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=61",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=59",
"results": [
{
"id": "jvasp-100823",
"created_at": "2022-09-04T14:36:34.044494Z",
"updated_at": "2022-09-04T14:36:34.044515Z",
"structure_string": "Mn2 Al1 Cu3\n1.0\n4.195448 -0.003444 2.438259\n1.401457 3.954455 2.438259\n-0.004879 -0.003444 4.852512\nMn Al Cu\n2 1 3\ndirect\n0.126619 0.126620 0.126619 Mn\n0.873380 0.873383 0.873379 Mn\n0.500000 0.500002 0.499999 Al\n0.500000 0.000001 0.499999 Cu\n-0.000000 0.500001 0.499999 Cu\n0.500000 0.500001 -0.000001 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 6.74708827097569,
"density_atomic": 0.0744411437960833,
"volume": 80.60058851910989,
"volume_molar": 8.08980149001533,
"formula_full": "Mn2 Al1 Cu3",
"formula_reduced": "Mn2AlCu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6618397721264366,
"spacegroup": 166
},
{
"id": "jvasp-100824",
"created_at": "2022-09-04T14:36:34.470233Z",
"updated_at": "2022-09-04T14:36:34.470251Z",
"structure_string": "Mg1 In1\n1.0\n3.242921 0.097786 1.093065\n1.353636 2.948519 1.093065\n0.083368 0.055251 5.096534\nMg In\n1 1\ndirect\n0.500001 0.500001 0.499998 Mg\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 4.844832736339487,
"density_atomic": 0.041943121851850604,
"volume": 47.68362276571353,
"volume_molar": 14.35787441209337,
"formula_full": "Mg1 In1",
"formula_reduced": "MgIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.2611033333333333,
"spacegroup": 166
},
{
"id": "jvasp-100825",
"created_at": "2022-09-04T14:36:34.461706Z",
"updated_at": "2022-09-04T14:36:34.461722Z",
"structure_string": "Li1 Ti1 O2\n1.0\n2.961209 -0.000000 0.000000\n0.000000 2.961209 0.000000\n-0.000000 -0.000000 3.975324\nLi Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Li\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.499999 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.135158802365843,
"density_atomic": 0.11474911357822616,
"volume": 34.85865707601428,
"volume_molar": 5.248093490408201,
"formula_full": "Li1 Ti1 O2",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6209113333333334,
"spacegroup": 123
},
{
"id": "jvasp-100827",
"created_at": "2022-09-04T14:36:34.624041Z",
"updated_at": "2022-09-04T14:36:34.624062Z",
"structure_string": "La1 Hg3\n1.0\n3.839998 -0.000000 0.000000\n-1.919999 3.325536 0.000000\n-0.000000 0.000000 9.040968\nLa Hg\n1 3\ndirect\n0.000000 -0.000000 0.500000 La\n0.000000 0.000000 0.000000 Hg\n0.333334 0.666667 0.765310 Hg\n0.333334 0.666667 0.234690 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 10.652939862717076,
"density_atomic": 0.03464594467170211,
"volume": 115.4536277738472,
"volume_molar": 17.381949942668832,
"formula_full": "La1 Hg3",
"formula_reduced": "LaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-100828",
"created_at": "2022-09-04T14:36:34.994162Z",
"updated_at": "2022-09-04T14:36:34.994193Z",
"structure_string": "K1 Bi1 S2\n1.0\n3.974391 -0.010396 6.643833\n1.827604 3.529271 6.643833\n-0.017142 -0.010396 7.741835\nK Bi S\n1 1 2\ndirect\n0.500000 0.499999 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.261279 0.261278 0.261279 S\n0.738721 0.738719 0.738722 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Bi",
