action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
SuperCellAction | c12321c3-c742-4c67-aaf4-6adee583547b | mp-27442 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb4Cr4I12Rb4Cr4I12Rb4Cr4I12Rb4Cr4I12
_chemical_formula_sum "Rb16 Cr16 I48"
_cell_length_a 32.44665904
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma ... |
SuperCellAction | 36899bb5-d4bb-4d6a-9f08-0b249a59f2b5 | mp-756380 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Li4Ti3Mn3W2O16
_chemical_formula_sum "Li4 Ti3 Mn3 W2 O16"
_cell_length_a 6.15143785
_cell_length_b 6.04086671
_cell_length_c 9.86907192
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.54654732
_cell_angle_gamma 119.71010629
_spac... | data_image0
_chemical_formula_structural Li4Ti3Mn3W2O16Li4Ti3Mn3W2O16Li4Ti3Mn3W2O16Li4Ti3Mn3W2O16
_chemical_formula_sum "Li16 Ti12 Mn12 W8 O64"
_cell_length_a 12.3028757
_cell_length_b 6.04086671
_cell_length_c 19.73814384
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.546... |
SuperCellAction | 1202e2bf-0d6c-4996-9e16-88744320ee73 | mp-3887 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Li24Ga8N16Li24Ga8N16Li24Ga8N16
_chemical_formula_sum "Li96 Ga32 N64"
_cell_length_a 8.28699076
_cell_length_b 16.57401012
_cell_length_c 16.5739824
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angl... |
SuperCellAction | 3227b35a-7f2b-4d6a-ab1e-94201684354b | mp-504603 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Cs2TlFeF6
_chemical_formula_sum "Cs2 Tl1 Fe1 F6"
_cell_length_a 6.63629189
_cell_length_b 6.636291890000001
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Cs2TlFeF6Cs2TlFeF6Cs2TlFeF6Cs2TlFeF6Cs2TlFeF6Cs2TlFeF6
_chemical_formula_sum "Cs12 Tl6 Fe6 F36"
_cell_length_a 13.27258378
_cell_length_b 19.90887567
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999... |
SuperCellAction | 8d84a0e8-00b0-4692-b707-bb3caff98aa8 | mp-1222029 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Mn4Ga2Cu6
_chemical_formula_sum "Mn4 Ga2 Cu6"
_cell_length_a 4.88674264
_cell_length_b 4.88674264
_cell_length_c 7.81681554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998973
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn4Ga2Cu6Mn4Ga2Cu6Mn4Ga2Cu6Mn4Ga2Cu6Mn4Ga2Cu6Mn4Ga2Cu6Mn4Ga2Cu6Mn4Ga2Cu6
_chemical_formula_sum "Mn32 Ga16 Cu48"
_cell_length_a 4.88674264
_cell_length_b 19.54697056
_cell_length_c 15.63363108
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 0ec96a9f-a406-4fb8-8c8e-c1218781421c | mp-677509 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural K8N4O10
_chemical_formula_sum "K8 N4 O10"
_cell_length_a 5.48657112
_cell_length_b 5.48657112
_cell_length_c 14.30185623
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.54538008999998
_cell_angle_gamma 92.74388174
_space_gr... | data_image0
_chemical_formula_structural K8N4O10K8N4O10K8N4O10K8N4O10K8N4O10K8N4O10K8N4O10K8N4O10
_chemical_formula_sum "K64 N32 O80"
_cell_length_a 10.97314224
_cell_length_b 5.48657112
_cell_length_c 57.20742492
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.545380... |
SuperCellAction | 875bcf34-4fc6-4417-8c11-176274481783 | mp-1006615 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20Cr4Cu4N24Cl20Cr4Cu4N24Cl20Cr4Cu4N24Cl20Cr4Cu4N24Cl20Cr4Cu4N24Cl20
_chemical_formula_sum "Cr24 Cu24 N144 Cl120"
_cell_length_a 20.27112
_cell_length_b 10.13556
_cell_length_c 30.40668
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | cecb5a8c-2485-44a1-9d7c-ae419e0b669f | mp-1224058 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10Ho6S2O2F10
_chemical_formula_sum "Ho12 S4 O4 F20"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 18.84816094
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | a4f003dd-e045-4bcc-86a5-d97815e1eae5 | mp-1176656 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Li2Mn4O8
_chemical_formula_sum "Li2 Mn4 O8"
_cell_length_a 5.20771099
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47153499999999
_spac... | data_image0
_chemical_formula_structural Li2Mn4O8Li2Mn4O8Li2Mn4O8
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 15.62313297
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47... |
SuperCellAction | 66fa3ee1-e67f-4d4d-b686-72fa6527c455 | mp-672679 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4
_chemical_formula_sum "Y64 In16 Ir16"
_cell_length_a 9.68633742
_cell_length_b 19.3727107
_cell_length_c 19.37271078
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gam... |
SuperCellAction | 422abb70-f49f-4695-8341-06292352f727 | mp-29082 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba10Cr2N10Ba10Cr2N10Ba10Cr2N10Ba10Cr2N10
_chemical_formula_sum "Ba40 Cr8 N40"
_cell_length_a 7.94728499
_cell_length_b 31.789148080000004
