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  1. Third-Parties
  2. MatprojStructure
  3. mp-2861

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-2861
  • 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: 2
  • Number of elements: 2
  • Element list: ['Ca', 'Tl']
  • Chemical System: Ca-Tl
  • Density: 6.802615094864166
  • Atomic Density: 0.03351557539089405
  • Unit Cell Volume: 59.67374800145565
  • Molar Volume: 17.968185507076733
  • Full Formula: Ca1 Tl1
  • Reduced Formula: CaTl
  • Formula Anonymous: AB
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -5.25902613
  • Final energy per atom: -2.629513065
  • 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.