Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226788

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-1226788
  • 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: 8
  • Number of elements: 4
  • Element list: ['Cd', 'Ge', 'As', 'P']
  • Chemical System: As-Cd-Ge-P
  • Density: 4.903373004818047
  • Atomic Density: 0.0405969021107787
  • Unit Cell Volume: 197.05937113551224
  • Molar Volume: 14.833990888189197
  • Full Formula: Cd2 Ge2 As2 P2
  • Reduced Formula: CdGeAsP
  • Formula Anonymous: ABCD
  • Spacegroup Number: 24
  • Spacegroup Symbol: I2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -31.89964959
  • Final energy per atom: -3.98745619875
  • 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.