"S"
],
"chemical_system": "Bi-K-S",
"density": 4.743621486017336,
"density_atomic": 0.03659956472811786,
"volume": 109.29091724762982,
"volume_molar": 16.454132186368465,
"formula_full": "K1 Bi1 S2",
"formula_reduced": "KBiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7081855749999999,
"spacegroup": 166
},
{
"id": "jvasp-100829",
"created_at": "2022-09-04T14:36:35.535971Z",
"updated_at": "2022-09-04T14:36:35.536001Z",
"structure_string": "K5 Sb4\n1.0\n6.317481 -0.027912 2.301736\n3.970938 4.913552 2.301736\n-0.003529 -0.001676 11.321513\nK Sb\n5 4\ndirect\n0.096172 0.096172 0.110810 K\n0.898363 0.898361 0.893039 K\n0.750062 0.750061 0.336201 K\n0.244338 0.244337 0.667593 K\n0.996990 0.996989 0.502051 K\n0.451102 0.451101 0.328516 Sb\n0.543419 0.543418 0.675292 Sb\n0.388120 0.388120 0.111097 Sb\n0.606437 0.606436 0.892703 Sb\n",
"nsites": 9,
"nelements": 2,
"elements": [
"K",
"Sb"
],
"chemical_system": "K-Sb",
"density": 3.2130635545895805,
"density_atomic": 0.02551467427206812,
"volume": 352.7381891703254,
"volume_molar": 23.602655851235642,
"formula_full": "K5 Sb4",
"formula_reduced": "K5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.4885893592592593,
"spacegroup": 12
},
{
"id": "jvasp-10083",
"created_at": "2022-09-04T14:38:09.046361Z",
"updated_at": "2022-09-04T14:38:09.046370Z",
"structure_string": "Li4 Al4 Se8\n1.0\n6.573855 0.000000 0.000000\n0.000000 6.871569 0.000000\n0.000000 0.000000 8.242735\nLi Al Se\n4 4 8\ndirect\n0.002291 0.586778 0.877690 Li\n0.502292 0.413222 0.122309 Li\n0.502292 0.913222 0.377690 Li\n0.002291 0.086778 0.622309 Li\n0.999595 0.574798 0.374075 Al\n0.499595 0.425202 0.625924 Al\n0.499595 0.925202 0.874075 Al\n0.999595 0.074798 0.125925 Al\n0.115871 0.907987 0.365985 Se\n0.615872 0.092013 0.634015 Se\n0.615872 0.592013 0.865984 Se\n0.115871 0.407987 0.134015 Se\n0.632043 0.567233 0.381529 Se\n0.132043 0.432767 0.618470 Se\n0.132043 0.932767 0.881529 Se\n0.632043 0.067233 0.118470 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Al",
"Se"
],
"chemical_system": "Al-Li-Se",
"density": 3.4222098062978406,
"density_atomic": 0.042970718217758136,
"volume": 372.34658073245373,
"volume_molar": 14.014522004222126,
"formula_full": "Li4 Al4 Se8",
"formula_reduced": "LiAlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9948998833333332,
"spacegroup": 33
},
{
"id": "jvasp-100831",
"created_at": "2022-09-04T14:36:46.796522Z",
"updated_at": "2022-09-04T14:36:46.796546Z",
"structure_string": "Ho2 Ge2 Pd2\n1.0\n4.426078 0.009160 3.491025\n2.297967 3.782804 3.491025\n-0.012713 -0.007170 6.998212\nHo Ge Pd\n2 2 2\ndirect\n0.452273 0.452271 0.308839 Ho\n0.547730 0.547728 0.691158 Ho\n0.158189 0.158188 0.901075 Ge\n0.841813 0.841811 0.098923 Ge\n0.823785 0.823782 0.721424 Pd\n0.176217 0.176217 0.278574 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Pd"
],
"chemical_system": "Ge-Ho-Pd",
"density": 9.743908532239287,
"density_atomic": 0.05117515116761564,
"volume": 117.24440207998614,
"volume_molar": 11.767704877461888,
"formula_full": "Ho2 Ge2 Pd2",
"formula_reduced": "HoGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8406157388888889,
"spacegroup": 12
},
{
"id": "jvasp-100832",
"created_at": "2022-09-04T14:36:35.771230Z",
