356665,
"formula_full": "Sb1 N1 Cl1",
"formula_reduced": "SbNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4443544725,
"spacegroup": 187
},
{
"id": "jvasp-114481",
"created_at": "2022-09-04T14:38:41.246917Z",
"updated_at": "2022-09-04T14:38:41.246943Z",
"structure_string": "B2 C1 Cl2\n1.0\n2.842872 0.000000 0.000000\n-1.421436 2.461999 -0.000000\n0.000000 0.000000 8.049579\nB C Cl\n2 1 2\ndirect\n0.666665 0.333333 0.394906 B\n0.333332 0.666667 0.605093 B\n0.000000 0.000000 0.500000 C\n0.666665 0.333333 0.796272 Cl\n0.333332 0.666667 0.203728 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"C",
"Cl"
],
"chemical_system": "B-C-Cl",
"density": 3.0811145673362548,
"density_atomic": 0.08874658680755358,
"volume": 56.3401949287635,
"volume_molar": 6.785771686137039,
"formula_full": "B2 C1 Cl2",
"formula_reduced": "B2CCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3891446603333337,
"spacegroup": 164
},
{
"id": "jvasp-67202",
"created_at": "2022-09-04T14:35:55.346608Z",
"updated_at": "2022-09-04T14:35:55.346643Z",
"structure_string": "Zr1 Be1 Tl1\n1.0\n-1.578796 1.578796 5.650834\n1.578796 -1.578796 5.650834\n1.578796 1.578796 -5.650834\nZr Be Tl\n1 1 1\ndirect\n0.644241 0.644241 0.000000 Zr\n0.002947 0.002947 0.000000 Be\n0.352811 0.352811 0.000000 Tl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Tl"
],
"chemical_system": "Be-Tl-Zr",
"density": 8.978053665646396,
"density_atomic": 0.05324718818611969,
"volume": 56.34100320027848,
"volume_molar": 11.309781727722914,
"formula_full": "Zr1 Be1 Tl1",
"formula_reduced": "ZrBeTl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6943044000000005,
"spacegroup": 107
},
{
"id": "jvasp-93460",
"created_at": "2022-09-04T14:36:05.226776Z",
"updated_at": "2022-09-04T14:36:05.226813Z",
"structure_string": "Mn2 O4\n1.0\n2.870767 0.000000 0.000000\n0.000000 4.525667 0.000002\n0.000000 0.000000 4.336739\nMn O\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.828865 0.221051 O\n0.000000 0.328864 0.278946 O\n0.000000 0.671137 0.721053 O\n0.500000 0.171136 0.778948 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.124354215649246,
"density_atomic": 0.10648965603043299,
"volume": 56.3435006146071,
"volume_molar": 5.655141526871841,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0774847471264373,
"spacegroup": 58
},
{
"id": "jvasp-114508",
"created_at": "2022-09-04T14:38:42.201790Z",
"updated_at": "2022-09-04T14:38:42.201821Z",
"structure_string": "Ta1 B1 O4\n1.0\n3.183500 -2.572344 0.000000\n3.183500 2.572344 0.000000\n0.000000 0.000000 3.440250\nTa B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500001 B\n0.700405 0.700405 0.000000 O\n0.763840 0.236160 0.500001 O\n0.236160 0.763840 0.500001 O\n0.299594 0.299594 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"B",
"O"
],
"chemical_system": "B-O-Ta",
"density": 7.537404866667215,
"density_atomic": 0.10648718598535278,
"volume": 56.34480754168201,
"volume_molar": 5.6552727018519775,
"formula_full": "Ta1 B1 O4",
"formula_reduced": "TaBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.496490963888889,
"spacegroup": 65
},
{
"id": "jvasp-115425",
"created_at": "2022-09-04T14:38:46.889249Z",
"updated_at": "2022-09-04T14:38:46.889277Z",
"structure_string": "As1 N3\n1.0\n2.979621 0.087897 -0.006796\n-1.152795 -3.152522 0.023585\n0.311957 -1.945998 -6.051653\nAs N\n1 3\ndirect\n0.229926 -0.045906 0.054711 As\n-0.049661 0.684674 0.677404 N\n0.872543 0.918993 0.538219 N\n0.562597 0.593112 0.180891 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"N"
],
"chemical_system": "As-N",
"density": 3.4462333628575346,
"density_atomic": 0.07098820150590683,
"volume": 56.3473917516725,
"volume_molar": 8.48329811468587,
"formula_full": "As1 N3",
"formula_reduced": "AsN3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.558727875000001,
