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  1. Third-Parties
  2. MatprojStructure
  3. mp-767410

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-767410
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Bi', 'P', 'O']
  • Chemical System: Bi-O-P
  • Density: 7.325328072599115
  • Atomic Density: 0.06521480655810839
  • Unit Cell Volume: 705.361288759058
  • Molar Volume: 9.234315146874028
  • Full Formula: Bi12 P4 O30
  • Reduced Formula: Bi6P2O15
  • Formula Anonymous: A2B6C15
  • Spacegroup Number: 37
  • Spacegroup Symbol: Ccc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -306.01659598000003
  • Final energy per atom: -6.652534695217392
  • 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.