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  1. Third-Parties
  2. MatprojStructure
  3. mp-752778

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-752778
  • 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: 68
  • Number of elements: 6
  • Element list: ['Cs', 'Li', 'Mn', 'P', 'H', 'O']
  • Chemical System: Cs-H-Li-Mn-O-P
  • Density: 2.8348897597300033
  • Atomic Density: 0.06468036390182198
  • Unit Cell Volume: 1051.3237078136553
  • Molar Volume: 9.310616695263153
  • Full Formula: Cs4 Li4 Mn4 P12 H4 O40
  • Reduced Formula: CsLiMnP3HO10
  • Formula Anonymous: ABCDE3F10
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -493.96923803
  • Final energy per atom: -7.264253500441177
  • 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.