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  1. Third-Parties
  2. MatprojStructure
  3. mp-1176393

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-1176393
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'Cu', 'P', 'O']
  • Chemical System: Cu-Li-Na-O-P
  • Density: 2.61434620073552
  • Atomic Density: 0.07282896304999754
  • Unit Cell Volume: 549.232040727255
  • Molar Volume: 8.268881647903957
  • Full Formula: Na4 Li2 Cu2 P8 O24
  • Reduced Formula: Na2LiCu(PO3)4
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -277.9131026
  • Final energy per atom: -6.947827565
  • 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.