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_... |
SuperCellAction | e789b942-1fa0-4161-9eb6-c23712a1a3b5 | mp-28301 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Os8Br32Os8Br32Os8Br32Os8Br32Os8Br32Os8Br32
_chemical_formula_sum "Os48 Br192"
_cell_length_a 19.14621609
_cell_length_b 12.59781404
_cell_length_c 29.79892738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 5b9169a3-15d8-41a2-9197-82037ea6dbab | mp-1211356 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural K4Tc4O8
_chemical_formula_sum "K4 Tc4 O8"
_cell_length_a 7.73828448
_cell_length_b 7.73828448
_cell_length_c 7.73828448
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102
_cell_angle_gamma 72.50492760000002
_space_group_n... | data_image0
_chemical_formula_structural K4Tc4O8K4Tc4O8K4Tc4O8K4Tc4O8K4Tc4O8K4Tc4O8K4Tc4O8K4Tc4O8
_chemical_formula_sum "K32 Tc32 O64"
_cell_length_a 15.47656896
_cell_length_b 15.47656896
_cell_length_c 15.47656896
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102... |
SuperCellAction | 986dd6cd-82a9-479a-bd64-374523370d0d | mp-1048118 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ba2Y2Ti8O14
_chemical_formula_sum "Ba2 Y2 Ti8 O14"
_cell_length_a 6.38298461
_cell_length_b 6.38298461
_cell_length_c 10.696846
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Y2Ti8O14Ba2Y2Ti8O14Ba2Y2Ti8O14Ba2Y2Ti8O14Ba2Y2Ti8O14Ba2Y2Ti8O14
_chemical_formula_sum "Ba12 Y12 Ti48 O84"
_cell_length_a 6.38298461
_cell_length_b 12.76596922
_cell_length_c 32.090538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 46232f45-ddc1-4e08-aa3c-ac6be7197bed | mp-1223027 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural LaB4Rh7
_chemical_formula_sum "La1 B4 Rh7"
_cell_length_a 2.916881
_cell_length_b 5.61440357
_cell_length_c 9.67184657
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaB4Rh7LaB4Rh7LaB4Rh7LaB4Rh7LaB4Rh7LaB4Rh7LaB4Rh7LaB4Rh7
_chemical_formula_sum "La8 B32 Rh56"
_cell_length_a 5.833762
_cell_length_b 5.61440357
_cell_length_c 38.68738628
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 0c60a74d-9c59-48d1-98e6-d5c2907b390a | mp-1227552 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Ca8Al4Fe4O20
_chemical_formula_sum "Ca8 Al4 Fe4 O20"
_cell_length_a 5.309852
_cell_length_b 5.447503
_cell_length_c 15.042727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ca8Al4Fe4O20Ca8Al4Fe4O20Ca8Al4Fe4O20Ca8Al4Fe4O20Ca8Al4Fe4O20Ca8Al4Fe4O20Ca8Al4Fe4O20Ca8Al4Fe4O20
_chemical_formula_sum "Ca64 Al32 Fe32 O160"
_cell_length_a 21.239408
_cell_length_b 5.447503
_cell_length_c 30.085454
_cell_angle_alpha 90.0
_... |
SuperCellAction | f5ebaeea-39f2-4d69-bc5f-920be95aa514 | mp-779754 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32Na10Ni4As2C8O32Na10Ni4As2C8O32Na10Ni4As2C8O32Na10Ni4As2C8O32Na10Ni4As2C8O32Na10Ni4As2C8O32Na10Ni4As2C8O32
_chemical_formula_sum "Na80 Ni32 As16 C64 O256"
_cell_length_a 19.91846568
_cell_length_b 9.952258090000003
_cell_length_c ... |
SuperCellAction | f47e90c1-4c37-464e-8ded-17484cd82296 | mp-762633 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO6LiMn2NiO6
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.831876
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
... |
SuperCellAction | 3e193035-8d8d-4162-bca3-338ccf87f39c | mp-1210214 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18Na2Nb4Bi4O18
_chemical_formula_sum "Na4 Nb8 Bi8 O36"
_cell_length_a 5.58523
_cell_length_b 11.351988
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | d24c9c09-2b24-479c-9ddc-80eb4e4eaa61 | mp-1075693 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si18Mg10Si18Mg10Si18Mg10Si18Mg10Si18Mg10Si18
_chemical_formula_sum "Mg60 Si108"
_cell_length_a 7.606799
_cell_length_b 23.00589732
_cell_length_c 20.077020040000004
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_a... |
SuperCellAction | 50afdd5d-8de8-4102-99ce-461d16d98b26 | mp-1076053 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural La4Cu4O10
_chemical_formula_sum "La4 Cu4 O10"
_cell_length_a 8.94342395
_cell_length_b 8.94342395
_cell_length_c 8.94342395
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_angle_gamma 51.20585973000001... | data_image0
_chemical_formula_structural La4Cu4O10La4Cu4O10La4Cu4O10La4Cu4O10
_chemical_formula_sum "La16 Cu16 O40"
_cell_length_a 8.94342395
_cell_length_b 17.8868479
_cell_length_c 17.8868479
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_ang... |
SuperCellAction | b8d9bd7b-6f52-43a8-908d-b63db3b23765 | mp-1207806 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Y8Al2
_chemical_formula_sum "Y8 Al2"
_cell_length_a 7.91163534
_cell_length_b 7.91163534
