Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-13791

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-13791
  • 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: 60
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Nd', 'Si', 'O']
  • Chemical System: Ba-Na-Nd-O-Si
  • Density: 4.137209436520906
  • Atomic Density: 0.07014188088128133
  • Unit Cell Volume: 855.4090544214664
  • Molar Volume: 8.585656221840953
  • Full Formula: Ba4 Na4 Nd4 Si12 O36
  • Reduced Formula: BaNaNd(SiO3)3
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -475.71956074
  • Final energy per atom: -7.928659345666667
  • 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.