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  1. Third-Parties
  2. MatprojStructure
  3. mp-865272

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-865272
  • 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: 62
  • Number of elements: 5
  • Element list: ['Tl', 'Co', 'P', 'H', 'O']
  • Chemical System: Co-H-O-P-Tl
  • Density: 3.666892143614383
  • Atomic Density: 0.0800046455621033
  • Unit Cell Volume: 774.9549987303268
  • Molar Volume: 7.527238846805886
  • Full Formula: Tl4 Co2 P8 H16 O32
  • Reduced Formula: Tl2CoP4(HO2)8
  • Formula Anonymous: AB2C4D8E16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -400.52868184
  • Final energy per atom: -6.46014002967742
  • 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.