Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-542023

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-542023
  • 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: 20
  • Number of elements: 4
  • Element list: ['Sc', 'Fe', 'B', 'Rh']
  • Chemical System: B-Fe-Rh-Sc
  • Density: 8.438219145768205
  • Atomic Density: 0.07452071008671868
  • Unit Cell Volume: 268.381768997186
  • Molar Volume: 8.08116395159429
  • Full Formula: Sc4 Fe2 B4 Rh10
  • Reduced Formula: Sc2FeB2Rh5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -157.01763532
  • Final energy per atom: -7.8508817660000005
  • 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.