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  1. Third-Parties
  2. MatprojStructure
  3. mp-690946

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-690946
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Yb', 'Zr', 'Si', 'P', 'O']
  • Chemical System: O-P-Si-Yb-Zr
  • Density: 4.685192935066993
  • Atomic Density: 0.0873097461054698
  • Unit Cell Volume: 1099.5336062944498
  • Molar Volume: 6.897443903599582
  • Full Formula: Yb2 Zr14 Si14 P2 O64
  • Reduced Formula: YbZr7Si7PO32
  • Formula Anonymous: ABC7D7E32
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -859.16064508
  • Final energy per atom: -8.949590052916667
  • 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.