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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203091

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-1203091
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Ca', 'P', 'H', 'C', 'O']
  • Chemical System: C-Ca-H-O-P
  • Density: 1.8718408872821126
  • Atomic Density: 0.09307732578401816
  • Unit Cell Volume: 408.26269641843095
  • Molar Volume: 6.470040591812998
  • Full Formula: Ca2 P4 H16 C4 O12
  • Reduced Formula: CaP2H8(CO3)2
  • Formula Anonymous: AB2C2D6E8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -234.32198563
  • Final energy per atom: -6.166368042894737
  • 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.