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  1. Third-Parties
  2. MatprojStructure
  3. mp-690951

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-690951
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['Er', 'Zr', 'Si', 'P', 'O']
  • Chemical System: Er-O-P-Si-Zr
  • Density: 4.6287634860343765
  • Atomic Density: 0.08808027937729059
  • Unit Cell Volume: 1634.8721986130188
  • Molar Volume: 6.837104517123803
  • Full Formula: Er2 Zr22 Si22 P2 O96
  • Reduced Formula: ErZr11Si11PO48
  • Formula Anonymous: ABC11D11E48
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1313.12764274
  • Final energy per atom: -9.118941963472222
  • 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.