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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232413

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-1232413
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Na', 'Cu', 'P', 'H', 'N', 'O']
  • Chemical System: Cu-H-N-Na-O-P
  • Density: 2.3151130031476863
  • Atomic Density: 0.08579462851520943
  • Unit Cell Volume: 606.0985506893545
  • Molar Volume: 7.019251512852477
  • Full Formula: Na6 Cu2 P4 H12 N2 O26
  • Reduced Formula: Na3CuP2H6NO13
  • Formula Anonymous: ABC2D3E6F13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -317.21968132
  • Final energy per atom: -6.100378486923077
  • 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.