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  1. Third-Parties
  2. MatprojStructure
  3. mp-540760

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-540760
  • 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: 40
  • Number of elements: 3
  • Element list: ['Fe', 'P', 'Cl']
  • Chemical System: Cl-Fe-P
  • Density: 1.92966088472641
  • Atomic Density: 0.031369730125552935
  • Unit Cell Volume: 1275.114571910744
  • Molar Volume: 19.197298592934107
  • Full Formula: Fe4 P4 Cl32
  • Reduced Formula: FePCl8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -162.85590428
  • Final energy per atom: -4.071397607
  • 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.