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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224626

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-1224626
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['H', 'Au', 'N', 'Cl', 'O']
  • Chemical System: Au-Cl-H-N-O
  • Density: 3.3304208199324075
  • Atomic Density: 0.08496405330143274
  • Unit Cell Volume: 659.1022652994791
  • Molar Volume: 7.0878689586934405
  • Full Formula: H24 Au4 N8 Cl4 O16
  • Reduced Formula: H6AuN2ClO4
  • Formula Anonymous: ABC2D4E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -276.68998841
  • Final energy per atom: -4.940892650178571
  • 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.