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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233260

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-1233260
  • 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: 25
  • Number of elements: 5
  • Element list: ['Mg', 'Cu', 'H', 'C', 'O']
  • Chemical System: C-Cu-H-Mg-O
  • Density: 2.895368428741883
  • Atomic Density: 0.09263442903188804
  • Unit Cell Volume: 269.878060039579
  • Molar Volume: 6.500974662376304
  • Full Formula: Mg1 Cu4 H8 C2 O10
  • Reduced Formula: MgCu4H8(CO5)2
  • Formula Anonymous: AB2C4D8E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -142.50699313
  • Final energy per atom: -5.700279725200001
  • 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.