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=nelements&page=1217",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1215",
"results": [
{
"id": "jvasp-106859",
"created_at": "2022-09-04T14:36:57.044103Z",
"updated_at": "2022-09-04T14:36:57.044112Z",
"structure_string": "Cr2 Hg1 S4\n1.0\n8.207345 -0.165616 0.776068\n7.704049 2.834707 0.776068\n-0.424652 -0.071234 5.520727\nCr Hg S\n2 1 4\ndirect\n0.755063 0.755062 0.197579 Cr\n0.244937 0.244939 0.802423 Cr\n0.500000 0.500001 0.500001 Hg\n0.350117 0.350117 0.065940 S\n0.649883 0.649884 0.934061 S\n0.823638 0.823638 0.571456 S\n0.176362 0.176363 0.428545 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"S"
],
"chemical_system": "Cr-Hg-S",
"density": 5.265477558168955,
"density_atomic": 0.051281074082912555,
"volume": 136.50260110937265,
"volume_molar": 11.743398256953917,
"formula_full": "Cr2 Hg1 S4",
"formula_reduced": "Cr2HgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.446977057142857,
"spacegroup": 12
},
{
"id": "jvasp-107578",
"created_at": "2022-09-04T14:36:57.053242Z",
"updated_at": "2022-09-04T14:36:57.053261Z",
"structure_string": "Mg2 In2 Se6\n1.0\n7.001001 -0.091832 1.220268\n-3.756588 5.908510 1.220268\n0.479327 0.859351 6.688047\nMg In Se\n2 2 6\ndirect\n0.670391 0.329609 0.000000 Mg\n0.329609 0.670391 0.000000 Mg\n0.837071 0.837071 0.346433 In\n0.162929 0.162929 0.653568 In\n0.513196 0.874480 0.264143 Se\n0.486805 0.125520 0.735858 Se\n0.125520 0.486804 0.735858 Se\n0.874480 0.513196 0.264143 Se\n0.749566 0.749566 0.775036 Se\n0.250434 0.250434 0.224965 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"In",
"Se"
],
"chemical_system": "In-Mg-Se",
"density": 4.811032372435224,
"density_atomic": 0.03852723802434291,
"volume": 259.55662831790943,
"volume_molar": 15.630865509214525,
"formula_full": "Mg2 In2 Se6",
"formula_reduced": "MgInSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4632378239999999,
"spacegroup": 12
},
{
"id": "jvasp-102846",
"created_at": "2022-09-04T14:36:57.053535Z",
"updated_at": "2022-09-04T14:36:57.053544Z",
"structure_string": "Tl2 Co2 O6\n1.0\n4.715297 0.064945 3.580232\n1.813217 4.353216 3.580232\n0.095967 0.064945 5.919702\nTl Co O\n2 2 6\ndirect\n0.872855 0.872857 0.872851 Tl\n0.127146 0.127146 0.127145 Tl\n0.662161 0.662163 0.662158 Co\n0.337839 0.337840 0.337838 Co\n0.321076 0.531142 0.941502 O\n0.941505 0.321077 0.531138 O\n0.531141 0.941506 0.321073 O\n0.468860 0.058497 0.678924 O\n0.058496 0.678926 0.468858 O\n0.678925 0.468861 0.058494 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Co",
"O"
],
"chemical_system": "Co-O-Tl",
"density": 8.7126404166841,
"density_atomic": 0.08426962787392475,
"volume": 118.66671601969021,
"volume_molar": 7.146276673975214,
"formula_full": "Tl2 Co2 O6",
"formula_reduced": "TlCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9127388,
"spacegroup": 148
},
{
"id": "jvasp-4690",
"created_at": "2022-09-04T14:36:57.055331Z",
"updated_at": "2022-09-04T14:36:57.055358Z",
"structure_string": "Zn1 Re2 O8\n1.0\n2.903558 -5.029112 0.000000\n2.903559 5.029111 0.000000\n-0.000000 0.000000 6.070679\nZn Re O\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.710026 Re\n0.666667 0.333333 0.289975 Re\n0.666667 0.333333 0.576558 O\n0.333333 0.666667 0.423442 O\n0.833019 0.169310 0.195908 O\n0.663709 0.833019 0.804092 O\n0.169309 0.336291 0.804092 O\n0.166981 0.830691 0.804092 O\n0.336291 0.166981 0.195908 O\n0.830691 0.663709 0.195908 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zn",
