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=-volume&page=3570",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3568",
"results": [
{
"id": "jvasp-17730",
"created_at": "2022-09-04T14:37:32.145980Z",
"updated_at": "2022-09-04T14:37:32.146003Z",
"structure_string": "Fe2 Sn2\n1.0\n2.030690 -3.517258 -0.000000\n2.030690 3.517258 -0.000000\n-0.000000 -0.000000 5.126346\nFe Sn\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750001 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Sn"
],
"chemical_system": "Fe-Sn",
"density": 7.916361522572756,
"density_atomic": 0.05462283339057143,
"volume": 73.22944914626946,
"volume_molar": 11.024951263402414,
"formula_full": "Fe2 Sn2",
"formula_reduced": "FeSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3697135999999996,
"spacegroup": 194
},
{
"id": "jvasp-108727",
"created_at": "2022-09-04T14:38:27.874461Z",
"updated_at": "2022-09-04T14:38:27.874490Z",
"structure_string": "U1 Mn1 Fe1 Si2\n1.0\n3.710853 0.000000 1.476193\n-0.587236 3.664094 1.476193\n0.004868 0.005710 5.390030\nU Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.500000 Mn\n0.749999 0.250000 0.500000 Fe\n0.368875 0.368875 0.262249 Si\n0.631124 0.631124 0.737751 Si\n",
"nsites": 5,
"nelements": 4,
"elements": [
"U",
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-Mn-Si-U",
"density": 9.183858431508225,
"density_atomic": 0.06828248884396639,
"volume": 73.22521607883384,
"volume_molar": 8.819451168163052,
"formula_full": "U1 Mn1 Fe1 Si2",
"formula_reduced": "UMnFeSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.153647188275862,
"spacegroup": 119
},
{
"id": "jvasp-36884",
"created_at": "2022-09-04T14:38:08.274865Z",
"updated_at": "2022-09-04T14:38:08.274891Z",
"structure_string": "Tl1 Fe1 F3\n1.0\n4.182457 -0.045691 -0.004043\n0.049179 4.182888 -0.003860\n0.004477 0.004190 4.184955\nTl Fe F\n1 1 3\ndirect\n0.990070 0.992047 0.993999 Tl\n0.489960 0.491961 0.494017 Fe\n0.989965 0.492036 0.493989 F\n0.490014 0.991974 0.493988 F\n0.489995 0.491986 0.994016 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"F"
],
"chemical_system": "F-Fe-Tl",
"density": 7.193815947780626,
"density_atomic": 0.06828335691239537,
"volume": 73.22428518584384,
"volume_molar": 8.819339048790688,
"formula_full": "Tl1 Fe1 F3",
"formula_reduced": "TlFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1840521231666667,
"spacegroup": 221
},
{
"id": "jvasp-107352",
"created_at": "2022-09-04T14:36:55.359452Z",
"updated_at": "2022-09-04T14:36:55.359483Z",
"structure_string": "Cr2 B4 Ru2\n1.0\n2.903734 -0.000000 0.000000\n0.000000 4.312322 0.000000\n0.000000 -0.000000 5.846829\nCr B Ru\n2 4 2\ndirect\n-0.000000 0.129628 0.683596 Cr\n-0.000000 0.870372 0.183596 Cr\n-0.000000 0.654021 0.528839 B\n-0.000000 0.345978 0.028839 B\n0.499999 0.868615 0.465570 B\n0.499999 0.131385 0.965570 B\n0.499999 0.362987 0.321995 Ru\n0.499999 0.637012 0.821996 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"B",
"Ru"
],
"chemical_system": "B-Cr-Ru",
"density": 7.92417412568509,
"density_atomic": 0.1092701609511277,
"volume": 73.21303391854698,
"volume_molar": 5.511239946551804,
"formula_full": "Cr2 B4 Ru2",
"formula_reduced": "CrB2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.490418266666667,
"spacegroup": 26
},
{
"id": "jvasp-41120",
"created_at": "2022-09-04T14:38:05.441100Z",
"updated_at": "2022-09-04T14:38:05.441118Z",
"structure_string": "Yb2 O4\n1.0\n4.058347 0.000000 0.000000\n0.000000 4.058347 0.000000\n0.000000 0.000000 4.444737\nYb O\n2 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.372698 0.372698 0.000000 O\n0.627303 0.627303 0.000000 O\n0.872698 0.127303 0.500000 O\n0.127303 0.872698 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 9.301879749488185,
"density_atomic": 0.08196092037707461,
"volume": 73.20562009792008,
"volume_molar": 7.347575810879328,
"formula_full": "Yb2 O4",
"formula_reduced": "YbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2470645,
"spacegroup": 136
},
{
"id": "jvasp-79188",
"created_at": "2022-09-04T14:37:02.184622Z",
"updated_at": "2022-09-04T14:37:02.184649Z",
"structure_string": "Mg3 Fe1\n1.0\n5.997029 0.051763 0.000000\n-1.476843 2.557968 0.000000\n-0.000000 0.000000 4.747602\nMg Fe\n3 1\ndirect\n0.660662 0.660662 0.250000 Mg\n0.323203 0.323203 0.750000 Mg\n0.855759 0.355759 0.750000 Mg\n0.160377 0.660377 0.250000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg",
"density": 2.921229199091321,
