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  1. Third-Parties
  2. MatprojStructure
  3. mp-696157

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-696157
  • 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: 56
  • Number of elements: 4
  • Element list: ['Na', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P
  • Density: 1.8711144745921442
  • Atomic Density: 0.10111919900882584
  • Unit Cell Volume: 553.8018551265644
  • Molar Volume: 5.9554870084308895
  • Full Formula: Na4 P4 H24 O24
  • Reduced Formula: NaP(HO)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -326.1143807
  • Final energy per atom: -5.823471083928572
  • 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.