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  1. Third-Parties
  2. MatprojStructure
  3. mp-578953

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-578953
  • 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: 104
  • Number of elements: 4
  • Element list: ['Yb', 'Zr', 'P', 'O']
  • Chemical System: O-P-Yb-Zr
  • Density: 3.2753813630988153
  • Atomic Density: 0.06511795425481802
  • Unit Cell Volume: 1597.1017700130703
  • Molar Volume: 9.248049679869094
  • Full Formula: Yb2 Zr12 P18 O72
  • Reduced Formula: YbZr6(PO4)9
  • Formula Anonymous: AB6C9D36
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -892.5556941000001
  • Final energy per atom: -8.582266289423078
  • 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.