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=561",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=559",
"results": [
{
"id": "jvasp-79513",
"created_at": "2022-09-04T14:36:52.753204Z",
"updated_at": "2022-09-04T14:36:52.753224Z",
"structure_string": "Na1 N3\n1.0\n2.384795 2.907436 -1.896520\n2.384795 -2.907436 -1.896520\n0.668200 0.000000 -6.163180\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.500001 N\n0.933231 0.933231 0.623046 N\n0.066767 0.066767 0.376956 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.3822629774616746,
"density_atomic": 0.051217960058556646,
"volume": 78.09760473526994,
"volume_molar": 11.757869218365952,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8767996875,
"spacegroup": 12
},
{
"id": "jvasp-8771",
"created_at": "2022-09-04T14:37:01.058147Z",
"updated_at": "2022-09-04T14:37:01.058175Z",
"structure_string": "Rb2 O4\n1.0\n6.259446 -0.000000 0.000000\n6.259446 4.653910 -0.569349\n3.129723 2.766405 3.238279\nRb O\n2 4\ndirect\n0.624983 0.000000 0.500000 Rb\n0.625016 0.500000 0.500000 Rb\n1.233342 -0.249856 0.000113 O\n0.233742 1.249857 0.999887 O\n0.016657 0.749857 0.999887 O\n1.016259 0.250144 0.000113 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"O"
],
"chemical_system": "O-Rb",
"density": 3.7441677484833935,
"density_atomic": 0.05758548868753675,
"volume": 104.19291624937765,
"volume_molar": 10.457740130810725,
"formula_full": "Rb2 O4",
"formula_reduced": "RbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.93300675,
"spacegroup": 65
},
{
"id": "jvasp-42479",
"created_at": "2022-09-04T14:36:52.772472Z",
"updated_at": "2022-09-04T14:36:52.772491Z",
"structure_string": "Cr4 S6\n1.0\n3.293457 -4.857257 -0.000000\n1.935061 4.857256 -2.665033\n1.961308 4.875053 3.847884\nCr S\n4 6\ndirect\n0.323534 0.676467 0.970600 Cr\n0.500001 0.500000 0.500002 Cr\n-0.000002 0.000002 -0.000005 Cr\n0.676471 0.323530 0.029411 Cr\n0.092917 0.596412 0.242247 S\n0.596415 0.745747 0.757750 S\n0.403589 0.254258 0.242247 S\n0.907085 0.403586 0.757750 S\n0.254254 0.092916 0.757750 S\n0.745742 0.907083 0.242248 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 4.0074667110946445,
"density_atomic": 0.060277401935703766,
"volume": 165.8996519237296,
"volume_molar": 9.990710559197046,
"formula_full": "Cr4 S6",
"formula_reduced": "Cr2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.114368960000001,
"spacegroup": 148
},
{
"id": "jvasp-58365",
"created_at": "2022-09-04T14:36:42.737292Z",
"updated_at": "2022-09-04T14:36:42.737323Z",
"structure_string": "Cr10 Si6\n1.0\n4.321513 -0.000000 1.544881\n2.160756 6.429339 0.772440\n-0.003507 0.000000 6.826559\nCr Si\n10 6\ndirect\n0.250000 0.500000 0.500000 Cr\n0.750000 0.500000 0.500000 Cr\n0.076224 0.152833 0.694718 Cr\n0.770942 0.305282 0.152833 Cr\n0.229057 0.694718 0.847167 Cr\n0.923775 0.847167 0.305282 Cr\n0.270942 0.152833 0.305282 Cr\n0.729057 0.847167 0.694718 Cr\n0.423775 0.305282 0.847167 Cr\n0.576224 0.694718 0.152833 Cr\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n0.167269 0.500000 0.165462 Si\n0.332731 0.834538 0.500000 Si\n0.667268 0.165462 0.500000 Si\n0.832730 0.500000 0.834538 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"Si"
],
"chemical_system": "Cr-Si",
"density": 6.026329764358705,
"density_atomic": 0.08434051219290728,
"volume": 189.7071713698407,
"volume_molar": 7.140270557316391,
"formula_full": "Cr10 Si6",
"formula_reduced": "Cr5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 4.826771600000001,
"spacegroup": 140
},
{
"id": "jvasp-36228",
"created_at": "2022-09-04T14:36:52.828663Z",
"updated_at": "2022-09-04T14:36:52.828689Z",
"structure_string": "Ti2 Ge1\n1.0\n3.096603 3.096603 0.000000\n3.096603 0.000000 -3.096603\n-0.000000 3.096603 -3.096603\nTi Ge\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti",
"density": 4.708011777476465,
"density_atomic": 0.05051666462785056,
"volume": 59.386343538327296,
"volume_molar": 11.921097333650783,
"formula_full": "Ti2 Ge1",
"formula_reduced": "Ti2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5755442055555555,
"spacegroup": 216
},
{
"id": "jvasp-5668",
"created_at": "2022-09-04T14:37:04.702827Z",
"updated_at": "2022-09-04T14:37:04.702852Z",
"structure_string": "Ta2 Cl8\n1.0\n5.950924 -0.000000 3.292953\n2.747633 5.870328 2.058203\n0.008390 -0.067071 7.008480\nTa Cl\n2 8\ndirect\n0.280791 0.000000 -0.000000 Ta\n0.719209 0.000000 -0.000000 Ta\n0.225187 0.751917 0.308893 Cl\n0.285997 0.248084 0.691107 Cl\n0.810756 0.220448 0.158038 Cl\n0.189242 0.779552 0.841962 Cl\n0.718062 0.745453 0.818420 Cl\n0.281936 0.254548 0.181579 Cl\n0.714001 0.751917 0.308893 Cl\n0.774811 0.248084 0.691107 Cl\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Cl"
