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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205271

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-1205271
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 6
  • Element list: ['Na', 'Cu', 'P', 'H', 'N', 'O']
  • Chemical System: Cu-H-N-Na-O-P
  • Density: 2.0111981331257995
  • Atomic Density: 0.09732173048511722
  • Unit Cell Volume: 1808.4347567875864
  • Molar Volume: 6.187868557188188
  • Full Formula: Na8 Cu4 P16 H72 N16 O60
  • Reduced Formula: Na2CuP4H18N4O15
  • Formula Anonymous: AB2C4D4E15F18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1045.16549588
  • Final energy per atom: -5.9384403175
  • 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.