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=48",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=46",
"results": [
{
"id": "jvasp-100647",
"created_at": "2022-09-04T14:36:40.913884Z",
"updated_at": "2022-09-04T14:36:40.913912Z",
"structure_string": "Na1 Pr2 Cl6\n1.0\n7.926981 0.000000 0.000000\n-3.963491 6.864967 0.000000\n0.000000 0.000000 3.931630\nNa Pr Cl\n1 2 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.748679 Pr\n0.333333 0.666667 0.251320 Pr\n0.076172 0.698763 0.750835 Cl\n0.301237 0.377408 0.750835 Cl\n0.622592 0.923829 0.750835 Cl\n0.923829 0.301237 0.249165 Cl\n0.698763 0.622592 0.249165 Cl\n0.377408 0.076171 0.249165 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Pr",
"Cl"
],
"chemical_system": "Cl-Na-Pr",
"density": 4.016612170527891,
"density_atomic": 0.04206526197978656,
"volume": 213.95326158493276,
"volume_molar": 14.316185081395176,
"formula_full": "Na1 Pr2 Cl6",
"formula_reduced": "NaPr2Cl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2496265948148148,
"spacegroup": 147
},
{
"id": "jvasp-100648",
"created_at": "2022-09-04T14:36:34.606033Z",
"updated_at": "2022-09-04T14:36:34.606054Z",
"structure_string": "Mn1 Pt2\n1.0\n2.731468 0.000000 0.000000\n-1.365735 2.365521 -0.000000\n0.000000 -0.000000 6.601049\nMn Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666667 0.687210 Pt\n0.666668 0.333333 0.312790 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 17.329127957542376,
"density_atomic": 0.07033724817943253,
"volume": 42.651654388680456,
"volume_molar": 8.561808879183516,
"formula_full": "Mn1 Pt2",
"formula_reduced": "MnPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.807960013793104,
"spacegroup": 164
},
{
"id": "jvasp-100649",
"created_at": "2022-09-04T14:36:43.957218Z",
"updated_at": "2022-09-04T14:36:43.957235Z",
"structure_string": "Mn2 Cr2 Si4\n1.0\n4.562257 0.000000 0.000000\n0.000000 4.593507 0.051033\n0.000000 -0.010846 4.587364\nMn Cr Si\n2 2 4\ndirect\n0.363146 0.862244 0.385240 Mn\n0.863147 0.137756 0.614758 Mn\n0.636435 0.632704 0.891238 Cr\n0.136435 0.367296 0.108761 Cr\n0.345651 0.342870 0.591450 Si\n0.845652 0.657130 0.408548 Si\n0.654770 0.149114 0.097292 Si\n0.154769 0.850886 0.902706 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"Si"
],
"chemical_system": "Cr-Mn-Si",
"density": 5.634404412053481,
"density_atomic": 0.08321301324952561,
"volume": 96.1388091548963,
"volume_molar": 7.237018015369526,
"formula_full": "Mn2 Cr2 Si4",
"formula_reduced": "MnCrSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.754882960344827,
"spacegroup": 4
},
{
"id": "jvasp-10065",
"created_at": "2022-09-04T14:38:14.904041Z",
"updated_at": "2022-09-04T14:38:14.904071Z",
"structure_string": "Ca2 Mo4 O8\n1.0\n6.206918 -0.511633 -0.279658\n2.660373 5.631165 -0.279658\n2.727424 1.574679 4.453864\nCa Mo O\n2 4 8\ndirect\n0.125000 0.625000 0.624999 Ca\n0.625000 0.125001 0.624999 Ca\n0.044534 0.044535 0.955464 Mo\n0.205465 0.205465 0.294534 Mo\n0.625000 0.625000 0.124999 Mo\n0.625000 0.625000 0.624999 Mo\n0.390919 0.390919 0.339136 O\n0.412338 0.872580 0.357540 O\n0.390919 0.390919 0.879025 O\n0.872580 0.412339 0.357540 O\n0.377420 0.837662 0.892458 O\n0.837662 0.377421 0.892458 O\n0.859081 0.859081 0.370972 O\n0.859081 0.859081 0.910861 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"O"
