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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195564

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-1195564
  • 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: 48
  • Number of elements: 4
  • Element list: ['Sm', 'Tl', 'P', 'S']
  • Chemical System: P-S-Sm-Tl
  • Density: 4.411936875982058
  • Atomic Density: 0.03770794520934382
  • Unit Cell Volume: 1272.9412789139692
  • Molar Volume: 15.970482418404881
  • Full Formula: Sm4 Tl8 P8 S28
  • Reduced Formula: SmTl2P2S7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -247.13679174
  • Final energy per atom: -5.14868316125
  • 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.