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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211581

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-1211581
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['La', 'Ta', 'Se', 'O']
  • Chemical System: La-O-Se-Ta
  • Density: 7.849007434265373
  • Atomic Density: 0.06407344814499716
  • Unit Cell Volume: 936.4253327559488
  • Molar Volume: 9.398808608476937
  • Full Formula: La8 Ta12 Se8 O32
  • Reduced Formula: La2Ta3(SeO4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -560.28492065
  • Final energy per atom: -9.338082010833334
  • 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.