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  1. Third-Parties
  2. MatprojStructure
  3. mp-680161

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-680161
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Sm', 'Cr', 'Te', 'Cl']
  • Chemical System: Cl-Cr-Sm-Te
  • Density: 7.171920654343068
  • Atomic Density: 0.03368374960063331
  • Unit Cell Volume: 1365.6436871011272
  • Molar Volume: 17.878475025496485
  • Full Formula: Sm16 Cr2 Te26 Cl2
  • Reduced Formula: Sm8CrTe13Cl
  • Formula Anonymous: ABC8D13
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -250.71537776
  • Final energy per atom: -5.450334299130435
  • 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.