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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199678

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-1199678
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Cs', 'P', 'Pd', 'O']
  • Chemical System: Cs-O-P-Pd
  • Density: 3.726961242911482
  • Atomic Density: 0.055331409135990293
  • Unit Cell Volume: 831.3542112571885
  • Molar Volume: 10.883765394803401
  • Full Formula: Cs4 P8 Pd6 O28
  • Reduced Formula: Cs2P4Pd3O14
  • Formula Anonymous: A2B3C4D14
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -317.21534726
  • Final energy per atom: -6.89598581
  • 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.