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  1. Third-Parties
  2. MatprojStructure
  3. mp-850407

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-850407
  • 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: 50
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-Li-Mn-O-P
  • Density: 1.8821624294263943
  • Atomic Density: 0.10695400658546865
  • Unit Cell Volume: 467.49066815037173
  • Molar Volume: 5.630589215175974
  • Full Formula: Li2 Mn2 P2 H24 O20
  • Reduced Formula: LiMnP(H6O5)2
  • Formula Anonymous: ABCD10E12
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -294.46826401000004
  • Final energy per atom: -5.889365280200001
  • 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.