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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247906

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-1247906
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Al', 'Zn', 'Sb', 'H', 'O']
  • Chemical System: Al-H-O-Sb-Zn
  • Density: 2.5777424480591815
  • Atomic Density: 0.08987096465709993
  • Unit Cell Volume: 934.673398916987
  • Molar Volume: 6.700874729649676
  • Full Formula: Al3 Zn6 Sb3 H36 O36
  • Reduced Formula: AlZn2Sb(HO)12
  • Formula Anonymous: ABC2D12E12
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -384.9818570000001
  • Final energy per atom: -4.583117345238096
  • 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.