_cell_length_c 7.911635339999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Y8Al2Y8Al2Y8Al2Y8Al2Y8Al2Y8Al2Y8Al2Y8Al2
_chemical_formula_sum "Y64 Al16"
_cell_length_a 31.64654136
_cell_length_b 7.91163534
_cell_length_c 15.823270679999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_... |
SuperCellAction | 8da3f774-104c-4ad5-af3a-b5d83b320ebe | mp-1220988 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Na2Tl6S4Na2Tl6S4Na2Tl6S4
_chemical_formula_sum "Na6 Tl18 S12"
_cell_length_a 4.293416
_cell_length_b 21.925524
_cell_length_c 12.37711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 412db72d-0218-49c6-bfa9-0b452dd1b573 | mp-1114234 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6
_chemical_formula_sum "Na16 Li8 Rh8 F48"
_cell_length_a 22.53582688
_cell_length_b 11.26791344
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_ang... |
SuperCellAction | 592392f5-bb84-45bc-961f-220b0ef06398 | mp-545404 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7SrGd2Al2O7SrGd2Al2O7
_chemical_formula_sum "Sr3 Gd6 Al6 O21"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 30.827755439999997
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gam... |
SuperCellAction | b8068af5-c340-414b-81b5-e4ec6ba4c1ef | mp-38090 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24Fe12Cu6O24Fe12Cu6O24
_chemical_formula_sum "Fe36 Cu18 O72"
_cell_length_a 18.15559236
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma ... |
SuperCellAction | 2bdcc649-f73c-4393-9715-c3f907770286 | mp-504962 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural K8Na12In4O16
_chemical_formula_sum "K8 Na12 In4 O16"
_cell_length_a 7.639542
_cell_length_b 9.381563
_cell_length_c 9.658423
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural K8Na12In4O16K8Na12In4O16K8Na12In4O16K8Na12In4O16K8Na12In4O16K8Na12In4O16
_chemical_formula_sum "K48 Na72 In24 O96"
_cell_length_a 7.639542
_cell_length_b 18.763126
_cell_length_c 28.975269000000004
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 0e00c6ee-564d-4e81-b139-71e30feeb783 | mp-759254 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48Li2Bi8P14O48
_chemical_formula_sum "Li12 Bi48 P84 O288"
_cell_length_a 11.00550326
_cell_length_b 22.273609320000002
_cell_length_c 34.87190514
_cell_angle_alpha 112.28091033
_cel... |
SuperCellAction | 62687736-037a-42dc-bb47-1675cc186d7f | mp-1035395 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Mg14VCuO16Mg14VCuO16Mg14VCuO16Mg14VCuO16Mg14VCuO16Mg14VCuO16Mg14VCuO16Mg14VCuO16
_chemical_formula_sum "Mg112 V8 Cu8 O128"
_cell_length_a 8.556818
_cell_length_b 17.22554
_cell_length_c 16.955804
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | e1bdfe70-97bc-42a7-998d-67044a98f62b | mp-1181827 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F40Er12N4F40Er12N4F40Er12N4F40Er12N4F40Er12N4F40Er12N4F40Er12N4F40
_chemical_formula_sum "Er96 N32 F320"
_cell_length_a 16.25286646
_cell_length_b 32.50573292
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | f3cd2263-90cb-4f80-9a4b-d65e41964271 | mp-1042551 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Ca2Ni4O8
_chemical_formula_sum "Ca2 Ni4 O8"
_cell_length_a 3.07397165
_cell_length_b 7.89939956
_cell_length_c 6.7700861
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.8589344
_cell_angle_gamma 78.7803237
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ca2Ni4O8Ca2Ni4O8Ca2Ni4O8Ca2Ni4O8Ca2Ni4O8Ca2Ni4O8Ca2Ni4O8Ca2Ni4O8
_chemical_formula_sum "Ca16 Ni32 O64"
_cell_length_a 3.07397165
_cell_length_b 15.79879912
_cell_length_c 27.0803444
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.858... |
SuperCellAction | 8123098f-e65e-41f2-ab05-8d6a998c612b | mp-1208988 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6Sm3Ni9Sn6
_chemical_formula_sum "Sm24 Ni72 Sn48"
_cell_length_a 4.102391
_cell_length_b 19.16493922
_cell_length_c 38.32987844
_cell_angle_alpha 119.9999973
_cell_angle_beta ... |
SuperCellAction | f1a5bd00-4ae0-4905-b9af-0264c6c8e651 | mp-510041 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Hf8Ni8Sn4Hf8Ni8Sn4Hf8Ni8Sn4Hf8Ni8Sn4Hf8Ni8Sn4Hf8Ni8Sn4Hf8Ni8Sn4Hf8Ni8Sn4
_chemical_formula_sum "Hf64 Ni64 Sn32"
_cell_length_a 28.275324
_cell_length_b 7.068831
_cell_length_c 13.573904
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | a9d01d97-b1b5-4ada-94d8-268a801b98ac | mp-1215346 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4Zr4Al4Cr4Zr4Al4Cr4Zr4Al4Cr4
_chemical_formula_sum "Zr16 Al16 Cr16"
_cell_length_a 10.29565848
_cell_length_b 10.29727744
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000... |
SuperCellAction | 77ce0ae9-94f6-4012-affa-3800b8727901 | mp-20461 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O6Ba2Pb2O6
_chemical_formula_sum "Ba4 Pb4 O12"
