Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1234994

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-1234994
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Mg', 'Ta', 'As', 'O']
  • Chemical System: As-Mg-O-Ta
  • Density: 4.845398226819524
  • Atomic Density: 0.061867848085052
  • Unit Cell Volume: 468.74104882608225
  • Molar Volume: 9.73387784834724
  • Full Formula: Mg1 Ta4 As4 O20
  • Reduced Formula: MgTa4(AsO5)4
  • Formula Anonymous: AB4C4D20
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -239.25766941000003
  • Final energy per atom: -8.250264462413794
  • 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.