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  1. Third-Parties
  2. MatprojStructure
  3. mp-698223

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-698223
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Na', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P
  • Density: 1.9001917102029515
  • Atomic Density: 0.09000822905684251
  • Unit Cell Volume: 1244.330670357586
  • Molar Volume: 6.690655757927271
  • Full Formula: Na16 P8 H40 O48
  • Reduced Formula: Na2PH5O6
  • Formula Anonymous: AB2C5D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -646.66902547
  • Final energy per atom: -5.773830584553571
  • 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.