Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219632

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-1219632
  • 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: 21
  • Number of elements: 4
  • Element list: ['Rb', 'Mn', 'Cr', 'Cl']
  • Chemical System: Cl-Cr-Mn-Rb
  • Density: 2.8848020656017845
  • Atomic Density: 0.03316256660639838
  • Unit Cell Volume: 633.244110724176
  • Molar Volume: 18.159453191533398
  • Full Formula: Rb6 Mn2 Cr1 Cl12
  • Reduced Formula: Rb6Mn2CrCl12
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -96.70123773
  • Final energy per atom: -4.604820844285714
  • 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.