_cell_length_a 12.3007329
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.7503547... |
SuperCellAction | 4faea22f-9c72-4095-b1b4-ab5bba43830e | mp-1192939 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7Sc6Co16Si7
_chemical_formula_sum "Sc48 Co128 Si56"
_cell_length_a 32.27304364
_cell_length_b 16.13652182
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_c... |
SuperCellAction | 0cac7743-1851-4888-ba15-96b4c458704d | mp-756019 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li3Si2Ni2O8
_chemical_formula_sum "Li3 Si2 Ni2 O8"
_cell_length_a 4.965421
_cell_length_b 5.34370819
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_angle_gamma 89.49667666
_space_gro... | data_image0
_chemical_formula_structural Li3Si2Ni2O8Li3Si2Ni2O8Li3Si2Ni2O8Li3Si2Ni2O8
_chemical_formula_sum "Li12 Si8 Ni8 O32"
_cell_length_a 9.930842
_cell_length_b 10.68741638
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_an... |
SuperCellAction | 03389f02-9a87-478c-ac9f-77cc32a0af2e | mp-778114 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Sm4Ge4O14
_chemical_formula_sum "Sm4 Ge4 O14"
_cell_length_a 7.19831875
_cell_length_b 7.19831875
_cell_length_c 7.19831875
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sm4Ge4O14Sm4Ge4O14Sm4Ge4O14Sm4Ge4O14Sm4Ge4O14Sm4Ge4O14
_chemical_formula_sum "Sm24 Ge24 O84"
_cell_length_a 21.594956250000003
_cell_length_b 7.19831875
_cell_length_c 14.3966375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.... |
SuperCellAction | 4757e561-b75c-49f6-b014-2bc61349a0ca | mp-984755 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22
_chemical_formula_sum "Nb32 Ag16 O88"
_cell_length_a 52.9723464
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_... |
SuperCellAction | d953caf5-2b58-4424-94be-6d7cefc2e76d | mp-705004 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30Li2Ni2P10O30
_chemical_formula_sum "Li16 Ni16 P80 O240"
_cell_length_a 9.493576
_cell_length_b 10.769426
_cell_length_c 52.886077920000005
_cell_angle_alpha ... |
SuperCellAction | 794d2aff-56ba-4b31-923c-4c47cd53593d | mp-1022621 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg12Zn2Cu2Mg12Zn2Cu2
_chemical_formula_sum "Mg24 Zn4 Cu4"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 21.10133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 99e010bb-56c8-4f2f-ba57-8d7695c2660c | mp-2218385 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4MgMn4O4F4
_chemical_formula_sum "Mg8 Mn32 O32 F32"
_cell_length_a 20.924311
_cell_length_b 12.30709722
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle... |
SuperCellAction | f2c4c2ed-50f7-459c-8952-9d46365be618 | mp-1036452 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg14AlBiO16Mg14AlBiO16Mg14AlBiO16
_chemical_formula_sum "Mg42 Al3 Bi3 O48"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 13.136541000000001
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | ee31cc7e-139a-4b90-82cc-20a4f97e2782 | mp-706913 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20Be2H16N4O20
_chemical_formula_sum "Be16 H128 N32 O160"
_cell_length_a 35.45797584
_cell_length_b 17.72898792
_cell_length_c 8.86449396
_cell_angle_alpha 97.249520... |
SuperCellAction | 1df349fa-67cd-41bb-9187-f5dda9916dc9 | mp-766284 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Sr16Ru12O48Sr16Ru12O48Sr16Ru12O48Sr16Ru12O48Sr16Ru12O48Sr16Ru12O48
_chemical_formula_sum "Sr96 Ru72 O288"
_cell_length_a 11.152958
_cell_length_b 9.793504
_cell_length_c 54.997905
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 68d0b43c-4870-48bf-a648-c7203c553c66 | mp-1245691 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural V8Fe56N32
_chemical_formula_sum "V8 Fe56 N32"
_cell_length_a 9.80419857
_cell_length_b 9.80419857
_cell_length_c 9.80419857
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V8Fe56N32V8Fe56N32V8Fe56N32V8Fe56N32V8Fe56N32V8Fe56N32
_chemical_formula_sum "V48 Fe336 N192"
_cell_length_a 9.80419857
_cell_length_b 19.60839714
_cell_length_c 29.41259571
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 049ef9ce-cc78-4222-8bb4-2d07413158f4 | mp-1073789 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si6Mg6Si6Mg6Si6Mg6Si6Mg6Si6Mg6Si6Mg6Si6Mg6Si6
_chemical_formula_sum "Mg48 Si48"
_cell_length_a 24.52241124
_cell_length_b 6.130602809999999
_cell_length_c 22.13240998
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.416409849... |
SuperCellAction | 2337c723-ea33-497d-9f21-26510ae2b365 | mp-18561 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ga4As2Rh10Ga4As2Rh10
_chemical_formula_sum "Ga8 As4 Rh20"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 20.3923343
