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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019605

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-1019605
  • 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: 92
  • Number of elements: 4
  • Element list: ['Cs', 'Ba', 'P', 'O']
  • Chemical System: Ba-Cs-O-P
  • Density: 4.001065991522453
  • Atomic Density: 0.05403102159169568
  • Unit Cell Volume: 1702.7255322919896
  • Molar Volume: 11.145709599030747
  • Full Formula: Cs8 Ba12 P16 O56
  • Reduced Formula: Cs2Ba3(P2O7)2
  • Formula Anonymous: A2B3C4D14
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -673.96103076
  • Final energy per atom: -7.3256633778260865
  • 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.