Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221880

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-1221880
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Mn', 'Cu', 'Sb', 'Pd']
  • Chemical System: Cu-Mn-Pd-Sb
  • Density: 7.3563456409843075
  • Atomic Density: 0.050788106121170594
  • Unit Cell Volume: 118.13789602008708
  • Molar Volume: 11.857383982053472
  • Full Formula: Mn2 Cu1 Sb2 Pd1
  • Reduced Formula: Mn2CuSb2Pd
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -36.4144701
  • Final energy per atom: -6.069078350000001
  • 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.