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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211629

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1211629
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['La', 'Nb', 'S', 'O']
  • Chemical System: La-Nb-O-S
  • Density: 5.385695397455756
  • Atomic Density: 0.06498334410699208
  • Unit Cell Volume: 923.3135170946691
  • Molar Volume: 9.26720660925794
  • Full Formula: La8 Nb12 S8 O32
  • Reduced Formula: La2Nb3(SO4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -537.33904589
  • Final energy per atom: -8.955650764833333
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.