Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212494

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-1212494
  • 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: ['Lu', 'Zr', 'P', 'O']
  • Chemical System: Lu-O-P-Zr
  • Density: 3.323620650570473
  • Atomic Density: 0.06599626153334014
  • Unit Cell Volume: 1575.8468371342678
  • Molar Volume: 9.124972566753227
  • Full Formula: Lu2 Zr12 P18 O72
  • Reduced Formula: LuZr6(PO4)9
  • Formula Anonymous: AB6C9D36
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -902.17824817
  • Final energy per atom: -8.674790847788461
  • 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.