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  1. Third-Parties
  2. MatprojStructure
  3. mp-758571

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-758571
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Al', 'Tl', 'O']
  • Chemical System: Al-O-Tl
  • Density: 4.018034570086314
  • Atomic Density: 0.09075855257504364
  • Unit Cell Volume: 639.0582303749583
  • Molar Volume: 6.635342443369839
  • Full Formula: Al22 Tl2 O34
  • Reduced Formula: Al11TlO17
  • Formula Anonymous: AB11C17
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -447.24463928
  • Final energy per atom: -7.711114470344827
  • 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.