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  1. Third-Parties
  2. MatprojStructure
  3. mp-505145

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-505145
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ag', 'Bi', 'O']
  • Chemical System: Ag-Bi-O
  • Density: 8.276325591559287
  • Atomic Density: 0.06009274535265409
  • Unit Cell Volume: 931.8928544762629
  • Molar Volume: 10.021410612311163
  • Full Formula: Ag24 Bi8 O24
  • Reduced Formula: Ag3BiO3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 80
  • Spacegroup Symbol: I4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -261.97504224
  • Final energy per atom: -4.678125754285714
  • 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.