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  1. Third-Parties
  2. MatprojStructure
  3. mp-559824

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-559824
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Au', 'Se', 'O']
  • Chemical System: Au-O-Se
  • Density: 5.301026280818231
  • Atomic Density: 0.06055242469228716
  • Unit Cell Volume: 495.4384593590228
  • Molar Volume: 9.945333800591914
  • Full Formula: Au4 Se6 O20
  • Reduced Formula: Au2Se3O10
  • Formula Anonymous: A2B3C10
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -160.21194626000002
  • Final energy per atom: -5.3403982086666675
  • 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.