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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215054

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-1215054
  • 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: 32
  • Number of elements: 5
  • Element list: ['Ca', 'H', 'W', 'C', 'O']
  • Chemical System: C-Ca-H-O-W
  • Density: 4.471513355242905
  • Atomic Density: 0.06283674268470003
  • Unit Cell Volume: 509.25618726878406
  • Molar Volume: 9.583788883229804
  • Full Formula: Ca2 H12 W6 C4 O8
  • Reduced Formula: CaH6W3(CO2)2
  • Formula Anonymous: AB2C3D4E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -204.96785079
  • Final energy per atom: -6.4052453371875
  • 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.