Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-554313

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-554313
  • 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: 38
  • Number of elements: 4
  • Element list: ['Nd', 'Te', 'W', 'O']
  • Chemical System: Nd-O-Te-W
  • Density: 6.7947870106748915
  • Atomic Density: 0.0694563636406577
  • Unit Cell Volume: 547.1060966652151
  • Molar Volume: 8.670394538873929
  • Full Formula: Nd4 Te4 W4 O26
  • Reduced Formula: Nd2Te2W2O13
  • Formula Anonymous: A2B2C2D13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -306.36272525000004
  • Final energy per atom: -8.062176980263159
  • 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.