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  1. Third-Parties
  2. MatprojStructure
  3. mp-758957

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-758957
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 4
  • Element list: ['As', 'H', 'Pb', 'F']
  • Chemical System: As-F-H-Pb
  • Density: 4.105126239974452
  • Atomic Density: 0.06946229972181986
  • Unit Cell Volume: 1957.8965934708172
  • Molar Volume: 8.66965358779835
  • Full Formula: As16 H8 Pb8 F104
  • Reduced Formula: As2HPbF13
  • Formula Anonymous: ABC2D13
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -660.02651601
  • Final energy per atom: -4.8531361471323535
  • 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.