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=98",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=96",
"results": [
{
"id": "jvasp-101443",
"created_at": "2022-09-04T14:36:32.996538Z",
"updated_at": "2022-09-04T14:36:32.996559Z",
"structure_string": "Yb1 Ag1 S2\n1.0\n3.870675 0.000000 0.000000\n-0.000000 3.870675 0.000000\n-0.000000 0.000000 5.449313\nYb Ag S\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Yb\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 S\n0.500001 0.500001 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"S"
],
"chemical_system": "Ag-S-Yb",
"density": 7.0178019575594135,
"density_atomic": 0.048994217137501,
"volume": 81.64228828831173,
"volume_molar": 12.291533801017817,
"formula_full": "Yb1 Ag1 S2",
"formula_reduced": "YbAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3823494899999999,
"spacegroup": 123
},
{
"id": "jvasp-101445",
"created_at": "2022-09-04T14:36:35.949003Z",
"updated_at": "2022-09-04T14:36:35.949020Z",
"structure_string": "Y1 Th1 N2\n1.0\n3.589667 0.000000 -0.000000\n0.000000 3.589667 0.000000\n-0.000000 -0.000000 5.036362\nY Th N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Th",
"N"
],
"chemical_system": "N-Th-Y",
"density": 8.928862482993077,
"density_atomic": 0.06163603991313376,
"volume": 64.89709601131686,
"volume_molar": 9.770486177384617,
"formula_full": "Y1 Th1 N2",
"formula_reduced": "YThN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6811593875,
"spacegroup": 123
},
{
"id": "jvasp-101446",
"created_at": "2022-09-04T14:36:33.148244Z",
"updated_at": "2022-09-04T14:36:33.148266Z",
"structure_string": "Y2 Si2 Pd2\n1.0\n4.394152 -0.010421 3.521020\n2.334634 3.722655 3.521020\n0.029419 0.016230 7.019582\nY Si Pd\n2 2 2\ndirect\n0.450744 0.450743 0.788747 Y\n0.549256 0.549256 0.211253 Y\n0.153406 0.153405 0.793681 Si\n0.846594 0.846593 0.206319 Si\n0.818119 0.818118 0.623799 Pd\n0.181881 0.181880 0.376201 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Y",
"density": 6.480504256993131,
"density_atomic": 0.052405361918557734,
"volume": 114.4921011961428,
"volume_molar": 11.491459155188938,
"formula_full": "Y2 Si2 Pd2",
"formula_reduced": "YSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9673365833333332,
"spacegroup": 12
},
{
"id": "jvasp-10145",
"created_at": "2022-09-04T14:37:13.661653Z",
"updated_at": "2022-09-04T14:37:13.661686Z",
"structure_string": "Li4 Ti2 F12\n1.0\n4.652639 -0.000000 0.000000\n-0.000000 4.652639 0.000000\n0.000000 0.000000 8.938368\nLi Ti F\n4 2 12\ndirect\n0.000000 0.000000 0.338518 Li\n0.500000 0.500000 0.838518 Li\n0.500000 0.500000 0.161483 Li\n0.000000 0.000000 0.661483 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.804802 0.195198 0.155413 F\n0.804802 0.195198 0.844587 F\n0.695198 0.695198 0.344587 F\n0.304802 0.304802 0.344587 F\n0.195198 0.804802 0.844587 F\n0.288356 0.288356 0.000000 F\n0.711644 0.711644 0.000000 F\n0.195198 0.804802 0.155413 F\n0.695198 0.695198 0.655413 F\n0.211644 0.788356 0.500000 F\n0.788356 0.211644 0.500000 F\n0.304802 0.304802 0.655413 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Ti",
"F"
],
"chemical_system": "F-Li-Ti",
"density": 3.0164166921369437,
"density_atomic": 0.09302840193650655,
"volume": 193.48929601397757,
"volume_molar": 6.473443200830444,
"formula_full": "Li4 Ti2 F12",
"formula_reduced": "Li2TiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1903588920370369,
"spacegroup": 136
},
{
"id": "jvasp-101450",
"created_at": "2022-09-04T14:36:33.134308Z",
"updated_at": "2022-09-04T14:36:33.134330Z",
"structure_string": "Tb2 Ni1 Sb4\n1.0\n4.343909 0.000000 -0.000000\n0.000000 4.343909 0.000000\n-0.000000 0.000000 9.330852\nTb Ni Sb\n2 1 4\ndirect\n0.500000 0.000000 0.233290 Tb\n0.000000 0.500000 0.766710 Tb\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.867130 Sb\n0.000000 0.500000 0.132870 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Tb",
"density": 8.144623194221822,
"density_atomic": 0.0397571552449845,
"volume": 176.0689354373028,
"volume_molar": 15.147313038096994,
"formula_full": "Tb2 Ni1 Sb4",
"formula_reduced": "Tb2NiSb4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.577429085714286,
"spacegroup": 115
},
{
"id": "jvasp-101451",
"created_at": "2022-09-04T14:36:38.680334Z",
"updated_at": "2022-09-04T14:36:38.680356Z",
"structure_string": "Sm1 Zn2 Ga2\n1.0\n3.921113 -0.007604 -4.708871\n-0.519182 3.886597 -4.708871\n0.006669 0.007604 6.127687\nSm Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750000 0.500001 Zn\n0.614083 0.614084 0.000001 Ga\n0.385917 0.385918 0.000001 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Ga"
],
"chemical_system": "Ga-Sm-Zn",
"density": 7.458881746089838,
"density_atomic": 0.05339499862427065,
"volume": 93.64172916613308,
"volume_molar": 11.278473480965019,
