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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226825

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-1226825
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Cs', 'Sm', 'Te']
  • Chemical System: Cs-Sm-Te
  • Density: 5.463008701967834
  • Atomic Density: 0.024268017023956256
  • Unit Cell Volume: 1813.0859211350169
  • Molar Volume: 24.815133243293932
  • Full Formula: Cs6 Sm14 Te24
  • Reduced Formula: Cs3Sm7Te12
  • Formula Anonymous: A3B7C12
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -218.65606573
  • Final energy per atom: -4.969456039318182
  • 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.