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  1. Third-Parties
  2. MatprojStructure
  3. mp-831046

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-831046
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-Li-Mn-O-P
  • Density: 2.556010541501536
  • Atomic Density: 0.08802559000774945
  • Unit Cell Volume: 454.41331317948044
  • Molar Volume: 6.841352337961985
  • Full Formula: Li4 Mn4 P4 H8 O20
  • Reduced Formula: LiMnPH2O5
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -277.59643591
  • Final energy per atom: -6.939910897750001
  • 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.