Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1217870

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-1217870
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Tb', 'Fe', 'Co', 'Bi']
  • Chemical System: Bi-Co-Fe-Tb
  • Density: 9.245901007949639
  • Atomic Density: 0.035089317783572896
  • Unit Cell Volume: 1025.953260819834
  • Molar Volume: 17.162319305105648
  • Full Formula: Tb24 Fe3 Co1 Bi8
  • Reduced Formula: Tb24Fe3CoBi8
  • Formula Anonymous: AB3C8D24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -190.16051623
  • Final energy per atom: -5.282236561944445
  • 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.