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 7fab3342-1a5e-486c-8907-4855970e2ab3 | mp-703276 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Ca5Al11TlSi13O48
_chemical_formula_sum "Ca5 Al11 Tl1 Si13 O48"
_cell_length_a 12.320894
_cell_length_b 12.39592088
_cell_length_c 12.54557697
_cell_angle_alpha 89.49723168000001
_cell_angle_beta 89.72696025
_cell_angle_gamma 89.6156... | data_image0
_chemical_formula_structural Ca5Al11TlSi13O48Ca5Al11TlSi13O48Ca5Al11TlSi13O48Ca5Al11TlSi13O48Ca5Al11TlSi13O48Ca5Al11TlSi13O48
_chemical_formula_sum "Ca30 Al66 Tl6 Si78 O288"
_cell_length_a 12.320894
_cell_length_b 37.187762639999995
_cell_length_c 25.09115394
_cell_angle... |
SuperCellAction | 11287054-ae4c-467a-ac8a-a8cf1e20f0fc | mp-756652 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O16Co4P4O16Co4P4O16Co4P4O16Co4P4O16Co4P4O16Co4P4O16Co4P4O16
_chemical_formula_sum "Co32 P32 O128"
_cell_length_a 5.737084
_cell_length_b 12.861237180000002
_cell_length_c 37.03355056
_cell_angle_alpha 73.74975102000002
_cell_angle_bet... |
SuperCellAction | e4e59926-e4ee-46da-95fc-a93482b192ef | mp-758643 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural V4C8O24V4C8O24V4C8O24V4C8O24
_chemical_formula_sum "V16 C32 O96"
_cell_length_a 28.536504
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | c89ca003-4c20-42cd-b4af-f964e1a5e795 | mp-1521558 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural BaCaCeHfO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Hf1 O6"
_cell_length_a 6.07907498
_cell_length_b 6.07907498
_cell_length_c 6.07907498
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeHfO6BaCaCeHfO6BaCaCeHfO6BaCaCeHfO6BaCaCeHfO6BaCaCeHfO6BaCaCeHfO6BaCaCeHfO6
_chemical_formula_sum "Ba8 Ca8 Ce8 Hf8 O48"
_cell_length_a 12.15814996
_cell_length_b 6.07907498
_cell_length_c 24.31629992
_cell_angle_alpha 59.9999999999999... |
SuperCellAction | c11867e1-a343-458c-aefc-09ae10a13e6a | mp-772524 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24Li2Ti4P6O24
_chemical_formula_sum "Li12 Ti24 P36 O144"
_cell_length_a 16.661906
_cell_length_b 8.38168201
_cell_length_c 26.998675259999995
_cell_angle_alpha 90.22714122
_cell_angle_be... |
SuperCellAction | 5e47980c-c81f-4d23-bcbe-4caf604118ba | mp-755871 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural V6O7F5
_chemical_formula_sum "V6 O7 F5"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 7.39209879
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V6O7F5V6O7F5V6O7F5V6O7F5
_chemical_formula_sum "V24 O28 F20"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 29.56839516
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_spa... |
SuperCellAction | af2f5e0a-df59-40fa-ae16-45fe26632f38 | mp-1199756 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Co4N28O32
_chemical_formula_sum "Co4 N28 O32"
_cell_length_a 6.134346
_cell_length_b 10.837765
_cell_length_c 16.253865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Co4N28O32Co4N28O32Co4N28O32Co4N28O32Co4N28O32Co4N28O32Co4N28O32Co4N28O32
_chemical_formula_sum "Co32 N224 O256"
_cell_length_a 12.268692
_cell_length_b 21.67553
_cell_length_c 32.50773
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | a89e3dab-cbd9-44fd-9099-1e9b307bc5cd | mp-1039932 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural NaLaMg30O32
_chemical_formula_sum "Na1 La1 Mg30 O32"
_cell_length_a 8.63751
_cell_length_b 8.63751
_cell_length_c 8.633607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural NaLaMg30O32NaLaMg30O32NaLaMg30O32
_chemical_formula_sum "Na3 La3 Mg90 O96"
_cell_length_a 25.912530000000004
_cell_length_b 8.63751
_cell_length_c 8.633607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 862808fe-6e85-4f90-ac2e-5ff26a1a4931 | mp-1217947 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24
_chemical_formula_sum "Ta24 Nb24 Ag48 O144"
_cell_length_a 11.228542
_cell_length_b 17.060184
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | f8c0110f-73aa-4534-878d-9b7c90092d47 | mp-1518357 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6Eu2HfNbO6
_chemical_formula_sum "Eu12 Hf6 Nb6 O36"
_cell_length_a 5.7699676
_cell_length_b 17.30990139
_cell_length_c 11.53993958
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.9999820399... |
SuperCellAction | 1cad09b8-ca5a-41f5-be41-d35126c98255 | mp-1198401 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Th4N12F28
_chemical_formula_sum "Th4 N12 F28"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 14.488789
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Th4N12F28Th4N12F28
_chemical_formula_sum "Th8 N24 F56"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 28.977578
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SuperCellAction | 4d049222-9bbe-4a74-b979-c4b6df66c14b | mp-555271 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Ba4Zn4Cl2F14
