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  1. Third-Parties
  2. MatprojStructure
  3. mp-18199

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-18199
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Sr', 'Ta', 'As', 'O']
  • Chemical System: As-O-Sr-Ta
  • Density: 4.994862306750277
  • Atomic Density: 0.035151610505019006
  • Unit Cell Volume: 910.3423581525798
  • Molar Volume: 17.131905689328654
  • Full Formula: Sr12 Ta4 As12 O4
  • Reduced Formula: Sr3TaAs3O
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -193.13655606
  • Final energy per atom: -6.035517376875
  • 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.