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  1. Third-Parties
  2. MatprojStructure
  3. mp-556009

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-556009
  • 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: 50
  • Number of elements: 5
  • Element list: ['Mg', 'Tl', 'As', 'H', 'O']
  • Chemical System: As-H-Mg-O-Tl
  • Density: 3.1237060985658927
  • Atomic Density: 0.09886183651259951
  • Unit Cell Volume: 505.7563339279836
  • Molar Volume: 6.091471666351762
  • Full Formula: Mg2 Tl2 As2 H24 O20
  • Reduced Formula: MgTlAs(H6O5)2
  • Formula Anonymous: ABCD10E12
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -272.83178715
  • Final energy per atom: -5.4566357430000005
  • 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.