_chemical_formula_sum "Ba4 Zn4 Cl2 F14"
_cell_length_a 5.89018
_cell_length_b 7.831345
_cell_length_c 9.0590304
_cell_angle_alpha 73.1898838
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Zn4Cl2F14Ba4Zn4Cl2F14Ba4Zn4Cl2F14Ba4Zn4Cl2F14Ba4Zn4Cl2F14Ba4Zn4Cl2F14Ba4Zn4Cl2F14Ba4Zn4Cl2F14
_chemical_formula_sum "Ba32 Zn32 Cl16 F112"
_cell_length_a 23.56072
_cell_length_b 7.831345
_cell_length_c 18.1180608
_cell_angle_alpha 73.189... |
SuperCellAction | c6867370-e836-4a90-830d-5c8b607ac2c6 | mp-1191974 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16Ca2Ge2P4O16
_chemical_formula_sum "Ca12 Ge12 P24 O96"
_cell_length_a 16.75925002
_cell_length_b 25.138875029999998
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_b... |
SuperCellAction | 2b0c5aaa-9483-4948-9a63-6072b22032d9 | mp-755971 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeO8Li2Mn3TeO8Li2Mn3TeO8Li2Mn3TeO8Li2Mn3TeO8Li2Mn3TeO8
_chemical_formula_sum "Li12 Mn18 Te6 O48"
_cell_length_a 12.47887978
_cell_length_b 6.24039368
_cell_length_c 18.71902386
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56... |
SuperCellAction | c104db44-ee92-4f0b-86dc-809d16cf678d | mp-2226963 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaMgW2O8Rb3NaMgW2O8Rb3NaMgW2O8Rb3NaMgW2O8Rb3NaMgW2O8Rb3NaMgW2O8
_chemical_formula_sum "Rb18 Na6 Mg6 W12 O48"
_cell_length_a 14.38762214
_cell_length_b 18.75847299
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta ... |
SuperCellAction | c191d8d7-0d77-4cd7-9657-b4f358ca925f | mp-1206898 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Y4In2Ge4Y4In2Ge4Y4In2Ge4Y4In2Ge4Y4In2Ge4Y4In2Ge4
_chemical_formula_sum "Y24 In12 Ge24"
_cell_length_a 12.492219
_cell_length_b 14.868232
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | b7a25ee4-e604-4c75-9abb-1a6d628c9ec7 | mp-752535 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Ta2In6O14
_chemical_formula_sum "Ta2 In6 O14"
_cell_length_a 6.43051677
_cell_length_b 6.43051677
_cell_length_c 7.316525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.47602686
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta2In6O14Ta2In6O14Ta2In6O14Ta2In6O14Ta2In6O14Ta2In6O14Ta2In6O14Ta2In6O14
_chemical_formula_sum "Ta16 In48 O112"
_cell_length_a 12.86103354
_cell_length_b 12.86103354
_cell_length_c 14.63305
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | f251b2fc-c9fa-46f5-a101-323dda8d7f39 | mp-1200969 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural B12Pb12N4O40B12Pb12N4O40B12Pb12N4O40B12Pb12N4O40B12Pb12N4O40B12Pb12N4O40B12Pb12N4O40B12Pb12N4O40
_chemical_formula_sum "B96 Pb96 N32 O320"
_cell_length_a 8.00912257
_cell_length_b 20.73442356
_cell_length_c 44.38320316
_cell_angle_alpha 90... |
SuperCellAction | 8c10cba0-0111-46ae-ab2a-99c0c5a6757b | mp-557123 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32Na8Cu4Si12O32
_chemical_formula_sum "Na32 Cu16 Si48 O128"
_cell_length_a 20.821114
_cell_length_b 16.025624
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 3698ba1a-908a-46c2-af61-f055760a17d6 | mp-1209411 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4Pr8Si12Pd4
_chemical_formula_sum "Pr64 Si96 Pd32"
_cell_length_a 8.28889643
_cell_length_b 33.15558572
_cell_length_c 17.2127
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | a9b9bd07-160f-40ed-8f99-fd38d01f475d | mp-2230889 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12MgV5FeO12MgV5FeO12MgV5FeO12
_chemical_formula_sum "Mg4 V20 Fe4 O48"
_cell_length_a 6.96162261
_cell_length_b 27.56379964
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma ... |
SuperCellAction | 872f4c56-663b-40e3-9bae-6484d5a62ec0 | mp-1175318 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O24Li14Mn10O24Li14Mn10O24Li14Mn10O24
_chemical_formula_sum "Li56 Mn40 O96"
_cell_length_a 23.7672788
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_c... |
SuperCellAction | f8e36ed9-b011-49bb-892b-bd61c134d40a | mp-1017159 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2Rb2Mg12C2
_chemical_formula_sum "Rb12 Mg72 C12"
_cell_length_a 3.283259
_cell_length_b 16.622512
_cell_length_c 43.742127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 7d1f2434-9eb9-4229-a9ed-4762e3ff110d | mp-1198084 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O27Ca6S6O27Ca6S6O27Ca6S6O27
_chemical_formula_sum "Ca24 S24 O108"
_cell_length_a 19.00771456
_cell_length_b 9.503857279999998
_cell_length_c 24.40103032
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell... |
SuperCellAction | 97ec56a3-0ffb-44c8-9947-c21139d04548 | mp-1028157 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCuMg14MnCu
