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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219245

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-1219245
  • 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: 30
  • Number of elements: 4
  • Element list: ['Sm', 'Ta', 'S', 'O']
  • Chemical System: O-S-Sm-Ta
  • Density: 7.835153083074611
  • Atomic Density: 0.06833769893484012
  • Unit Cell Volume: 438.9963441497342
  • Molar Volume: 8.812325925317007
  • Full Formula: Sm4 Ta6 S4 O16
  • Reduced Formula: Sm2Ta3(SO4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -281.6462473
  • Final energy per atom: -9.388208243333334
  • 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.