"Re",
"O"
],
"chemical_system": "O-Re-Zn",
"density": 5.299524453074863,
"density_atomic": 0.06204454089910609,
"volume": 177.2919879911382,
"volume_molar": 9.706157339116947,
"formula_full": "Zn1 Re2 O8",
"formula_reduced": "Zn(ReO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.323672218181818,
"spacegroup": 164
},
{
"id": "jvasp-106713",
"created_at": "2022-09-04T14:36:57.058612Z",
"updated_at": "2022-09-04T14:36:57.058637Z",
"structure_string": "Ti3 B4 Mo1\n1.0\n3.052029 -0.000000 0.000000\n0.000000 4.547723 0.028775\n-0.000000 -0.000777 6.041185\nTi B Mo\n3 4 1\ndirect\n0.500000 0.875819 0.175032 Ti\n-0.000000 0.380584 0.328033 Ti\n-0.000000 0.117952 0.822732 Ti\n0.500000 0.101243 0.529354 B\n0.500000 0.398898 0.029138 B\n-0.000000 0.901633 0.468913 B\n-0.000000 0.601561 0.968880 B\n0.500000 0.622305 0.677911 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"B",
"Mo"
],
"chemical_system": "B-Mo-Ti",
"density": 5.6001584843668955,
"density_atomic": 0.09540801013581436,
"volume": 83.85040195903794,
"volume_molar": 6.311986542248828,
"formula_full": "Ti3 B4 Mo1",
"formula_reduced": "Ti3B4Mo",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.049288904166668,
"spacegroup": 6
},
{
"id": "jvasp-15334",
"created_at": "2022-09-04T14:36:57.061379Z",
"updated_at": "2022-09-04T14:36:57.061398Z",
"structure_string": "Nd2 Fe2 Si4\n1.0\n4.026261 -0.000000 -0.000000\n0.000000 3.997448 -0.963400\n-0.000000 -0.007210 8.745113\nNd Fe Si\n2 2 4\ndirect\n0.250000 0.892948 0.785895 Nd\n0.750000 0.107053 0.214105 Nd\n0.750000 0.749483 0.498963 Fe\n0.250000 0.250518 0.501036 Fe\n0.250000 0.689347 0.378694 Si\n0.750000 0.310653 0.621306 Si\n0.750000 0.461522 0.923042 Si\n0.250000 0.538479 0.076958 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Si"
],
"chemical_system": "Fe-Nd-Si",
"density": 6.047733629249069,
"density_atomic": 0.05684943019442847,
"volume": 140.72260658795557,
"volume_molar": 10.593141812334649,
"formula_full": "Nd2 Fe2 Si4",
"formula_reduced": "NdFeSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.67084855,
"spacegroup": 63
},
{
"id": "jvasp-105254",
"created_at": "2022-09-04T14:36:57.061915Z",
"updated_at": "2022-09-04T14:36:57.061942Z",
"structure_string": "Sr2 Mg1 Tl1\n1.0\n4.999195 -0.000000 2.886287\n1.666398 4.713286 2.886287\n-0.000000 -0.000000 5.772573\nSr Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750001 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Tl"
],
"chemical_system": "Mg-Sr-Tl",
"density": 4.931284680596331,
"density_atomic": 0.029408081072255014,
"volume": 136.01703525544858,
"volume_molar": 20.47784330165485,
"formula_full": "Sr2 Mg1 Tl1",
"formula_reduced": "Sr2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18809",
"created_at": "2022-09-04T14:36:57.064376Z",
"updated_at": "2022-09-04T14:36:57.064386Z",
"structure_string": "Li4 Zr1 Ge2\n1.0\n4.658511 0.326378 6.020824\n2.287915 4.071081 6.020824\n0.515562 0.326378 7.595146\nLi Zr Ge\n4 1 2\ndirect\n0.926036 0.926039 0.926039 Li\n0.747301 0.747303 0.747303 Li\n0.073961 0.073962 0.073962 Li\n0.252697 0.252698 0.252698 Li\n0.499999 0.500000 0.500000 Zr\n0.622958 0.622960 0.622960 Ge\n0.377040 0.377041 0.377041 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Ge"
],
"chemical_system": "Ge-Li-Zr",
"density": 3.594309921474462,
"density_atomic": 0.057335009167832546,