"formula_full": "Sm1 Zn2 Ga2",
"formula_reduced": "Sm(ZnGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-101453",
"created_at": "2022-09-04T14:36:34.082206Z",
"updated_at": "2022-09-04T14:36:34.082225Z",
"structure_string": "Nd1 Cu1 Ge1\n1.0\n4.211936 0.000000 0.000000\n-2.105968 3.647644 0.000000\n0.000000 0.000000 4.115307\nNd Cu Ge\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Nd\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Nd",
"density": 7.36502158331295,
"density_atomic": 0.047448753359660416,
"volume": 63.22610790762134,
"volume_molar": 12.691884050888161,
"formula_full": "Nd1 Cu1 Ge1",
"formula_reduced": "NdCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3805792999999999,
"spacegroup": 187
},
{
"id": "jvasp-101454",
"created_at": "2022-09-04T14:36:34.782787Z",
"updated_at": "2022-09-04T14:36:34.782814Z",
"structure_string": "Nb2 Rh4\n1.0\n2.832610 0.000000 0.000000\n0.000000 4.659388 1.234145\n0.000000 -0.003706 6.988933\nNb Rh\n2 4\ndirect\n0.500000 0.268596 0.652655 Nb\n0.500000 0.521264 0.015308 Nb\n0.000000 0.758422 0.670516 Rh\n0.000000 0.209291 0.332366 Rh\n0.000000 0.017676 0.993124 Rh\n0.500000 0.724751 0.336029 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nb",
"Rh"
],
"chemical_system": "Nb-Rh",
"density": 10.753554806737906,
"density_atomic": 0.06503748198942735,
"volume": 92.25449412348674,
"volume_molar": 9.259492489237166,
"formula_full": "Nb2 Rh4",
"formula_reduced": "NbRh2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2108218,
"spacegroup": 6
},
{
"id": "jvasp-101456",
"created_at": "2022-09-04T14:36:34.272576Z",
"updated_at": "2022-09-04T14:36:34.272605Z",
"structure_string": "Mn2 Sb1 Te1\n1.0\n4.147820 -0.000000 -0.000000\n-2.073910 3.592117 -0.000000\n0.000000 0.000000 5.722347\nMn Sb Te\n2 1 1\ndirect\n0.000000 0.000000 0.743222 Mn\n0.000000 0.000000 0.256778 Mn\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666668 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"Te"
],
"chemical_system": "Mn-Sb-Te",
"density": 6.996558882629442,
"density_atomic": 0.046915400333394704,
"volume": 85.2598501041197,
"volume_molar": 12.836170462587738,
"formula_full": "Mn2 Sb1 Te1",
"formula_reduced": "Mn2SbTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.753952087356322,
"spacegroup": 187
},
{
"id": "jvasp-101458",
"created_at": "2022-09-04T14:36:35.022947Z",
"updated_at": "2022-09-04T14:36:35.022956Z",
"structure_string": "Mn1 Ga1 Pd2\n1.0\n3.348098 0.000000 0.000000\n0.000000 3.348098 0.000000\n-0.000000 0.000000 5.425406\nMn Ga Pd\n1 1 2\ndirect\n0.500000 0.500000 0.266559 Mn\n0.000000 0.000000 0.981714 Ga\n0.000000 0.000000 0.472625 Pd\n0.500000 0.500000 0.779105 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Pd"
],
"chemical_system": "Ga-Mn-Pd",
"density": 9.21500665234011,
"density_atomic": 0.06577054264694925,
"volume": 60.81750034315004,
"volume_molar": 9.156288693444946,
"formula_full": "Mn1 Ga1 Pd2",
"formula_reduced": "MnGaPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7103227415948274,
"spacegroup": 99
},
{
"id": "jvasp-101459",
"created_at": "2022-09-04T14:36:46.055090Z",
"updated_at": "2022-09-04T14:36:46.055117Z",
"structure_string": "Mg6 Si1 Sn2\n1.0\n6.071263 0.006297 -5.410471\n-0.612500 4.460798 -6.771971\n0.002982 -0.006297 8.132246\nMg Si Sn\n6 1 2\ndirect\n0.237010 0.500000 0.737011 Mg\n0.917246 0.160004 0.757243 Mg\n0.597239 0.839996 0.757243 Mg\n0.762989 0.500001 0.262990 Mg\n0.402760 0.160004 0.242757 Mg\n0.082753 0.839996 0.242758 Mg\n0.000000 0.000000 0.000000 Si\n0.666222 0.666223 0.000000 Sn\n0.333778 0.333778 0.000000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 3.103783840574302,
"density_atomic": 0.04089673968016397,
"volume": 220.06644222461685,
"volume_molar": 14.725234351433892,
"formula_full": "Mg6 Si1 Sn2",
"formula_reduced": "Mg6SiSn2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-10146",
"created_at": "2022-09-04T14:37:12.376334Z",
"updated_at": "2022-09-04T14:37:12.376361Z",
"structure_string": "Ti2 Hg2 O6\n1.0\n4.742768 0.004510 2.903988\n1.629220 4.454157 2.903988\n0.006444 0.004510 5.561201\nTi Hg O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.749999 0.750001 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n0.167106 0.750001 0.332894 O\n0.750000 0.332894 0.167107 O\n0.332893 0.167107 0.750000 O\n0.832893 0.250000 0.667107 O\n0.667106 0.832894 0.250000 O\n0.249999 0.667107 0.832894 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Hg",
"O"
],
"chemical_system": "Hg-O-Ti",
"density": 8.392323601589025,
"density_atomic": 0.08524012068215489,
"volume": 117.31564807713265,
"volume_molar": 7.064913460711162,
"formula_full": "Ti2 Hg2 O6",
"formula_reduced": "TiHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5999866866666663,
"spacegroup": 167
}
]
}