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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217488

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-1217488
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Te', 'W', 'N', 'O']
  • Chemical System: N-O-Te-W
  • Density: 5.60707883478011
  • Atomic Density: 0.03544292666676284
  • Unit Cell Volume: 197.50062024545957
  • Molar Volume: 16.991093361506618
  • Full Formula: Te2 W2 N2 O1
  • Reduced Formula: Te2W2N2O
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -49.84472782
  • Final energy per atom: -7.1206754028571435
  • 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.