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=nsites&page=983",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=981",
"results": [
{
"id": "jvasp-19783",
"created_at": "2022-09-04T14:38:28.675387Z",
"updated_at": "2022-09-04T14:38:28.675404Z",
"structure_string": "Te2 Rh2\n1.0\n2.032926 -3.521130 0.000000\n2.032926 3.521130 -0.000000\n0.000000 0.000000 5.729395\nTe Rh\n2 2\ndirect\n0.666668 0.333334 0.750001 Te\n0.333334 0.666668 0.250000 Te\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Te",
"Rh"
],
"chemical_system": "Rh-Te",
"density": 9.332929717204376,
"density_atomic": 0.04876605241923921,
"volume": 82.02427306627587,
"volume_molar": 12.349042953544753,
"formula_full": "Te2 Rh2",
"formula_reduced": "TeRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.1367153833333334,
"spacegroup": 194
},
{
"id": "jvasp-38147",
"created_at": "2022-09-04T14:38:30.236927Z",
"updated_at": "2022-09-04T14:38:30.236953Z",
"structure_string": "Re1 Sn3\n1.0\n-0.000000 3.527518 3.527518\n3.527518 0.000000 3.527518\n3.527518 3.527518 0.000000\nRe Sn\n1 3\ndirect\n0.750000 0.750000 0.750000 Re\n0.000000 0.000000 0.000000 Sn\n0.499999 0.499999 0.499999 Sn\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Sn"
],
"chemical_system": "Re-Sn",
"density": 10.2584234178553,
"density_atomic": 0.04556404583818102,
"volume": 87.78851672228248,
"volume_molar": 13.216870120329974,
"formula_full": "Re1 Sn3",
"formula_reduced": "ReSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.236093275,
"spacegroup": 225
},
{
"id": "jvasp-115517",
"created_at": "2022-09-04T14:38:28.637813Z",
"updated_at": "2022-09-04T14:38:28.637837Z",
"structure_string": "Sn1 B1 O2\n1.0\n2.765205 0.000000 0.000000\n0.000000 2.765205 -0.000000\n-0.000000 -0.000000 6.194022\nSn B O\n1 1 2\ndirect\n0.500000 0.500000 0.617587 Sn\n0.000000 0.000000 0.098061 B\n0.000000 0.000000 0.302206 O\n0.500000 0.500000 0.992145 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn",
"density": 5.663011650414504,
"density_atomic": 0.08445640298242442,
"volume": 47.361713958294075,
"volume_molar": 7.130472702292592,
"formula_full": "Sn1 B1 O2",
"formula_reduced": "SnBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2381503208333333,
"spacegroup": 99
},
{
"id": "jvasp-108713",
"created_at": "2022-09-04T14:38:28.635867Z",
"updated_at": "2022-09-04T14:38:28.635896Z",
"structure_string": "Al1 Co2 Ni1\n1.0\n3.254341 0.019314 -2.919173\n-0.635747 3.191698 -2.919173\n-0.015750 -0.019314 4.371734\nAl Co Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Co\n0.249999 0.750001 0.500000 Co\n0.499999 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Ni"
],
"chemical_system": "Al-Co-Ni",
"density": 7.494672371631768,
"density_atomic": 0.08869741059093564,
"volume": 45.097145151707245,
"volume_molar": 6.789533899443314,
"formula_full": "Al1 Co2 Ni1",
"formula_reduced": "AlCo2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.25411675,
"spacegroup": 139
},
{
"id": "jvasp-55131",
"created_at": "2022-09-04T14:38:28.631377Z",
"updated_at": "2022-09-04T14:38:28.631398Z",
"structure_string": "Na1 Mn1 O2\n1.0\n2.878391 -0.043302 4.800065\n1.295923 2.570522 4.800065\n-0.071525 -0.043302 5.596485\nNa Mn O\n1 1 2\ndirect\n0.499998 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.267197 0.267198 0.267197 O\n0.732800 0.732803 0.732802 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.2501397841388675,
"density_atomic": 0.0931346433481926,
"volume": 42.948572692178836,
"volume_molar": 6.466058754834828,
"formula_full": "Na1 Mn1 O2",
"formula_reduced": "NaMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6337008103448274,
"spacegroup": 166
},
{
"id": "jvasp-108638",
"created_at": "2022-09-04T14:38:12.048101Z",
"updated_at": "2022-09-04T14:38:12.048117Z",
"structure_string": "Ho1 Tm1 Rh2\n1.0\n4.141546 -0.000000 2.391123\n1.380515 3.904687 2.391123\n-0.000000 -0.000000 4.782245\nHo Tm Rh\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Rh\n0.750001 0.750001 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tm",
"Rh"
],
"chemical_system": "Ho-Rh-Tm",
"density": 11.587807886751463,
"density_atomic": 0.051722493490094765,
"volume": 77.33579203342215,
"volume_molar": 11.643175635283871,
