Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195532

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-1195532
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Na', 'Tm', 'B', 'Te', 'O']
  • Chemical System: B-Na-O-Te-Tm
  • Density: 5.601854227589242
  • Atomic Density: 0.08274815370200483
  • Unit Cell Volume: 410.8853005040068
  • Molar Volume: 7.277673870147141
  • Full Formula: Na4 Tm4 B4 Te2 O20
  • Reduced Formula: Na2Tm2B2TeO10
  • Formula Anonymous: AB2C2D2E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -252.76567249
  • Final energy per atom: -7.434284484999999
  • 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.