"updated_at": "2022-09-04T14:36:35.771263Z",
"structure_string": "Hg2 Te1 Se1\n1.0\n4.044485 0.009094 6.130060\n1.846798 3.598232 6.130060\n0.014852 0.009094 7.344064\nHg Te Se\n2 1 1\ndirect\n0.245117 0.245116 0.245117 Hg\n0.754884 0.754881 0.754885 Hg\n0.000000 0.000000 0.000000 Te\n0.500000 0.499999 0.500001 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Te",
"Se"
],
"chemical_system": "Hg-Se-Te",
"density": 9.493167932444292,
"density_atomic": 0.03762740222282828,
"volume": 106.3055051292706,
"volume_molar": 16.004667886284242,
"formula_full": "Hg2 Te1 Se1",
"formula_reduced": "Hg2TeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0201925,
"spacegroup": 166
},
{
"id": "jvasp-100833",
"created_at": "2022-09-04T14:36:36.453195Z",
"updated_at": "2022-09-04T14:36:36.453204Z",
"structure_string": "Hf1 Zr2 U1 C4\n1.0\n3.321791 -0.002415 10.736550\n1.620931 2.899463 10.736550\n-0.004121 -0.002415 11.238673\nHf Zr U C\n1 2 1 4\ndirect\n0.996349 0.996344 0.996350 Hf\n0.503646 0.503643 0.503646 Zr\n0.250397 0.250396 0.250397 Zr\n0.749520 0.749516 0.749521 U\n0.875998 0.875993 0.875999 C\n0.625404 0.625400 0.625404 C\n0.372454 0.372452 0.372454 C\n0.126239 0.126239 0.126239 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Hf",
"Zr",
"U",
"C"
],
"chemical_system": "C-Hf-U-Zr",
"density": 9.90574759896814,
"density_atomic": 0.0737593955362843,
"volume": 108.46075868483192,
"volume_molar": 8.164574446705629,
"formula_full": "Hf1 Zr2 U1 C4",
"formula_reduced": "HfZr2UC4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 6.33542475,
"spacegroup": 160
},
{
"id": "jvasp-100834",
"created_at": "2022-09-04T14:36:36.768583Z",
"updated_at": "2022-09-04T14:36:36.768592Z",
"structure_string": "Hf1 Nb4 C1 N4\n1.0\n3.158157 0.019053 -11.053115\n-0.043639 3.157913 -11.053115\n-0.018678 -0.019053 11.495432\nHf Nb C N\n1 4 1 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.404113 0.404112 -0.000000 Nb\n0.794908 0.794906 -0.000000 Nb\n0.205092 0.205092 -0.000000 Nb\n0.595887 0.595886 -0.000000 Nb\n0.500000 0.499999 -0.000000 C\n0.897971 0.897968 -0.000000 N\n0.303839 0.303838 -0.000000 N\n0.696162 0.696160 -0.000000 N\n0.102030 0.102030 -0.000000 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Hf",
"Nb",
"C",
"N"
],
"chemical_system": "C-Hf-N-Nb",
"density": 9.057064273474397,
"density_atomic": 0.08823529802714353,
"volume": 113.33332831180253,
"volume_molar": 6.825092558929681,
"formula_full": "Hf1 Nb4 C1 N4",
"formula_reduced": "HfNb4CN4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 6.37494636,
"spacegroup": 139
},
{
"id": "jvasp-100835",
"created_at": "2022-09-04T14:36:35.888831Z",
"updated_at": "2022-09-04T14:36:35.888851Z",
"structure_string": "Ga1 Cu1 Se2\n1.0\n3.774266 0.000000 0.000000\n0.000000 3.774266 0.000000\n-0.000000 0.000000 5.284202\nGa Cu Se\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Se\n0.500001 0.500001 -0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se",
"density": 6.423617043652837,
"density_atomic": 0.053139268363270306,
"volume": 75.27390051092212,
"volume_molar": 11.332750610775221,
"formula_full": "Ga1 Cu1 Se2",
"formula_reduced": "GaCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4148473770833333,
"spacegroup": 123
}
]
}