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  1. Third-Parties
  2. MatprojStructure
  3. mp-581532

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-581532
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 4
  • Element list: ['Cs', 'Fe', 'P', 'O']
  • Chemical System: Cs-Fe-O-P
  • Density: 3.5570222565725937
  • Atomic Density: 0.06248839609269191
  • Unit Cell Volume: 2048.3803074435086
  • Molar Volume: 9.637214485497566
  • Full Formula: Cs12 Fe16 P20 O80
  • Reduced Formula: Cs3Fe4(PO4)5
  • Formula Anonymous: A3B4C5D20
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -961.96354841
  • Final energy per atom: -7.515340221953125
  • 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.