_chemical_formula_sum "Mg112 Mn8 Cu8"
_cell_length_a 12.51838616
_cell_length_b 6.25859688
_cell_length_c 39.67804972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | b6329146-43bd-4ae2-bbdb-6152a8e5534e | mp-541221 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30Ba6H12N12O30
_chemical_formula_sum "Ba36 H72 N72 O180"
_cell_length_a 14.351418
_cell_length_b 7.1757089999999994
_cell_length_c 54.677049
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 24265bba-f106-4f17-aaef-da797ffa5aed | mp-769628 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16Li8V6Cr2O16Li8V6Cr2O16Li8V6Cr2O16
_chemical_formula_sum "Li32 V24 Cr8 O64"
_cell_length_a 20.70814888
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813... |
SuperCellAction | 1c8b35da-fc44-4179-8db2-ec873085dc2a | mp-697575 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16
_chemical_formula_sum "Rb24 Zn12 H48"
_cell_length_a 6.00913377
_cell_length_b 24.402295170000002
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 5288654e-e1b3-4cb9-988f-9dbe8943d702 | mp-1042619 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12
_chemical_formula_sum "Mg8 Cu24 Sn32 O96"
_cell_length_a 6.68046281
_cell_length_b 26.72185124
_cell_length_c 13.36092562
_cell_angle_alpha 109.471220... |
SuperCellAction | 6604c514-8285-4aec-8650-8bb57d474608 | mp-753904 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Mn7O7F
_chemical_formula_sum "Mn7 O7 F1"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 19.569485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn7O7FMn7O7F
_chemical_formula_sum "Mn14 O14 F2"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 39.13897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt "... |
SuperCellAction | 3c59742e-558f-4796-8b3e-0cd1e108aaac | mp-721707 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12H24C12N16O12H24C12N16O12H24C12N16O12H24C12N16O12H24C12N16O12H24C12N16O12H24C12N16O12
_chemical_formula_sum "H192 C96 N128 O96"
_cell_length_a 20.04986936
_cell_length_b 5.01246734
_cell_length_c 42.81061556
_cell_angle_alpha 86... |
SuperCellAction | cd82a211-410b-4ca6-ba21-f7db33b8d787 | mp-756068 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Li4V4O4F12Li4V4O4F12Li4V4O4F12Li4V4O4F12Li4V4O4F12Li4V4O4F12
_chemical_formula_sum "Li24 V24 O24 F72"
_cell_length_a 5.144357
_cell_length_b 18.099083999999998
_cell_length_c 19.806446
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | dafcc160-0c76-4e8e-a1c7-b0c46a472fad | mp-1246932 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24Ba28Hf4N24
_chemical_formula_sum "Ba168 Hf24 N144"
_cell_length_a 25.02655
_cell_length_b 21.827265
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | e30956c8-d67f-42b1-8353-c5c22c59b830 | mp-736701 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40P16Pt4I4O40
_chemical_formula_sum "P128 Pt32 I32 O320"
_cell_length_a 22.055377
_cell_length_b 44.193296
_cell_length_c 33.82505274
_cell_angle_alpha 60.475079529... |
SuperCellAction | 2159be35-fe3a-46ef-bb77-2621b96ae1fe | mp-2228606 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2LaMgCu3O7Ba2LaMgCu3O7
_chemical_formula_sum "Ba4 La2 Mg2 Cu6 O14"
_cell_length_a 7.5900811
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | c9281eff-2fa1-40d4-85ef-918bb750318f | mp-608551 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ti2Al4Br16Ti2Al4Br16Ti2Al4Br16Ti2Al4Br16Ti2Al4Br16Ti2Al4Br16
_chemical_formula_sum "Ti12 Al24 Br96"
_cell_length_a 19.208205
_cell_length_b 20.93878
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 91a07e09-1f6c-400f-8111-c96397ab09d6 | mp-1246724 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural K12W2N8K12W2N8K12W2N8K12W2N8K12W2N8K12W2N8
_chemical_formula_sum "K72 W12 N48"
_cell_length_a 8.235276
_cell_length_b 24.705828000000004
_cell_length_c 13.535744
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 87ab2348-db10-4d49-b8ff-fd02f237cc03 | mp-1207481 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14
_chemical_formula_sum "Zn3 Sb1 As2 Pb3 O14"
_cell_length_a 8.67683789
_cell_length_b 8.67683789
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999912
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14Zn3SbAs2Pb3O14Zn3SbAs2Pb3O14
_chemical_formula_sum "Zn9 Sb3 As6 Pb9 O42"
_cell_length_a 8.67683789
_cell_length_b 26.03051367
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99... |
SuperCellAction | 52416f8d-3b31-43b3-9786-be3312aaef78 | mp-554704 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20Ti4P4H4O20
_chemical_formula_sum "Ti32 P32 H32 O160"
_cell_length_a 14.32754
_cell_length_b 14.97002
_cell_length_c 14.971870999999998
_cell_angle_alpha 63.1558153599999... |
