material_id stringlengths 4 10 | structure stringlengths 685 14.2k | graph dict | formation_energy_per_atom float64 -4.52 4.39 | band_gap float64 0 17.9 | G float64 2 525 ⌀ | K float64 3 436 ⌀ |
|---|---|---|---|---|---|---|
mvc-8151 | # generated using pymatgen
data_MgSn(GeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57936818
_cell_length_b 7.40720301
_cell_length_c 7.40720264
_cell_angle_alpha 88.31522739
_cell_angle_beta 78.33779111
_cell_angle_gamma 78.33778320
_symmetry_Int_Tables_number 1
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mvc-8154 | #\#CIF1.1
##########################################################################
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#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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mvc-1148 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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mvc-14313 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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... | -2.301683 | 1.3002 | null | null |
mvc-13470 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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... | -2.935452 | 0.0546 | null | null |
mvc-9795 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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... | -3.119395 | 1.3941 | null | null |
mvc-5683 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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mvc-6883 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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mvc-6881 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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... | -2.718805 | 3.1753 | null | null |
mvc-4467 | #\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving an... | {
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... | -2.62361 | 2.3963 | null | null |
End of preview. Expand in Data Studio
This is a replica of the Materials Project 2018.6.1 Formation Energy dataset at https://ndownloader.figshare.com/files/15087992 used in the original MEGNet publication.
For ease of use via HuggingFace.
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