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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208335

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-1208335
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ta', 'Si', 'N']
  • Chemical System: N-Si-Ta
  • Density: 12.71123878052769
  • Atomic Density: 0.06868774046755804
  • Unit Cell Volume: 262.0554974945142
  • Molar Volume: 8.767417182465511
  • Full Formula: Ta10 Si6 N2
  • Reduced Formula: Ta5Si3N
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -180.47686818
  • Final energy per atom: -10.026492676666667
  • 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.