Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219915

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-1219915
  • 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: 35
  • Number of elements: 5
  • Element list: ['Rb', 'Ti', 'Cr', 'Mo', 'O']
  • Chemical System: Cr-Mo-O-Rb-Ti
  • Density: 3.4309004991653795
  • Atomic Density: 0.05638929333418204
  • Unit Cell Volume: 620.6852033519582
  • Molar Volume: 10.679581892099188
  • Full Formula: Rb2 Ti1 Cr2 Mo6 O24
  • Reduced Formula: Rb2TiCr2(MoO4)6
  • Formula Anonymous: AB2C2D6E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -290.4482944
  • Final energy per atom: -8.298522697142857
  • 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.