Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1173567

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-1173567
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Na', 'La', 'Mg', 'W', 'O']
  • Chemical System: La-Mg-Na-O-W
  • Density: 6.18370006191409
  • Atomic Density: 0.07990597533461899
  • Unit Cell Volume: 250.29417282308134
  • Molar Volume: 7.5365337007418125
  • Full Formula: Na2 La2 Mg2 W2 O12
  • Reduced Formula: NaLaMgWO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -158.95651852
  • Final energy per atom: -7.947825926
  • 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.