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  1. Third-Parties
  2. MatprojStructure
  3. mp-776424

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-776424
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'Cu', 'P', 'O']
  • Chemical System: Cu-Li-Na-O-P
  • Density: 2.9383498191170605
  • Atomic Density: 0.07921116342904312
  • Unit Cell Volume: 656.4731251117311
  • Molar Volume: 7.60264147034603
  • Full Formula: Na8 Li4 Cu4 P8 O28
  • Reduced Formula: Na2LiCuP2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -338.97035918
  • Final energy per atom: -6.518660753461538
  • 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.