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=-id&page=4023",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4021",
"results": [
{
"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
},
{
"id": "jvasp-110566",
"created_at": "2022-09-04T14:38:39.396123Z",
"updated_at": "2022-09-04T14:38:39.396151Z",
"structure_string": "Mg6 Cd1 In1\n1.0\n6.303151 0.000000 0.000000\n-3.151575 5.458689 -0.000000\n0.000000 0.000000 5.146493\nMg Cd In\n6 1 1\ndirect\n0.667909 0.833955 0.500000 Mg\n0.166045 0.833955 0.500000 Mg\n0.166045 0.332090 0.500000 Mg\n0.335952 0.167976 0.000000 Mg\n0.832024 0.167976 0.000000 Mg\n0.832023 0.664048 0.000000 Mg\n0.666667 0.333333 0.500000 Cd\n0.333333 0.666667 0.000000 In\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"In"
],
"chemical_system": "Cd-In-Mg",
"density": 3.498397626576347,
"density_atomic": 0.045178575933508165,
"volume": 177.075081157362,
"volume_molar": 13.32963829772572,
"formula_full": "Mg6 Cd1 In1",
"formula_reduced": "Mg6CdIn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-110565",
"created_at": "2022-09-04T14:38:39.562797Z",
"updated_at": "2022-09-04T14:38:39.562825Z",
"structure_string": "Mn2 Co2 B4\n1.0\n3.006335 0.000000 0.000000\n0.000000 3.994501 0.000000\n0.000000 0.000000 5.399429\nMn Co B\n2 2 4\ndirect\n0.500001 0.374018 0.321223 Mn\n0.500001 0.625981 0.821223 Mn\n0.000000 0.134903 0.678350 Co\n0.000000 0.865097 0.178350 Co\n0.000000 0.641392 0.533049 B\n0.000000 0.358608 0.033048 B\n0.500001 0.874157 0.467379 B\n0.500001 0.125842 0.967379 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Co",
"B"
],
"chemical_system": "B-Co-Mn",
"density": 6.939832352182889,
"density_atomic": 0.12337928383759926,
"volume": 64.84070705524745,
"volume_molar": 4.880998310807815,
"formula_full": "Mn2 Co2 B4",
"formula_reduced": "MnCoB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.026348327011494,
"spacegroup": 26
},
{
"id": "jvasp-110564",
"created_at": "2022-09-04T14:38:38.621653Z",
"updated_at": "2022-09-04T14:38:38.621669Z",
"structure_string": "Mn1 Cr1 B2\n1.0\n4.130699 0.004456 0.000000\n-3.069118 2.764637 0.000000\n0.000000 0.000000 2.930375\nMn Cr B\n1 1 2\ndirect\n0.856933 0.143069 0.000000 Mn\n0.144396 0.855606 0.500001 Cr\n0.432881 0.567121 0.500001 B\n0.565793 0.434209 0.000000 B\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"B"
],
"chemical_system": "B-Cr-Mn",
"density": 6.371435483726328,
"density_atomic": 0.11938653368773115,
"volume": 33.504616278268436,
"volume_molar": 5.044237883437996,
"formula_full": "Mn1 Cr1 B2",
"formula_reduced": "MnCrB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.380407452011494,
"spacegroup": 38
},
{
"id": "jvasp-110563",
"created_at": "2022-09-04T14:38:38.455571Z",
"updated_at": "2022-09-04T14:38:38.455581Z",
"structure_string": "Mo1 Cl6\n1.0\n6.018130 0.000000 0.000000\n-3.009065 5.211853 -0.000000\n0.000000 0.000000 5.518722\nMo Cl\n1 6\ndirect\n0.000000 0.000000 0.500000 Mo\n0.313095 0.313095 0.258251 Cl\n-0.000001 0.686905 0.258251 Cl\n0.686905 -0.000000 0.258251 Cl\n-0.000000 0.313095 0.741749 Cl\n0.313095 -0.000000 0.741749 Cl\n0.686904 0.686905 0.741749 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo",
"density": 2.9609726433814125,
"density_atomic": 0.04043950208897877,
"volume": 173.09807585162514,
"volume_molar": 14.89172825805205,
"formula_full": "Mo1 Cl6",
"formula_reduced": "MoCl6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.9592271864285712,
"spacegroup": 162
},
{
"id": "jvasp-110562",
"created_at": "2022-09-04T14:38:38.427922Z",
"updated_at": "2022-09-04T14:38:38.427950Z",
"structure_string": "Na2 Br1 Cl1\n1.0\n3.910353 0.000113 5.897011\n1.777614 3.482951 5.897011\n0.000185 0.000113 7.075705\nNa Br Cl\n2 1 1\ndirect\n0.254244 0.254244 0.254245 Na\n0.745754 0.745754 0.745759 Na\n0.499999 0.499999 0.500002 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.7802171619402216,
"density_atomic": 0.04151039621351773,
