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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222153

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-1222153
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 81
  • Number of elements: 3
  • Element list: ['Na', 'Ge', 'Au']
  • Chemical System: Au-Ge-Na
  • Density: 9.66283869443379
  • Atomic Density: 0.049273160703868196
  • Unit Cell Volume: 1643.8969784546637
  • Molar Volume: 12.221949381719348
  • Full Formula: Na26 Ge15 Au40
  • Reduced Formula: Na26(Ge3Au8)5
  • Formula Anonymous: A15B26C40
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -258.9113251
  • Final energy per atom: -3.196436112345679
  • 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.