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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210064

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-1210064
  • 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: 60
  • Number of elements: 4
  • Element list: ['Nd', 'Ta', 'Se', 'O']
  • Chemical System: Nd-O-Se-Ta
  • Density: 8.131022595163852
  • Atomic Density: 0.06574152125388275
  • Unit Cell Volume: 912.6652206341568
  • Molar Volume: 9.160330709025581
  • Full Formula: Nd8 Ta12 Se8 O32
  • Reduced Formula: Nd2Ta3(SeO4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -556.38627881
  • Final energy per atom: -9.273104646833334
  • 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.