"density_atomic": 0.05465067858101721,
"volume": 73.19213784454986,
"volume_molar": 11.019333915630057,
"formula_full": "Mg3 Fe1",
"formula_reduced": "Mg3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5808522142857144,
"spacegroup": 25
},
{
"id": "jvasp-15645",
"created_at": "2022-09-04T14:36:08.499911Z",
"updated_at": "2022-09-04T14:36:08.499937Z",
"structure_string": "Ho1 Co2 Si2\n1.0\n3.642476 -0.000000 -1.346602\n-0.497832 3.608295 -1.346602\n-0.008794 -0.010091 5.575847\nHo Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250001 0.749999 0.500001 Co\n0.750001 0.250000 0.500001 Co\n0.628166 0.628164 0.256329 Si\n0.371837 0.371835 0.743672 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Si"
],
"chemical_system": "Co-Ho-Si",
"density": 7.691036526886483,
"density_atomic": 0.06831993609541441,
"volume": 73.18508016484513,
"volume_molar": 8.814617085691628,
"formula_full": "Ho1 Co2 Si2",
"formula_reduced": "Ho(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.872728913333334,
"spacegroup": 139
},
{
"id": "jvasp-107052",
"created_at": "2022-09-04T14:37:04.021806Z",
"updated_at": "2022-09-04T14:37:04.021832Z",
"structure_string": "Li2 Mg1 Hg1\n1.0\n4.066032 -0.000000 2.347525\n1.355344 3.833492 2.347525\n-0.000000 -0.000000 4.695049\nLi Mg Hg\n2 1 1\ndirect\n0.499999 0.500000 0.500000 Li\n0.749999 0.750000 0.749999 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 5.417963890070184,
"density_atomic": 0.054658097203458066,
"volume": 73.18220363783412,
"volume_molar": 11.017838285850528,
"formula_full": "Li2 Mg1 Hg1",
"formula_reduced": "Li2MgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1652341666666666,
"spacegroup": 216
},
{
"id": "jvasp-68454",
"created_at": "2022-09-04T14:35:53.164906Z",
"updated_at": "2022-09-04T14:35:53.164933Z",
"structure_string": "Li2 Be1 Cl1\n1.0\n-1.713672 1.713672 6.229583\n1.713672 -1.713672 6.229583\n1.713672 1.713672 -6.229583\nLi Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.749999 0.500000 Li\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Li",
"density": 1.3240202084800996,
"density_atomic": 0.054662013101555815,
"volume": 73.17696098327835,
"volume_molar": 11.017048985758255,
"formula_full": "Li2 Be1 Cl1",
"formula_reduced": "Li2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.744727541875,
"spacegroup": 119
},
{
"id": "jvasp-81061",
"created_at": "2022-09-04T14:37:11.185901Z",
"updated_at": "2022-09-04T14:37:11.185922Z",
"structure_string": "Nb1 Sn1 Ru2\n1.0\n-9.117269 -0.000000 -5.263858\n-5.843988 -1.158194 -0.405632\n-4.441107 2.809750 -2.835491\nNb Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 -0.000000 -0.000000 Sn\n0.769779 -0.000000 -0.000000 Ru\n0.230222 -0.000000 -0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Sn",
"Ru"
],
"chemical_system": "Nb-Ru-Sn",
"density": 9.389112824809958,
"density_atomic": 0.05466265831315199,
"volume": 73.17609723780281,
"volume_molar": 11.016918945837393,
"formula_full": "Nb1 Sn1 Ru2",
"formula_reduced": "NbSnRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8646355250000006,
"spacegroup": 71
},
{
"id": "jvasp-1885",
"created_at": "2022-09-04T14:36:10.158263Z",
"updated_at": "2022-09-04T14:36:10.158290Z",
"structure_string": "La1 Cu1 O2\n1.0\n3.647337 -0.005348 4.913331\n1.620503 3.267578 4.913331\n-0.008636 -0.005348 6.119135\nLa Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Cu\n0.893683 0.893683 0.893684 O\n0.106316 0.106316 0.106317 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cu",
"O"
],
"chemical_system": "Cu-La-O",
"density": 5.32047494513911,
"density_atomic": 0.05466515187336498,
"volume": 73.17275929766433,
"volume_molar": 11.016416407203334,
"formula_full": "La1 Cu1 O2",
"formula_reduced": "LaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9396056125,
"spacegroup": 166
},
{
"id": "jvasp-70252",
"created_at": "2022-09-04T14:36:02.313813Z",
"updated_at": "2022-09-04T14:36:02.313845Z",
"structure_string": "Na1 Be2 Te1\n1.0\n-2.028831 2.028831 4.444172\n2.028831 -2.028831 4.444172\n2.028831 2.028831 -4.444172\nNa Be Te\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Te"
],
"chemical_system": "Be-Na-Te",
"density": 3.8264890730404044,
"density_atomic": 0.05466601256763792,
"volume": 73.17160722214419,
"volume_molar": 11.016242958179621,
"formula_full": "Na1 Be2 Te1",
"formula_reduced": "NaBe2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1128397416666669,
"spacegroup": 139
}
]
}