"spacegroup": 1
},
{
"id": "jvasp-16272",
"created_at": "2022-09-04T14:37:52.144718Z",
"updated_at": "2022-09-04T14:37:52.144742Z",
"structure_string": "Pr1 As1\n1.0\n3.726811 -0.000000 2.151675\n1.242271 3.513671 2.151675\n0.000000 0.000000 4.303352\nPr As\n1 1\ndirect\n0.500000 0.500000 0.500001 Pr\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"As"
],
"chemical_system": "As-Pr",
"density": 6.359955321490131,
"density_atomic": 0.035491525070453125,
"volume": 56.35148098115993,
"volume_molar": 16.9678275251504,
"formula_full": "Pr1 As1",
"formula_reduced": "PrAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.5582457999999999,
"spacegroup": 225
},
{
"id": "jvasp-36592",
"created_at": "2022-09-04T14:37:09.429891Z",
"updated_at": "2022-09-04T14:37:09.429917Z",
"structure_string": "Mg1 Ti1 O3\n1.0\n3.833861 -0.000000 -0.000000\n-0.000000 3.833861 -0.000000\n-0.000000 0.000000 3.833861\nMg Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.541088591486921,
"density_atomic": 0.08872804550934349,
"volume": 56.351968211375464,
"volume_molar": 6.787189693438969,
"formula_full": "Mg1 Ti1 O3",
"formula_reduced": "MgTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6285975766666665,
"spacegroup": 221
},
{
"id": "jvasp-41290",
"created_at": "2022-09-04T14:37:34.924712Z",
"updated_at": "2022-09-04T14:37:34.924733Z",
"structure_string": "Mn1 Ga1 Ir2\n1.0\n-0.000090 3.042853 3.042883\n3.043318 -0.000027 3.042820\n3.043380 3.042853 -0.000090\nMn Ga Ir\n1 1 2\ndirect\n0.750002 0.749999 0.750001 Mn\n0.249995 0.250001 0.250002 Ga\n-0.000001 0.000002 -0.000003 Ir\n0.500000 0.500001 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Mn",
"density": 14.99994658402279,
"density_atomic": 0.07097440105918386,
"volume": 56.35834808474812,
"volume_molar": 8.484947629185742,
"formula_full": "Mn1 Ga1 Ir2",
"formula_reduced": "MnGaIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.182727941594828,
"spacegroup": 225
},
{
"id": "jvasp-15968",
"created_at": "2022-09-04T14:38:16.144325Z",
"updated_at": "2022-09-04T14:38:16.144353Z",
"structure_string": "Cr3 Pd1 N1\n1.0\n3.834064 0.000000 0.000000\n0.000000 3.834064 0.000000\n0.000000 0.000000 3.834064\nCr Pd N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"Pd",
"N"
],
"chemical_system": "Cr-N-Pd",
"density": 8.143903711256758,
"density_atomic": 0.08871395275586175,
"volume": 56.360920065864455,
"volume_molar": 6.788267879994885,
"formula_full": "Cr3 Pd1 N1",
"formula_reduced": "Cr3PdN",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.46490423,
"spacegroup": 221
},
{
"id": "jvasp-51136",
"created_at": "2022-09-04T14:36:38.718387Z",
"updated_at": "2022-09-04T14:36:38.718413Z",
"structure_string": "Na1 Ta1 Ni1\n1.0\n-0.000000 3.043138 3.043138\n3.043138 0.000000 3.043138\n3.043138 3.043138 -0.000000\nNa Ta Ni\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Ta\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Ta",
"Ni"
],
"chemical_system": "Na-Ni-Ta",
"density": 7.73749228722025,
"density_atomic": 0.05322630491737422,
"volume": 56.3631085166826,
"volume_molar": 11.314219105287249,
"formula_full": "Na1 Ta1 Ni1",
"formula_reduced": "NaTaNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5133168666666665,
"spacegroup": 216
},
{
"id": "jvasp-78777",
"created_at": "2022-09-04T14:36:36.438548Z",
"updated_at": "2022-09-04T14:36:36.438577Z",
"structure_string": "Nd1 Cd1\n1.0\n3.834171 -0.000000 -0.000000\n-0.000000 3.834171 0.000000\n0.000000 -0.000000 3.834171\nNd Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 7.561030820944011,
"density_atomic": 0.035482610302750114,
"volume": 56.365638912562986,
"volume_molar": 16.972090577939383,
"formula_full": "Nd1 Cd1",
"formula_reduced": "NdCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.4695905,
"spacegroup": 221
}
]
}