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  1. Third-Parties
  2. MatprojStructure
  3. mp-686722

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-686722
  • 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: 46
  • Number of elements: 5
  • Element list: ['Na', 'Tl', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Na-O-Tl
  • Density: 1.9282327914251456
  • Atomic Density: 0.07606309567406408
  • Unit Cell Volume: 604.761081472589
  • Molar Volume: 7.917296432169042
  • Full Formula: Na3 Tl1 H24 Cl6 O12
  • Reduced Formula: Na3TlH24(ClO2)6
  • Formula Anonymous: AB3C6D12E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -211.57023933
  • Final energy per atom: -4.599353028913043
  • 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.