"formula_full": "Ho1 Tm1 Rh2",
"formula_reduced": "HoTmRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8823014541666665,
"spacegroup": 225
},
{
"id": "jvasp-38638",
"created_at": "2022-09-04T14:38:28.561886Z",
"updated_at": "2022-09-04T14:38:28.561917Z",
"structure_string": "Ni3 S1\n1.0\n-1.764523 1.764523 3.659664\n1.764523 -1.764523 3.659664\n1.764523 1.764523 -3.659664\nNi S\n3 1\ndirect\n0.750001 0.250000 0.500001 Ni\n0.250000 0.750001 0.500001 Ni\n0.499999 0.499999 0.000000 Ni\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 7.583324582749027,
"density_atomic": 0.08776152048063514,
"volume": 45.57806175295941,
"volume_molar": 6.861937586107347,
"formula_full": "Ni3 S1",
"formula_reduced": "Ni3S",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2813293,
"spacegroup": 139
},
{
"id": "jvasp-76954",
"created_at": "2022-09-04T14:38:13.081800Z",
"updated_at": "2022-09-04T14:38:13.081810Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-11.992578 2.822820 -2.314273\n-8.789672 0.578163 0.987239\n-7.312284 4.756848 -1.571672\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000001 0.000000 Sc\n0.749943 0.000029 0.000028 Hg\n0.250056 -0.000028 -0.000028 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Hg"
],
"chemical_system": "Ca-Hg-Sc",
"density": 8.514747852532814,
"density_atomic": 0.0421847329794879,
"volume": 94.82103399694336,
"volume_molar": 14.275640343458457,
"formula_full": "Ca1 Sc1 Hg2",
"formula_reduced": "CaScHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-19791",
"created_at": "2022-09-04T14:38:28.903733Z",
"updated_at": "2022-09-04T14:38:28.903757Z",
"structure_string": "Li3 Hg1\n1.0\n3.956131 0.000000 2.284073\n1.318710 3.729876 2.284073\n0.000000 0.000000 4.568146\nLi Hg\n3 1\ndirect\n0.749999 0.750001 0.749999 Li\n0.500000 0.500001 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 5.454402465675957,
"density_atomic": 0.059341013258197066,
"volume": 67.40700538084359,
"volume_molar": 10.148361865337938,
"formula_full": "Li3 Hg1",
"formula_reduced": "Li3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4040875000000001,
"spacegroup": 225
},
{
"id": "jvasp-37740",
"created_at": "2022-09-04T14:38:12.221899Z",
"updated_at": "2022-09-04T14:38:12.221919Z",
"structure_string": "Ho1 Tm1 Tl2\n1.0\n0.000000 3.744020 3.744020\n3.744020 -0.000000 3.744020\n3.744020 3.744020 0.000000\nHo Tm Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tm",
"Tl"
],
"chemical_system": "Ho-Tl-Tm",
"density": 11.748374231119305,
"density_atomic": 0.038107943762285885,
"volume": 104.9649916813056,
"volume_molar": 15.802848869426287,
"formula_full": "Ho1 Tm1 Tl2",
"formula_reduced": "HoTmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2862012541666666,
"spacegroup": 225
},
{
"id": "jvasp-118773",
"created_at": "2022-09-04T14:38:28.892086Z",
"updated_at": "2022-09-04T14:38:28.892101Z",
"structure_string": "Sr1 Ti1 N2\n1.0\n3.186153 0.000000 0.000000\n0.000000 3.186153 -0.000000\n0.000000 -0.000000 5.682235\nSr Ti N\n1 1 2\ndirect\n0.500000 0.500000 0.539835 Sr\n0.000000 0.000000 0.074563 Ti\n0.000000 0.000000 0.383835 N\n0.500000 0.500000 0.011767 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"N"
],
"chemical_system": "N-Sr-Ti",
"density": 4.706688669762189,
"density_atomic": 0.06934378556284941,
"volume": 57.683611696892704,
"volume_molar": 8.684470729596757,
"formula_full": "Sr1 Ti1 N2",
"formula_reduced": "SrTiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.089387785833334,
"spacegroup": 99
},
{
"id": "jvasp-109924",
"created_at": "2022-09-04T14:38:19.320506Z",
"updated_at": "2022-09-04T14:38:19.320533Z",
"structure_string": "Ba1 Pm3\n1.0\n4.882636 0.058785 -4.251447\n-0.974186 4.784826 -4.251447\n-0.047436 -0.058785 6.474001\nBa Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Pm\n0.249999 0.750000 0.499999 Pm\n0.500000 0.500001 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Pm"
],
"chemical_system": "Ba-Pm",
"density": 6.369646312240361,
"density_atomic": 0.02680908410540295,
"volume": 149.2031575667989,
"volume_molar": 22.46306041759305,
"formula_full": "Ba1 Pm3",
"formula_reduced": "BaPm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.16798987375,
"spacegroup": 139
}
]
}