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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229321

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-1229321
  • 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: 168
  • Number of elements: 4
  • Element list: ['Cs', 'Mg', 'P', 'O']
  • Chemical System: Cs-Mg-O-P
  • Density: 2.853606949697539
  • Atomic Density: 0.061043248089470384
  • Unit Cell Volume: 2752.147129421494
  • Molar Volume: 9.865367503337009
  • Full Formula: Cs12 Mg12 P36 O108
  • Reduced Formula: CsMg(PO3)3
  • Formula Anonymous: ABC3D9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -1231.23654059
  • Final energy per atom: -7.3287889320833335
  • 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.