Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-17481

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-17481
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Mg', 'Ta', 'O']
  • Chemical System: Mg-O-Ta
  • Density: 6.001454495811606
  • Atomic Density: 0.08988803579249266
  • Unit Cell Volume: 333.7485321100493
  • Molar Volume: 6.69960212936699
  • Full Formula: Mg8 Ta4 O18
  • Reduced Formula: Mg4Ta2O9
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -246.7838533
  • Final energy per atom: -8.226128443333334
  • 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.