],
"chemical_system": "Ca-Mo-O",
"density": 5.8511811478193625,
"density_atomic": 0.08334238496457753,
"volume": 167.98175389329606,
"volume_molar": 7.225784050407907,
"formula_full": "Ca2 Mo4 O8",
"formula_reduced": "Ca(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.16584946,
"spacegroup": 74
},
{
"id": "jvasp-100650",
"created_at": "2022-09-04T14:36:35.545943Z",
"updated_at": "2022-09-04T14:36:35.545963Z",
"structure_string": "Li2 In2 O4\n1.0\n4.014908 -0.016844 -3.889458\n-0.731759 3.947695 -3.889458\n0.014068 0.016844 5.589917\nLi In O\n2 2 4\ndirect\n0.257543 0.757543 0.500001 Li\n0.507543 0.507544 0.000001 Li\n0.757462 0.257462 0.500001 In\n0.007461 0.007461 0.000000 In\n0.993610 0.493610 0.500001 O\n0.771288 0.771289 0.000001 O\n0.521288 0.021287 0.500000 O\n0.243609 0.243610 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"In",
"O"
],
"chemical_system": "In-Li-O",
"density": 5.733866241314293,
"density_atomic": 0.08982997835853447,
"volume": 89.05712932569068,
"volume_molar": 6.703932106010414,
"formula_full": "Li2 In2 O4",
"formula_reduced": "LiInO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7829917425,
"spacegroup": 141
},
{
"id": "jvasp-100651",
"created_at": "2022-09-04T14:36:47.146392Z",
"updated_at": "2022-09-04T14:36:47.146416Z",
"structure_string": "La1 Fe1 Si2 Rh1\n1.0\n3.856513 0.000484 -4.397884\n-0.545871 3.817684 -4.397884\n-0.000420 -0.000484 5.849280\nLa Fe Si Rh\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.749999 0.500000 Fe\n0.635813 0.635812 -0.000001 Si\n0.364186 0.364185 -0.000000 Si\n0.749999 0.249999 0.500000 Rh\n",
"nsites": 5,
"nelements": 4,
"elements": [
"La",
"Fe",
"Si",
"Rh"
],
"chemical_system": "Fe-La-Rh-Si",
"density": 6.823667695906782,
"density_atomic": 0.058069467370472645,
"volume": 86.10376892388058,
"volume_molar": 10.37058032852245,
"formula_full": "La1 Fe1 Si2 Rh1",
"formula_reduced": "LaFeSi2Rh",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.9204161399999995,
"spacegroup": 119
},
{
"id": "jvasp-100652",
"created_at": "2022-09-04T14:36:47.590720Z",
"updated_at": "2022-09-04T14:36:47.590741Z",
"structure_string": "La1 Fe1 Ge1\n1.0\n4.218825 0.000000 0.000000\n-2.109412 3.653609 -0.000000\n0.000000 0.000000 4.246663\nLa Fe Ge\n1 1 1\ndirect\n0.333333 0.666667 0.000000 La\n0.666666 0.333333 0.500000 Fe\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"La",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-La",
"density": 6.783184728187541,
"density_atomic": 0.04583105738399468,
"volume": 65.45779589732253,
"volume_molar": 13.139868691100892,
"formula_full": "La1 Fe1 Ge1",
"formula_reduced": "LaFeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6770054833333328,
"spacegroup": 187
},
{
"id": "jvasp-100654",
"created_at": "2022-09-04T14:36:36.280180Z",
"updated_at": "2022-09-04T14:36:36.280194Z",
"structure_string": "La2 Fe1 Si3\n1.0\n4.083796 0.000000 -0.000000\n-2.041898 3.536670 0.000000\n0.000000 -0.000000 8.801490\nLa Fe Si\n2 1 3\ndirect\n0.666668 0.333333 0.741870 La\n0.666668 0.333333 0.258130 La\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.500000 Si\n0.333333 0.666667 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Fe",
