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  1. Third-Parties
  2. MatprojStructure
  3. mp-557498

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-557498
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Na', 'Bi', 'Au', 'O']
  • Chemical System: Au-Bi-Na-O
  • Density: 8.340610298867656
  • Atomic Density: 0.06296783128356372
  • Unit Cell Volume: 571.720500232584
  • Molar Volume: 9.563837021606203
  • Full Formula: Na4 Bi8 Au4 O20
  • Reduced Formula: NaBi2AuO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -199.3581063
  • Final energy per atom: -5.537725175
  • 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.