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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222872

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-1222872
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Li', 'Zr', 'As', 'P', 'O']
  • Chemical System: As-Li-O-P-Zr
  • Density: 3.296465576259844
  • Atomic Density: 0.06614505784893154
  • Unit Cell Volume: 544.2583493119058
  • Molar Volume: 9.104445526004294
  • Full Formula: Li2 Zr4 As3 P3 O24
  • Reduced Formula: Li2Zr4As3(PO8)3
  • Formula Anonymous: A2B3C3D4E24
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -288.47666592
  • Final energy per atom: -8.01324072
  • 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.