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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212702

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-1212702
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 5
  • Element list: ['Fe', 'As', 'H', 'Pb', 'O']
  • Chemical System: As-Fe-H-O-Pb
  • Density: 5.0869129671323545
  • Atomic Density: 0.08256607442335401
  • Unit Cell Volume: 205.89570375882508
  • Molar Volume: 7.293722999499445
  • Full Formula: Fe2 As2 H2 Pb1 O10
  • Reduced Formula: Fe2As2H2PbO10
  • Formula Anonymous: AB2C2D2E10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -113.93952792
  • Final energy per atom: -6.702325171764706
  • 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.