Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203906

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-1203906
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Cs', 'Na', 'W', 'N']
  • Chemical System: Cs-N-Na-W
  • Density: 5.714616855039874
  • Atomic Density: 0.04403769612821573
  • Unit Cell Volume: 908.3127301560013
  • Molar Volume: 13.674967787748342
  • Full Formula: Cs10 Na2 W8 N20
  • Reduced Formula: Cs5Na(W2N5)2
  • Formula Anonymous: AB4C5D10
  • Spacegroup Number: 80
  • Spacegroup Symbol: I4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -308.86714672000005
  • Final energy per atom: -7.721678668000001
  • 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.