"volume": 122.08945462116202,
"volume_molar": 10.503426872003859,
"formula_full": "Li4 Zr1 Ge2",
"formula_reduced": "Li4ZrGe2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4052394857142856,
"spacegroup": 166
},
{
"id": "jvasp-106583",
"created_at": "2022-09-04T14:36:57.074322Z",
"updated_at": "2022-09-04T14:36:57.074343Z",
"structure_string": "Pr1 Ag1 Au2\n1.0\n4.340763 -0.000000 2.506141\n1.446921 4.092511 2.506141\n-0.000000 -0.000000 5.012282\nPr Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ag\n0.749999 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Pr",
"density": 11.985938463232104,
"density_atomic": 0.044922980657756746,
"volume": 89.04128669630761,
"volume_molar": 13.405479048416995,
"formula_full": "Pr1 Ag1 Au2",
"formula_reduced": "PrAgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4097905625,
"spacegroup": 225
},
{
"id": "jvasp-55518",
"created_at": "2022-09-04T14:36:57.087046Z",
"updated_at": "2022-09-04T14:36:57.087065Z",
"structure_string": "Na4 Sb4 O12\n1.0\n6.345940 -0.000000 3.663830\n2.115314 5.983010 3.663830\n0.000000 0.000000 7.327662\nNa Sb O\n4 4 12\ndirect\n-0.000000 0.500000 0.000000 Na\n0.500000 0.000000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.578092 0.171907 0.171907 O\n0.171907 0.171907 0.578092 O\n0.421907 0.828093 0.828093 O\n0.578092 0.171907 0.578092 O\n0.171907 0.578093 0.171908 O\n0.421907 0.828093 0.421908 O\n0.421907 0.421907 0.828092 O\n0.828092 0.828093 0.421908 O\n0.828092 0.421907 0.828092 O\n0.171907 0.578093 0.578093 O\n0.828092 0.421907 0.421907 O\n0.578092 0.578093 0.171908 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Sb",
"O"
],
"chemical_system": "Na-O-Sb",
"density": 4.601694478510696,
"density_atomic": 0.07188675449396387,
"volume": 278.21537000504514,
"volume_molar": 8.377260598829318,
"formula_full": "Na4 Sb4 O12",
"formula_reduced": "NaSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3936091199999998,
"spacegroup": 227
},
{
"id": "jvasp-15249",
"created_at": "2022-09-04T14:36:57.090494Z",
"updated_at": "2022-09-04T14:36:57.090522Z",
"structure_string": "Nd1 Si2 Rh2\n1.0\n3.856472 -0.000000 -1.450040\n-0.545218 3.817737 -1.450040\n0.004346 0.005010 5.864841\nNd Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.624858 0.624859 0.249715 Si\n0.375142 0.375142 0.750285 Si\n0.250000 0.750001 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Rh"
],
"chemical_system": "Nd-Rh-Si",
"density": 7.80693382539392,
"density_atomic": 0.057867647427004114,
"volume": 86.40406552395518,
"volume_molar": 10.406748896430427,
"formula_full": "Nd1 Si2 Rh2",
"formula_reduced": "Nd(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.70956094,
"spacegroup": 139
},
{
"id": "jvasp-102480",
"created_at": "2022-09-04T14:36:57.100969Z",
"updated_at": "2022-09-04T14:36:57.100990Z",
"structure_string": "Er2 Ag1 Pt1\n1.0\n4.293188 -0.000000 2.478673\n1.431063 4.047656 2.478673\n-0.000000 -0.000000 4.957346\nEr Ag Pt\n2 1 1\ndirect\n0.750000 0.750001 0.749999 Er\n0.250000 0.250000 0.250000 Er\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Ag",
"Pt"
],
"chemical_system": "Ag-Er-Pt",
"density": 12.287859886621941,
"density_atomic": 0.046433054848347435,
"volume": 86.14552742791079,
"volume_molar": 12.969512300382988,
"formula_full": "Er2 Ag1 Pt1",
"formula_reduced": "Er2AgPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.049149665,
"spacegroup": 225
}
]
}