Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-684876

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-684876
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 71
  • Number of elements: 2
  • Element list: ['Te', 'Rh']
  • Chemical System: Rh-Te
  • Density: 8.225073171170068
  • Atomic Density: 0.04240150764910211
  • Unit Cell Volume: 1674.4687615253579
  • Molar Volume: 14.202657155110675
  • Full Formula: Te40 Rh31
  • Reduced Formula: Te40Rh31
  • Formula Anonymous: A31B40
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -361.14515533
  • Final energy per atom: -5.086551483521127
  • 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.