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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180413

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-1180413
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'P', 'O']
  • Chemical System: Ca-Na-O-P
  • Density: 2.1942400258315793
  • Atomic Density: 0.06525474076360833
  • Unit Cell Volume: 490.38582676963074
  • Molar Volume: 9.22866398598654
  • Full Formula: Na4 Ca2 P4 O22
  • Reduced Formula: Na2CaP2O11
  • Formula Anonymous: AB2C2D11
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -190.51245654
  • Final energy per atom: -5.953514266875
  • 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.