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=4010",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4008",
"results": [
{
"id": "jvasp-81797",
"created_at": "2022-09-04T14:37:18.565741Z",
"updated_at": "2022-09-04T14:37:18.565763Z",
"structure_string": "Hf2 In1 Mo1\n1.0\n-11.106877 3.949670 0.042485\n-7.860797 1.320373 2.437645\n-6.471504 5.253485 0.028348\nHf In Mo\n2 1 1\ndirect\n0.750167 -0.000046 -0.000046 Hf\n0.249846 0.000039 0.000040 Hf\n0.499995 0.000000 0.000001 In\n-0.000005 0.000004 0.000003 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Mo"
],
"chemical_system": "Hf-In-Mo",
"density": 11.933237808777243,
"density_atomic": 0.05063155035022848,
"volume": 79.00212362314024,
"volume_molar": 11.894047719936793,
"formula_full": "Hf2 In1 Mo1",
"formula_reduced": "Hf2InMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.089767967499999,
"spacegroup": 225
},
{
"id": "jvasp-8180",
"created_at": "2022-09-04T14:37:02.421755Z",
"updated_at": "2022-09-04T14:37:02.421780Z",
"structure_string": "Ho1 N1\n1.0\n2.980871 0.000000 1.721007\n0.993623 2.810392 1.721007\n0.000000 0.000000 3.442013\nHo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.499999 0.500000 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"N"
],
"chemical_system": "Ho-N",
"density": 10.304494911125271,
"density_atomic": 0.06935973208556284,
"volume": 28.83517481775709,
"volume_molar": 8.682474079587028,
"formula_full": "Ho1 N1",
"formula_reduced": "HoN",
"formula_anonymous": "AB",
"energy_above_hull": 1.1963044083333334,
"spacegroup": 225
},
{
"id": "jvasp-81802",
"created_at": "2022-09-04T14:37:18.279372Z",
"updated_at": "2022-09-04T14:37:18.279390Z",
"structure_string": "Ca1 Sc1 Rh2\n1.0\n-8.767147 -0.000001 -5.061714\n-5.780590 -0.543779 -0.111154\n-4.592905 2.815500 -2.168284\nCa Sc Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.000001 0.000000 Sc\n0.730468 0.000001 0.000001 Rh\n0.269531 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Rh"
],
"chemical_system": "Ca-Rh-Sc",
"density": 5.89394089330078,
"density_atomic": 0.048815214209892654,
"volume": 81.94166644032424,
"volume_molar": 12.336606235315017,
"formula_full": "Ca1 Sc1 Rh2",
"formula_reduced": "CaScRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1187854175000003,
"spacegroup": 71
},
{
"id": "jvasp-81804",
"created_at": "2022-09-04T14:37:19.597495Z",
"updated_at": "2022-09-04T14:37:19.597516Z",
"structure_string": "Li2 Ag1 As1\n1.0\n-8.568189 0.000000 -4.946845\n-5.734514 0.212765 0.038778\n-4.867865 2.664016 -1.462301\nLi Ag As\n2 1 1\ndirect\n0.757748 1.000000 1.000000 Li\n0.242252 -0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Ag\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"As"
],
"chemical_system": "Ag-As-Li",
"density": 4.413285158539222,
"density_atomic": 0.05405436762754334,
"volume": 73.99957072038346,
"volume_molar": 11.140895776443095,
"formula_full": "Li2 Ag1 As1",
"formula_reduced": "Li2AgAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8277322524999999,
"spacegroup": 71
},
{
"id": "jvasp-81806",
"created_at": "2022-09-04T14:37:18.337493Z",
"updated_at": "2022-09-04T14:37:18.337528Z",
"structure_string": "Ti1 Cd1 Rh2\n1.0\n-10.866987 2.147798 -2.766718\n-7.657841 1.157757 0.511059\n-6.779777 3.641300 -1.009793\nTi Cd Rh\n1 1 2\ndirect\n1.000000 -0.000001 0.000000 Ti\n0.500000 -0.000000 0.000000 Cd\n0.688511 0.042348 0.042348 Rh\n0.311490 -0.042348 -0.042348 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Ti",
"density": 9.452970086684607,
"density_atomic": 0.062200302638710146,
"volume": 64.30836877489104,
"volume_molar": 9.681851220209566,
"formula_full": "Ti1 Cd1 Rh2",
"formula_reduced": "TiCdRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8451185208333336,
"spacegroup": 12
},
{
"id": "jvasp-8181",
"created_at": "2022-09-04T14:36:59.847563Z",
"updated_at": "2022-09-04T14:36:59.847585Z",
"structure_string": "Na3 As1\n1.0\n4.354139 -0.000000 2.513863\n1.451380 4.105121 2.513863\n0.000000 -0.000000 5.027726\nNa As\n3 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"As"
],
"chemical_system": "As-Na",
"density": 2.658781184535694,
"density_atomic": 0.04451026069458354,
"volume": 89.86691916829777,
"volume_molar": 13.529780922475783,
"formula_full": "Na3 As1",
"formula_reduced": "Na3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0101624999999999,
"spacegroup": 225
},
