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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210224

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-1210224
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 5
  • Element list: ['Na', 'Cu', 'As', 'H', 'O']
  • Chemical System: As-Cu-H-Na-O
  • Density: 3.782158746906094
  • Atomic Density: 0.07660278835713943
  • Unit Cell Volume: 378.5762975728178
  • Molar Volume: 7.8615163875281215
  • Full Formula: Na5 Cu3 As4 H1 O16
  • Reduced Formula: Na5Cu3As4HO16
  • Formula Anonymous: AB3C4D5E16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -169.54631732
  • Final energy per atom: -5.846424735172414
  • 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.