"volume": 96.36140256106283,
"volume_molar": 14.507548251343621,
"formula_full": "Na2 Br1 Cl1",
"formula_reduced": "Na2BrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-110560",
"created_at": "2022-09-04T14:38:39.109092Z",
"updated_at": "2022-09-04T14:38:39.109112Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n4.045913 -0.000000 0.000000\n-2.022956 3.503863 -0.000000\n0.000000 0.000000 9.908687\nNa Br Cl\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.333332 0.666666 0.178262 Na\n0.666666 0.333333 0.821739 Na\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.660822 Cl\n0.666666 0.333333 0.339179 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.59810160960611,
"density_atomic": 0.042714121982660794,
"volume": 140.46876586707359,
"volume_molar": 14.098711340583343,
"formula_full": "Na3 Br1 Cl2",
"formula_reduced": "Na3BrCl2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0027183333333333,
"spacegroup": 164
},
{
"id": "jvasp-110559",
"created_at": "2022-09-04T14:38:38.197275Z",
"updated_at": "2022-09-04T14:38:38.197296Z",
"structure_string": "Na1 Ce1 S2\n1.0\n3.920552 -0.003233 5.818292\n1.774961 3.495749 5.818292\n-0.005273 -0.003233 7.015927\nNa Ce S\n1 1 2\ndirect\n0.499999 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Ce\n0.254525 0.254526 0.254525 S\n0.745473 0.745476 0.745474 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ce",
"S"
],
"chemical_system": "Ce-Na-S",
"density": 3.916563029274715,
"density_atomic": 0.04151827670544665,
"volume": 96.34311241716958,
"volume_molar": 14.504794605817477,
"formula_full": "Na1 Ce1 S2",
"formula_reduced": "NaCeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.843903625,
"spacegroup": 166
},
{
"id": "jvasp-110558",
"created_at": "2022-09-04T14:38:38.455830Z",
"updated_at": "2022-09-04T14:38:38.455839Z",
"structure_string": "Na1 Ce1 S2\n1.0\n4.058743 -0.000000 0.000000\n0.000000 4.058743 0.000000\n-0.000000 -0.000000 5.568201\nNa Ce S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ce",
"S"
],
"chemical_system": "Ce-Na-S",
"density": 4.113654216196346,
"density_atomic": 0.04360757959005579,
"volume": 91.72717306493558,
"volume_molar": 13.809848692848067,
"formula_full": "Na1 Ce1 S2",
"formula_reduced": "NaCeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.856321125,
"spacegroup": 123
},
{
"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-110555",
"created_at": "2022-09-04T14:38:38.900393Z",
"updated_at": "2022-09-04T14:38:38.900423Z",
"structure_string": "Nd2 Mn3 Fe1 Si4\n1.0\n3.973626 0.000000 0.000000\n0.000000 3.973626 0.000000\n0.000000 0.000000 10.422576\nNd Mn Fe Si\n2 3 1 4\ndirect\n0.500000 0.000000 0.752710 Nd\n0.000000 0.500000 0.247291 Nd\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.879949 Si\n0.500000 0.000000 0.374331 Si\n0.500000 0.000000 0.120052 Si\n0.000000 0.500000 0.625669 Si\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-Mn-Nd-Si",
"density": 6.270913279688314,
"density_atomic": 0.06076464319148489,
"volume": 164.56938566211028,
"volume_molar": 9.91060005243954,
"formula_full": "Nd2 Mn3 Fe1 Si4",
"formula_reduced": "Nd2Mn3FeSi4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.7746744624137927,
"spacegroup": 115
},
{
"id": "jvasp-110554",
"created_at": "2022-09-04T14:38:38.310920Z",
"updated_at": "2022-09-04T14:38:38.310929Z",
"structure_string": "Nd2 Co1 Si3\n1.0\n4.055281 0.000000 -0.000000\n-2.027640 3.511977 0.000000\n-0.000000 -0.000000 8.484875\nNd Co Si\n2 1 3\ndirect\n0.333333 0.666668 0.242202 Nd\n0.333333 0.666668 0.757797 Nd\n0.666667 0.333333 0.000000 Co\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Si"
],
"chemical_system": "Co-Nd-Si",
"density": 5.931801611573409,
"density_atomic": 0.04965159289259179,
"volume": 120.84204454385639,
"volume_molar": 12.128796699488221,
"formula_full": "Nd2 Co1 Si3",
"formula_reduced": "Nd2CoSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.8545682833333337,
"spacegroup": 187
}
]
}