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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199240

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-1199240
  • 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: 104
  • Number of elements: 5
  • Element list: ['Cs', 'Mo', 'P', 'H', 'O']
  • Chemical System: Cs-H-Mo-O-P
  • Density: 3.6335832209332395
  • Atomic Density: 0.057437302941070266
  • Unit Cell Volume: 1810.6699770827036
  • Molar Volume: 10.484720646055784
  • Full Formula: Cs10 Mo16 P2 H12 O64
  • Reduced Formula: Cs5Mo8P(H3O16)2
  • Formula Anonymous: AB5C6D8E32
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -759.5871075
  • Final energy per atom: -7.3037221875
  • 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.