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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210396

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-1210396
  • 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: 66
  • Number of elements: 6
  • Element list: ['Na', 'Cu', 'Sb', 'As', 'H', 'O']
  • Chemical System: As-Cu-H-Na-O-Sb
  • Density: 3.6742059854453597
  • Atomic Density: 0.09150711659122633
  • Unit Cell Volume: 721.2553783639605
  • Molar Volume: 6.581062746083075
  • Full Formula: Na1 Cu5 Sb2 As6 H18 O34
  • Reduced Formula: NaCu5Sb2As6(H9O17)2
  • Formula Anonymous: AB2C5D6E18F34
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -380.62265142
  • Final energy per atom: -5.76700987
  • 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.