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  1. Third-Parties
  2. MatprojStructure
  3. mp-685318

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-685318
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 3
  • Element list: ['Bi', 'As', 'O']
  • Chemical System: As-Bi-O
  • Density: 8.534161545631628
  • Atomic Density: 0.05837609295466976
  • Unit Cell Volume: 2809.3692417433517
  • Molar Volume: 10.316107939385933
  • Full Formula: Bi60 As4 O100
  • Reduced Formula: Bi15AsO25
  • Formula Anonymous: AB15C25
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -1019.37222761
  • Final energy per atom: -6.215684314695122
  • 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.