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  1. Third-Parties
  2. MatprojStructure
  3. mp-705127

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-705127
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Mo', 'P', 'Pb', 'Br', 'O']
  • Chemical System: Br-Mo-O-P-Pb
  • Density: 4.710342913973272
  • Atomic Density: 0.06402005526583027
  • Unit Cell Volume: 1437.0496810411785
  • Molar Volume: 9.406647237329436
  • Full Formula: Mo8 P12 Pb8 Br4 O60
  • Reduced Formula: Mo2P3Pb2BrO15
  • Formula Anonymous: AB2C2D3E15
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -671.14332762
  • Final energy per atom: -7.295036169782609
  • 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.