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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196917

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-1196917
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['B', 'Mo', 'Pb', 'O']
  • Chemical System: B-Mo-O-Pb
  • Density: 7.140911000012802
  • Atomic Density: 0.05815953655032863
  • Unit Cell Volume: 722.1515591627025
  • Molar Volume: 10.354519855550624
  • Full Formula: B4 Mo2 Pb12 O24
  • Reduced Formula: B2Mo(PbO2)6
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -294.59842373
  • Final energy per atom: -7.014248184047618
  • 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.