Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222576

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-1222576
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 6
  • Element list: ['Mn', 'Al', 'Fe', 'P', 'H', 'O']
  • Chemical System: Al-Fe-H-Mn-O-P
  • Density: 2.822357957602803
  • Atomic Density: 0.10384261959064478
  • Unit Cell Volume: 539.27761280249
  • Molar Volume: 5.799295880381024
  • Full Formula: Mn3 Al4 Fe1 P4 H16 O28
  • Reduced Formula: Mn3Al4FeP4(H4O7)4
  • Formula Anonymous: AB3C4D4E16F28
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -384.26600072
  • Final energy per atom: -6.86189287
  • 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.