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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226438

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-1226438
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Cs', 'Sm', 'P', 'O']
  • Chemical System: Cs-O-P-Sm
  • Density: 3.3313952398548357
  • Atomic Density: 0.06027144627157395
  • Unit Cell Volume: 1791.893287467642
  • Molar Volume: 9.991697781508597
  • Full Formula: Cs6 Sm6 P24 O72
  • Reduced Formula: CsSm(PO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -835.74637136
  • Final energy per atom: -7.738392327407407
  • 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.