Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218860

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-1218860
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Sr', 'Tl', 'Cu', 'O']
  • Chemical System: Cu-O-Sr-Tl
  • Density: 6.600444515852989
  • Atomic Density: 0.07019664209476897
  • Unit Cell Volume: 398.8794786251827
  • Molar Volume: 8.578958451986649
  • Full Formula: Sr6 Tl3 Cu3 O16
  • Reduced Formula: Sr6Tl3Cu3O16
  • Formula Anonymous: A3B3C6D16
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -152.80153694
  • Final energy per atom: -5.457197747857143
  • 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.