Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233618

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-1233618
  • 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: 19
  • Number of elements: 5
  • Element list: ['Rb', 'Ca', 'Nb', 'Te', 'O']
  • Chemical System: Ca-Nb-O-Rb-Te
  • Density: 4.096388191803994
  • Atomic Density: 0.055533277210939355
  • Unit Cell Volume: 342.137200508261
  • Molar Volume: 10.84420200364785
  • Full Formula: Rb2 Ca1 Nb2 Te2 O12
  • Reduced Formula: Rb2CaNb2(TeO6)2
  • Formula Anonymous: AB2C2D2E12
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -134.93496232
  • Final energy per atom: -7.101840122105264
  • 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.