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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204881

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-1204881
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['Cs', 'Mn', 'Ga', 'P', 'H', 'O']
  • Chemical System: Cs-Ga-H-Mn-O-P
  • Density: 3.503352459058761
  • Atomic Density: 0.08136597662555373
  • Unit Cell Volume: 614.5074645892844
  • Molar Volume: 7.401300899654773
  • Full Formula: Cs2 Mn2 Ga4 P6 H8 O28
  • Reduced Formula: CsMnGa2P3(H2O7)2
  • Formula Anonymous: ABC2D3E4F14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -344.69280323
  • Final energy per atom: -6.8938560645999996
  • 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.