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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201658

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-1201658
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 6
  • Element list: ['Mn', 'Al', 'P', 'H', 'O', 'F']
  • Chemical System: Al-F-H-Mn-O-P
  • Density: 2.403634519955479
  • Atomic Density: 0.10171783018467213
  • Unit Cell Volume: 589.8670851616475
  • Molar Volume: 5.9204376942239145
  • Full Formula: Mn2 Al4 P4 H20 O26 F4
  • Reduced Formula: MnAl2P2H10O13F2
  • Formula Anonymous: AB2C2D2E10F13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -389.88232926
  • Final energy per atom: -6.498038821
  • 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.