"Si"
],
"chemical_system": "Fe-La-Si",
"density": 5.459082010310448,
"density_atomic": 0.04719939942132516,
"volume": 127.120261561827,
"volume_molar": 12.75893514288899,
"formula_full": "La2 Fe1 Si3",
"formula_reduced": "La2FeSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.983561883333333,
"spacegroup": 187
},
{
"id": "jvasp-100655",
"created_at": "2022-09-04T14:36:36.601201Z",
"updated_at": "2022-09-04T14:36:36.601210Z",
"structure_string": "Ho1 Mn1 In1\n1.0\n4.728300 -0.000000 0.000000\n-2.364150 4.094829 0.000000\n0.000000 0.000000 3.477828\nHo Mn In\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"In"
],
"chemical_system": "Ho-In-Mn",
"density": 8.253501288507778,
"density_atomic": 0.044552528938020905,
"volume": 67.33624491156135,
"volume_molar": 13.51694483690854,
"formula_full": "Ho1 Mn1 In1",
"formula_reduced": "HoMnIn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5074275926819918,
"spacegroup": 187
},
{
"id": "jvasp-100656",
"created_at": "2022-09-04T14:36:36.828062Z",
"updated_at": "2022-09-04T14:36:36.828074Z",
"structure_string": "Ho1 Bi1 Te3\n1.0\n4.274666 -0.009087 9.867485\n2.038167 3.757490 9.867485\n-0.015303 -0.009087 10.753595\nHo Bi Te\n1 1 3\ndirect\n0.398722 0.398720 0.398721 Ho\n0.600595 0.600592 0.600593 Bi\n0.783399 0.783395 0.783396 Te\n0.212501 0.212500 0.212501 Te\n0.004790 0.004790 0.004790 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Bi",
"Te"
],
"chemical_system": "Bi-Ho-Te",
"density": 7.234308146969632,
"density_atomic": 0.02878644429493571,
"volume": 173.69286559923037,
"volume_molar": 20.92005771292654,
"formula_full": "Ho1 Bi1 Te3",
"formula_reduced": "HoBiTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9100286333333334,
"spacegroup": 160
},
{
"id": "jvasp-100657",
"created_at": "2022-09-04T14:36:51.592239Z",
"updated_at": "2022-09-04T14:36:51.592271Z",
"structure_string": "Hf1 U3 S3\n1.0\n5.307542 0.000000 0.000000\n0.000000 5.307542 -0.000000\n-0.000000 0.000000 5.307542\nHf U S\n1 3 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 S\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Hf",
"U",
"S"
],
"chemical_system": "Hf-S-U",
"density": 10.981579750106668,
"density_atomic": 0.046818524364175954,
"volume": 149.51346918904983,
"volume_molar": 12.862730813891156,
"formula_full": "Hf1 U3 S3",
"formula_reduced": "Hf(US)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.607858714285714,
"spacegroup": 221
},
{
"id": "jvasp-100658",
"created_at": "2022-09-04T14:36:37.884692Z",
"updated_at": "2022-09-04T14:36:37.884716Z",
"structure_string": "Hf1 In1 Pd2\n1.0\n3.389398 -0.000000 0.000000\n-0.000000 3.389398 0.000000\n-0.000000 0.000000 6.433540\nHf In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 In\n0.500000 0.500000 0.225069 Pd\n0.500000 0.500000 0.774931 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Pd"
],
"chemical_system": "Hf-In-Pd",
"density": 11.37185934441275,
"density_atomic": 0.05412087982063834,
"volume": 73.90862848601823,
"volume_molar": 11.127204103033687,
"formula_full": "Hf1 In1 Pd2",
"formula_reduced": "HfInPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9185585925000004,
"spacegroup": 123
}
]
}