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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226446

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-1226446
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 5
  • Element list: ['Cs', 'Mn', 'Zn', 'P', 'O']
  • Chemical System: Cs-Mn-O-P-Zn
  • Density: 3.235839959507928
  • Atomic Density: 0.0670884163941982
  • Unit Cell Volume: 819.8136572017281
  • Molar Volume: 8.976424073889445
  • Full Formula: Cs3 Mn1 Zn3 P12 O36
  • Reduced Formula: Cs3MnZn3(PO3)12
  • Formula Anonymous: AB3C3D12E36
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -399.43656448
  • Final energy per atom: -7.262482990545455
  • 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.