{
"id": "jvasp-81812",
"created_at": "2022-09-04T14:37:11.793397Z",
"updated_at": "2022-09-04T14:37:11.793423Z",
"structure_string": "Ca1 Hg2 Pd1\n1.0\n-7.399341 -3.165298 -9.425490\n-4.531700 -2.212927 -1.723174\n-3.261850 1.460529 -3.952944\nCa Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750094 -0.000231 -0.000244 Hg\n0.249907 0.000230 0.000243 Hg\n0.500000 -0.000000 -0.000001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Pd"
],
"chemical_system": "Ca-Hg-Pd",
"density": 10.577156542758637,
"density_atomic": 0.04652158791337964,
"volume": 85.98158789093262,
"volume_molar": 12.944830626187695,
"formula_full": "Ca1 Hg2 Pd1",
"formula_reduced": "CaHg2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-81816",
"created_at": "2022-09-04T14:37:19.360855Z",
"updated_at": "2022-09-04T14:37:19.360870Z",
"structure_string": "Be2 Fe1 Pt1\n1.0\n-7.553697 0.000000 -4.361128\n-4.937905 -1.056758 -0.169554\n-3.665587 2.541536 -2.373274\nBe Fe Pt\n2 1 1\ndirect\n0.755527 0.000000 0.000000 Be\n0.244474 0.000000 0.000000 Be\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Pt"
],
"chemical_system": "Be-Fe-Pt",
"density": 9.03599230896606,
"density_atomic": 0.08093004199743126,
"volume": 49.42540373483262,
"volume_molar": 7.441168460274794,
"formula_full": "Be2 Fe1 Pt1",
"formula_reduced": "Be2FePt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.546604775,
"spacegroup": 71
},
{
"id": "jvasp-8182",
"created_at": "2022-09-04T14:36:34.286784Z",
"updated_at": "2022-09-04T14:36:34.286814Z",
"structure_string": "Al2 P2\n1.0\n1.945211 -3.369205 -0.000000\n1.945211 3.369205 0.000000\n0.000000 -0.000000 6.397962\nAl P\n2 2\ndirect\n0.333333 0.666667 0.000290 Al\n0.666667 0.333333 0.500290 Al\n0.333333 0.666667 0.374710 P\n0.666667 0.333333 0.874710 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"P"
],
"chemical_system": "Al-P",
"density": 2.295125565283156,
"density_atomic": 0.04769734287526471,
"volume": 83.8621138804433,
"volume_molar": 12.625736355479484,
"formula_full": "Al2 P2",
"formula_reduced": "AlP",
"formula_anonymous": "AB",
"energy_above_hull": 1.17966915,
"spacegroup": 186
},
{
"id": "jvasp-81829",
"created_at": "2022-09-04T14:37:18.231070Z",
"updated_at": "2022-09-04T14:37:18.231098Z",
"structure_string": "Li1 Mn1 Ir2\n1.0\n-8.801534 0.000000 -5.081567\n-5.590770 -0.969566 -0.479638\n-4.340376 2.567079 -2.645383\nLi Mn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 -0.000001 -0.000000 Mn\n0.718321 -0.000001 -0.000000 Ir\n0.281680 -0.000001 -0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Ir"
],
"chemical_system": "Ir-Li-Mn",
"density": 12.168827733799585,
"density_atomic": 0.0656780207017769,
"volume": 60.9031751757979,
"volume_molar": 9.169187340989817,
"formula_full": "Li1 Mn1 Ir2",
"formula_reduced": "LiMnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.659237360344828,
"spacegroup": 71
},
{
"id": "jvasp-8183",
"created_at": "2022-09-04T14:36:59.928709Z",
"updated_at": "2022-09-04T14:36:59.928737Z",
"structure_string": "Al2 As2\n1.0\n2.018783 -3.496635 0.000000\n2.018783 3.496635 0.000000\n0.000000 0.000000 6.646789\nAl As\n2 2\ndirect\n0.333332 0.666666 0.000941 Al\n0.666666 0.333332 0.500941 Al\n0.333332 0.666666 0.375059 As\n0.666666 0.333332 0.875059 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"As"
],
"chemical_system": "Al-As",
"density": 3.606490778820018,
"density_atomic": 0.042626351701402304,
"volume": 93.8386664666967,
"volume_molar": 14.127741454828485,
"formula_full": "Al2 As2",
"formula_reduced": "AlAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.0491322749999998,
"spacegroup": 186
},
{
"id": "jvasp-81831",
"created_at": "2022-09-04T14:37:19.368920Z",
"updated_at": "2022-09-04T14:37:19.368935Z",
"structure_string": "Zr1 Sc1 Co2\n1.0\n-8.215271 -0.000000 -4.743088\n-5.515894 0.280273 0.067632\n-4.709177 2.562013 -1.329643\nZr Sc Co\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Zr\n0.000000 0.000000 0.000000 Sc\n0.751957 -0.000001 0.000000 Co\n0.248043 -0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Co"
],
"chemical_system": "Co-Sc-Zr",
"density": 6.464878826315726,
"density_atomic": 0.06129970795933271,
"volume": 65.25316568642822,
"volume_molar": 9.82409371998182,
"formula_full": "Zr1 Sc1 Co2",
"formula_reduced": "ZrScCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5095528874999995,
"spacegroup": 71
}
]
}