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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180606

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-1180606
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 61
  • Number of elements: 6
  • Element list: ['Na', 'Cu', 'P', 'H', 'N', 'O']
  • Chemical System: Cu-H-N-Na-O-P
  • Density: 1.9724945056585368
  • Atomic Density: 0.09062567963048046
  • Unit Cell Volume: 673.0984004613595
  • Molar Volume: 6.6450710047691075
  • Full Formula: Na4 Cu1 P6 H22 N6 O22
  • Reduced Formula: Na4CuP6H22(N3O11)2
  • Formula Anonymous: AB4C6D6E22F22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -365.47887483
  • Final energy per atom: -5.991456964426229
  • 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.