Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material’s band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present the workflow to generate the data, the data validation procedure, and the database structure. Our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.
trasport_data_dataset_1_part_1
Dataset 1, part 1: transport data for mp_id from 1 to 570106
etransport_data_1.tar
transport_data_dataset_1_part_2
Dataset 1, Part 2: transport data for mp_id from 570107 to 1006278
etransport_data_2.tar
transport_data_dataset_2_part_1
Dataset 2, Part 1: transport data for mp_id from 1 to 6565
etransport_data_2_1.tar
transport_data_dataset_2_part_2
Dataset 2, Part 2: transport data for mp_id from 6566 to 14048
etransport_data_2_2.tar
transport_data_dataset_2_part_3
Dataset 2, Part 3: transport data for mp_id from 14049 to 18774
etransport_data_2_3.tar
transport_data_dataset_2_part_4
Dataset 2, Part 4: transport data for mp_id from 18775 to 23660
etransport_data_2_4.tar
transport_data_dataset_2_part_5
Dataset 2, Part 5: transport data for mp_id from 23662 to 28155
etransport_data_2_5.tar
transport_data_dataset_2_part_6
Dataset 2, Part 6: transport data for mp_id 28156 from to 30189
etransport_data_2_6.tar
transport_data_dataset_2_part_7
Dataset 2, Part 7: transport data for mp_id from 30192 to 505772
etransport_data_2_7.tar
transport_data_dataset_2_part_8
Dataset 2, Part 8: transport data for mp_id from 505774 to 542734
etransport_data_2_8.tar
transport_data_dataset_2_part_9
Dataset 2, Part 9: transport data for mp_id from 542737 to 555975
etransport_data_2_9.tar
transport_data_dataset_2_part_10
Dataset 2, Part 10: transport data for mp_id from 555976 to 558469
etransport_data_2_10.tar
transport_data_dataset_2_part_11
Dataset 2, Part 11: transport data for mp_id from 558475 to 560944
etransport_data_2_11.tar
transport_data_dataset_2_part_12
Dataset 2, Part 12: transport data for mp_id from 560947 to 567053
etransport_data_2_12.tar
transport_data_dataset_2_part_13
Dataset 2, Part 13: transport data for mp_id from 567055 to 570909
etransport_data_2_13.tar
transport_data_dataset_2_part_14
Dataset 2, Part 14: transport data for mp_id from 570910 to 601867
etransport_data_2_14.tar
transport_data_dataset_2_part_15
Dataset 2, Part 15: transport data for mp_id from 601871 to 639724
etransport_data_2_15.tar
transport_data_dataset_2_part_16
Dataset 2, Part 16: transport data for mp_id from 639727 to 667327
etransport_data_2_16.tar
transport_data_dataset_2_part_17
Dataset 2, Part 17: transport data for mp_id from 667335 to 680604
etransport_data_2_17.tar
transport_data_dataset_2_part_18
Dataset 2, Part 18: transport data for mp_id from 680610 to 698491
etransport_data_2_18.tar
transport_data_dataset_2_part_19
Dataset 2, Part 19: transport data for mp_id from 698494 to 720300
etransport_data_2_19.tar
transport_data_dataset_2_part_20
Dataset 2, Part 20: transport data for mp_id from 720312 to 753160
etransport_data_2_20.tar
transport_data_dataset_2_part_21
Dataset 2, Part 21: transport data for mp_id from 753162 to 761565
etransport_data_2_21.tar
transport_data_dataset_2_part_22
Dataset 2, Part 22: transport data for mp_id from 761566 to 764784
etransport_data_2_22.tar
transport_data_dataset_2_part_23
Dataset 2, Part 23: transport data for mp_id from 764785 to 768341
etransport_data_2_23.tar
transport_data_dataset_2_part_24
Dataset 2, Part 24: transport data for mp_id from 768342 to 771645
etransport_data_2_24.tar
transport_data_dataset_2_part_25
Dataset 2, Part 25: transport data for mp_id from 771647 to 775067
etransport_data_2_25.tar
transport_data_dataset_2_part_26
Dataset 2, Part 26: transport data for mp_id from 775068 to 779221
etransport_data_2_26.tar
transport_data_dataset_2_part_27
Dataset 2, Part 27: transport data for mp_id from 779222 to 861898
etransport_data_2_27.tar
transport_data_dataset_2_part_28
Dataset 2, Part 28: transport data for mp_id from 861906 to 1006278
etransport_data_2_28.tar