],
"chemical_system": "Cl-Ta",
"density": 4.377185665994199,
"density_atomic": 0.04083535447835226,
"volume": 244.8858379642872,
"volume_molar": 14.747369863514892,
"formula_full": "Ta2 Cl8",
"formula_reduced": "TaCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.2445290939999996,
"spacegroup": 12
},
{
"id": "jvasp-8114",
"created_at": "2022-09-04T14:37:01.023511Z",
"updated_at": "2022-09-04T14:37:01.023538Z",
"structure_string": "Mn1 N1\n1.0\n2.519898 -0.018567 -1.439573\n-1.666669 2.375772 -0.022938\n-0.013025 0.018567 2.902083\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000001 0.500000 0.499999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.623332262713347,
"density_atomic": 0.1157061040695503,
"volume": 17.285172775308475,
"volume_molar": 5.204687175691374,
"formula_full": "Mn1 N1",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy_above_hull": 2.9692302456896544,
"spacegroup": 225
},
{
"id": "jvasp-106593",
"created_at": "2022-09-04T14:37:02.099191Z",
"updated_at": "2022-09-04T14:37:02.099206Z",
"structure_string": "Rb3 Mg3\n1.0\n15.200379 0.033735 0.000000\n-14.646181 4.067192 0.000000\n-0.000000 -0.000000 4.908273\nRb Mg\n3 3\ndirect\n0.965072 0.034931 -0.000000 Rb\n0.719867 0.280135 -0.000000 Rb\n0.094659 0.905340 0.500000 Rb\n0.335387 0.664613 -0.000000 Mg\n0.397046 0.602954 0.500000 Mg\n0.821306 0.178696 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7878463943306138,
"density_atomic": 0.019616266775809948,
"volume": 305.8685971481066,
"volume_molar": 30.699729101493876,
"formula_full": "Rb3 Mg3",
"formula_reduced": "RbMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3956404999999999,
"spacegroup": 38
},
{
"id": "jvasp-8008",
"created_at": "2022-09-04T14:37:04.647311Z",
"updated_at": "2022-09-04T14:37:04.647325Z",
"structure_string": "Ni4 B2\n1.0\n3.970330 0.016132 -1.102886\n-2.290246 3.243232 -1.102886\n-0.008315 -0.016132 4.120657\nNi B\n4 2\ndirect\n0.919663 0.580335 -0.000002 Ni\n0.080335 0.080336 0.660672 Ni\n0.580335 0.919663 -0.000002 Ni\n0.419663 0.419664 0.339327 Ni\n0.499999 0.000000 0.500000 B\n-0.000001 0.500000 0.500000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"B"
],
"chemical_system": "B-Ni",
"density": 8.02225400959878,
"density_atomic": 0.11305453652474586,
"volume": 53.071731435444825,
"volume_molar": 5.326757284686094,
"formula_full": "Ni4 B2",
"formula_reduced": "Ni2B",
"formula_anonymous": "AB2",
"energy_above_hull": 1.855992461111111,
"spacegroup": 140
},
{
"id": "jvasp-11981",
"created_at": "2022-09-04T14:36:52.854369Z",
"updated_at": "2022-09-04T14:36:52.854405Z",
"structure_string": "Nb6 Al2\n1.0\n5.216911 0.000000 -0.000000\n0.000000 5.216911 -0.000000\n-0.000000 -0.000000 5.216911\nNb Al\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.750000 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Al"
],
"chemical_system": "Al-Nb",
"density": 7.150480269429586,
"density_atomic": 0.056344263148114214,
"volume": 141.98428647420783,
"volume_molar": 10.688116985698047,
"formula_full": "Nb6 Al2",
"formula_reduced": "Nb3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 4.4933552500000005,
"spacegroup": 223
},
{
"id": "jvasp-79595",
"created_at": "2022-09-04T14:36:52.961660Z",
"updated_at": "2022-09-04T14:36:52.961674Z",
"structure_string": "Pt2 Pb2\n1.0\n-2.191899 -3.796036 -0.000000\n-2.191899 3.796036 0.000000\n0.000000 0.000000 -5.566163\nPt Pb\n2 2\ndirect\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.666647 0.333354 0.750000 Pb\n0.333354 0.666647 0.250000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pt",
"Pb"
],
"chemical_system": "Pb-Pt",
"density": 14.423646704975585,
"density_atomic": 0.043184034542706425,
"volume": 92.62682475960507,
"volume_molar": 13.945294421354873,
"formula_full": "Pt2 Pb2",
"formula_reduced": "PtPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.8430061099999999,
"spacegroup": 194
},
{
"id": "jvasp-79271",
"created_at": "2022-09-04T14:36:42.740016Z",
"updated_at": "2022-09-04T14:36:42.740036Z",
"structure_string": "Nd1 Pt3\n1.0\n4.206681 0.000000 0.000000\n0.000000 4.206681 0.000000\n-0.000000 -0.000000 4.206681\nNd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Pt"
],
"chemical_system": "Nd-Pt",
"density": 16.27241762935757,
"density_atomic": 0.05373302015005563,
"volume": 74.4421212288001,
"volume_molar": 11.207523312820461,
"formula_full": "Nd1 Pt3",
"formula_reduced": "NdPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.149631425,
"spacegroup": 221
}
]
}