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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214030

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-1214030
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 4
  • Element list: ['Cd', 'Fe', 'P', 'O']
  • Chemical System: Cd-Fe-O-P
  • Density: 4.126754871164554
  • Atomic Density: 0.07802974580812365
  • Unit Cell Volume: 1102.1437928488879
  • Molar Volume: 7.717750067786377
  • Full Formula: Cd10 Fe4 P16 O56
  • Reduced Formula: Cd5Fe2(P2O7)4
  • Formula Anonymous: A2B5C8D28
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -610.14962975
  • Final energy per atom: -7.094763136627908
  • 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.