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  1. Third-Parties
  2. MatprojStructure
  3. mp-14676

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-14676
  • 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: 54
  • Number of elements: 3
  • Element list: ['Nd', 'Ta', 'O']
  • Chemical System: Nd-O-Ta
  • Density: 8.24540164087717
  • Atomic Density: 0.07818012365434006
  • Unit Cell Volume: 690.7126450547928
  • Molar Volume: 7.702905135614593
  • Full Formula: Nd2 Ta14 O38
  • Reduced Formula: NdTa7O19
  • Formula Anonymous: AB7C19
  • Spacegroup Number: 188
  • Spacegroup Symbol: P-6c2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -548.31235085
  • Final energy per atom: -10.153932423148149
  • 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.