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  1. Third-Parties
  2. MatprojStructure
  3. mp-677250

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-677250
  • 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: 76
  • Number of elements: 5
  • Element list: ['K', 'Lu', 'Zr', 'P', 'O']
  • Chemical System: K-Lu-O-P-Zr
  • Density: 3.6778497917183413
  • Atomic Density: 0.06687127385240363
  • Unit Cell Volume: 1136.5119224099878
  • Molar Volume: 9.005572068646243
  • Full Formula: K8 Lu4 Zr4 P12 O48
  • Reduced Formula: K2LuZr(PO4)3
  • Formula Anonymous: ABC2D3E12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -606.02816561
  • Final energy per atom: -7.974054810657894
  • 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.