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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173427

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-1173427
  • 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: 90
  • Number of elements: 6
  • Element list: ['P', 'H', 'Au', 'C', 'Cl', 'O']
  • Chemical System: Au-C-Cl-H-O-P
  • Density: 1.6016939015760192
  • Atomic Density: 0.0770180335998195
  • Unit Cell Volume: 1168.5574896346213
  • Molar Volume: 7.819130765257701
  • Full Formula: P4 H52 Au2 C18 Cl6 O8
  • Reduced Formula: P2H26AuC9Cl3O4
  • Formula Anonymous: AB2C3D4E9F26
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -447.21812736
  • Final energy per atom: -4.969090304
  • 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.