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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223743

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-1223743
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Li', 'Zr', 'As', 'P', 'O']
  • Chemical System: As-Li-O-P-Zr
  • Density: 3.330035510246385
  • Atomic Density: 0.06681865360601025
  • Unit Cell Volume: 1077.5434121217268
  • Molar Volume: 9.012664031677401
  • Full Formula: Li4 Zr8 As6 P6 O48
  • Reduced Formula: Li2Zr4As3(PO8)3
  • Formula Anonymous: A2B3C3D4E24
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -577.90683755
  • Final energy per atom: -8.02648385486111
  • 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.