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  1. Third-Parties
  2. MatprojStructure
  3. mp-677638

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-677638
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 143
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Al', 'P', 'O']
  • Chemical System: Al-Ca-Na-O-P
  • Density: 2.749709644356319
  • Atomic Density: 0.07991254441765078
  • Unit Cell Volume: 1789.4562242022007
  • Molar Volume: 7.535914172030609
  • Full Formula: Na27 Ca3 Al5 P24 O84
  • Reduced Formula: Na27Ca3Al5(P2O7)12
  • Formula Anonymous: A3B5C24D27E84
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1005.77760153
  • Final energy per atom: -7.033409800909091
  • 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.