SuperCellAction | 18ef9ffa-af1a-4b4b-b712-403d1121c6a8 | mp-774789 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li16 Ti8 Co12 Sb12 O64"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 21.27558466
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle... |
SuperCellAction | 8849341d-8b99-45b1-954e-c3ab85c05209 | mp-1223525 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16KLa7Cu4O16
_chemical_formula_sum "K6 La42 Cu24 O96"
_cell_length_a 27.30654856
_cell_length_b 13.65327428
_cell_length_c 40.959822839999994
_cell_angle_alpha 157.12581394
_cell_angle_beta ... |
SuperCellAction | 164afce3-7364-43cb-ba41-8a4b2a100664 | mp-1211239 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40
_chemical_formula_sum "Nd32 S48 O320"
_cell_length_a 6.92283015
_cell_length_b 13.8456603
_cell_length_c 80.26278448
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.474... |
SuperCellAction | b605a606-aad4-49df-b560-9bf0dbea78f4 | mp-995217 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural H8C12H8C12H8C12H8C12H8C12H8C12H8C12H8C12
_chemical_formula_sum "H64 C96"
_cell_length_a 28.6247392
_cell_length_b 14.3123696
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.... |
SuperCellAction | 65957cab-7bfa-45df-b3f6-9f08982fcf44 | mp-24123 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Rb2B12H12
_chemical_formula_sum "Rb2 B12 H12"
_cell_length_a 7.69311963
_cell_length_b 7.69311963
_cell_length_c 7.69311963
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2B12H12Rb2B12H12Rb2B12H12Rb2B12H12Rb2B12H12Rb2B12H12Rb2B12H12Rb2B12H12
_chemical_formula_sum "Rb16 B96 H96"
_cell_length_a 30.77247852
_cell_length_b 7.69311963
_cell_length_c 15.38623926
_cell_angle_alpha 59.99999999999999
_cell_angle_b... |
SuperCellAction | 1bb716ad-c692-4e01-8cd3-d10f1eec6b7f | mp-849460 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Mn8O4F12
_chemical_formula_sum "Mn8 O4 F12"
_cell_length_a 4.769088
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn8O4F12Mn8O4F12Mn8O4F12Mn8O4F12
_chemical_formula_sum "Mn32 O16 F48"
_cell_length_a 19.076352
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 36d382c1-cc42-4720-97bb-74d5996a176c | mp-1219829 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Re2S16N2O4
_chemical_formula_sum "Re2 S16 N2 O4"
_cell_length_a 7.860381
_cell_length_b 8.74623012
_cell_length_c 10.20727706
_cell_angle_alpha 83.87596624
_cell_angle_beta 77.61601136000002
_cell_angle_gamma 78.20883059
_space_gro... | data_image0
_chemical_formula_structural Re2S16N2O4Re2S16N2O4Re2S16N2O4Re2S16N2O4Re2S16N2O4Re2S16N2O4
_chemical_formula_sum "Re12 S96 N12 O24"
_cell_length_a 15.720762
_cell_length_b 8.74623012
_cell_length_c 30.621831179999997
_cell_angle_alpha 83.87596624
_cell_angle_beta 7... |
SuperCellAction | cc54da47-6d09-491f-b5f8-b8481c546c70 | mp-504385 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48
_chemical_formula_sum "Li48 Fe32 P48 O192"
_cell_length_a 8.799042
_cell_length_b 33.887656
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | e1e1225a-0603-44a5-81ca-960b77256319 | mp-726253 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9RbLi3S2O9RbLi3S2O9RbLi3S2O9
_chemical_formula_sum "Rb4 Li12 S8 O36"
_cell_length_a 5.101571
_cell_length_b 10.832252219999999
_cell_length_c 17.05915018
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_g... |
SuperCellAction | 0cb167e5-9e83-428b-92cb-be564b495505 | mp-580525 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Dy12Ni12Sn24Dy12Ni12Sn24Dy12Ni12Sn24
_chemical_formula_sum "Dy36 Ni36 Sn72"
_cell_length_a 13.323639
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | da7197e5-6b94-456d-a70d-f7e9b0f67ef7 | mp-754649 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Mn2C2S2O14
_chemical_formula_sum "Mn2 C2 S2 O14"
_cell_length_a 6.220934
_cell_length_b 5.141389
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2C2S2O14Mn2C2S2O14Mn2C2S2O14Mn2C2S2O14Mn2C2S2O14Mn2C2S2O14
_chemical_formula_sum "Mn12 C12 S12 O84"
_cell_length_a 18.662802
_cell_length_b 10.282778
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 3b8d126a-788d-45f6-aa75-425e55907f60 | mp-17691 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12Cu12Sb4S12
_chemical_formula_sum "Cu72 Sb24 S72"
_cell_length_a 19.624389
_cell_length_b 16.198118
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 957ed5f4-bf31-4722-baab-d02bfac89f86 | mp-1023480 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Mg12Al2Ni2Mg12Al2Ni2Mg12Al2Ni2Mg12Al2Ni2
_chemical_formula_sum "Mg48 Al8 Ni8"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 41.87116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
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