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 | 6b070a8e-3f0b-44c7-9200-0cff8d45fa52 | mp-984755 | Create a supercell with the size 1x2x4. | 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 Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22Nb8Ag4O22
_chemical_formula_sum "Nb64 Ag32 O176"
_cell_length_a 13.2430866
_cell_length_b 26.486173200000003
_cell_length_c 52.97234468
_cell_angle_alpha 27.34979933000001
_cel... |
SuperCellAction | 10beb377-99bf-4d74-8f96-a718fd0928af | mp-756100 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... | data_image0
_chemical_formula_structural Li2Fe2F8Li2Fe2F8Li2Fe2F8Li2Fe2F8
_chemical_formula_sum "Li8 Fe8 F32"
_cell_length_a 6.05218545
_cell_length_b 12.1043709
_cell_length_c 10.64750494
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamm... |
SuperCellAction | d0142f49-ad00-420d-9c3a-56b9ef277c8d | mp-1216993 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural U2Co3CuGe4
_chemical_formula_sum "U2 Co3 Cu1 Ge4"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 9.806505
_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 U2Co3CuGe4U2Co3CuGe4U2Co3CuGe4
_chemical_formula_sum "U6 Co9 Cu3 Ge12"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 29.419514999999997
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 447f9d0b-76c1-4447-b2ec-3a222457eefc | mp-1229042 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24Al9Fe2Si4O24Al9Fe2Si4O24Al9Fe2Si4O24
_chemical_formula_sum "Al36 Fe8 Si16 O96"
_cell_length_a 18.54132524
_cell_length_b 9.27066262
_cell_length_c 11.42072986
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell... |
SuperCellAction | 70e9ad6b-17ed-40e1-83ca-1a256acddf3e | mp-758894 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24
_chemical_formula_sum "Li32 Ti16 Te48 O192"
_cell_length_a 34.083628
_cell_length_b 7.079706
_cell_length_c 14.5921331
_cell_angle_alpha 87.35... |
SuperCellAction | e20b8ece-e1b2-4ee7-a8f6-934bf4a1040a | mp-1196371 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Ce2Cu12P6O42
_chemical_formula_sum "Ce2 Cu12 P6 O42"
_cell_length_a 5.769265
_cell_length_b 13.090704
_cell_length_c 13.12293819
_cell_angle_alpha 60.443047209999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce2Cu12P6O42Ce2Cu12P6O42Ce2Cu12P6O42Ce2Cu12P6O42Ce2Cu12P6O42Ce2Cu12P6O42
_chemical_formula_sum "Ce12 Cu72 P36 O252"
_cell_length_a 5.769265
_cell_length_b 26.181408
_cell_length_c 39.36881457
_cell_angle_alpha 60.44304720999998
_cell_angle... |
SuperCellAction | 6546379e-cef8-40b2-aaef-c0df8cf653cc | mp-1209763 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20
_chemical_formula_sum "Rb32 Eu16 F80"
_cell_length_a 14.039986
_cell_length_b 15.51558
_cell_length_c 11.718263
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 645684e7-1801-4d42-b663-30231ed83763 | mp-1188770 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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_IT... | data_image0
_chemical_formula_structural Er12Co4Er12Co4
_chemical_formula_sum "Er24 Co8"
_cell_length_a 12.209192
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
SuperCellAction | b98f1d68-a74f-4fb9-9706-842bf175c4e2 | mp-772660 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4Cr4O16Nb4Cr4O16Nb4Cr4O16
_chemical_formula_sum "Nb12 Cr12 O48"
_cell_length_a 4.5187362
_cell_length_b 34.853196540000006
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.999... |
SuperCellAction | d7616eba-2779-408c-9df1-4cfc2b82bbf4 | mp-600038 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si10O20Si10O20Si10O20Si10O20Si10O20Si10O20
_chemical_formula_sum "Si60 O120"
_cell_length_a 13.81934545
_cell_length_b 13.8211673
_cell_length_c 19.25699664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 7a6c401d-e771-4551-8b65-89270292bcb9 | mp-531064 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56K8Mo24Br56K8Mo24Br56K8Mo24Br56
_chemical_formula_sum "K32 Mo96 Br224"
_cell_length_a 14.128482
_cell_length_b 57.411664
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | faee7c89-5ccd-450d-85e3-ae3535382acc | mp-1518110 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6SrEuYCoO6
_chemical_formula_sum "Sr2 Eu2 Y2 Co2 O12"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 11.401714279999998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
SuperCellAction | 96b2c864-4c80-4a0b-b6a6-0ddf74b18ba7 | mp-1224634 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24In9Ga3Bi4S24In9Ga3Bi4S24In9Ga3Bi4S24
_chemical_formula_sum "In36 Ga12 Bi16 S96"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 50.39607012
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 94eada9e-1b82-414a-87ba-01d857f51949 | mp-21286 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4Mn4Co4Ge4Mn4Co4Ge4
_chemical_formula_sum "Mn12 Co12 Ge12"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 20.703350099999998
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | dbeea659-e55f-40b1-b3e0-1217fc0e733d | mp-1111080 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6K3GaF6K3GaF6K3GaF6K3GaF6K3GaF6
_chemical_formula_sum "K18 Ga6 F36"
_cell_length_a 12.30094968
_cell_length_b 6.15047484
_cell_length_c 18.45142452
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_ang... |
SuperCellAction | 31d4a4b5-d627-447c-a5b5-02da05bc092d | mp-1237261 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3MnF12Ba3MnF12Ba3MnF12Ba3MnF12Ba3MnF12Ba3MnF12
_chemical_formula_sum "Ba18 Mn6 F72"
_cell_length_a 16.33472726
_cell_length_b 8.16736363
_cell_length_c 20.40028704
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angl... |
SuperCellAction | f3b6d031-d509-4db3-a4f9-f659d962b856 | mp-1198355 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44Sr4B22O44
_chemical_formula_sum "Sr32 B176 O352"
_cell_length_a 41.906216
_cell_length_b 6.71541
_cell_length_c 26.98776428
_cell_angle_alpha 60.48476556999999
_cell_angle_beta... |
SuperCellAction | 549accee-a6f9-4010-8c53-089a6ae59d3e | mp-1519604 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Sr4Eu2W2O12
_chemical_formula_sum "Sr4 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_group_... | data_image0
_chemical_formula_structural Sr4Eu2W2O12Sr4Eu2W2O12Sr4Eu2W2O12Sr4Eu2W2O12
_chemical_formula_sum "Sr16 Eu8 W8 O48"
_cell_length_a 23.52106656
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_... |
SuperCellAction | a4a59fc9-b350-4f73-975c-72cb91b5e982 | mp-753615 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4
_chemical_formula_sum "Li12 Mn12 O16 F16"
_cell_length_a 11.6075849
_cell_length_b 6.04470894
_cell_length_c 12.14189058
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_ga... |
SuperCellAction | ed8b5c5a-ee3d-4b26-9374-779423e13e4c | mp-14550 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Ti4Cd4O12
_chemical_formula_sum "Ti4 Cd4 O12"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_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 Ti4Cd4O12Ti4Cd4O12Ti4Cd4O12
_chemical_formula_sum "Ti12 Cd12 O36"
_cell_length_a 5.369678
_cell_length_b 16.459917
_cell_length_c 7.718095
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 968f5a38-1a3d-4989-96b4-25e79aeab67b | mp-753161 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8Li8V4O8F8
_chemical_formula_sum "Li64 V32 O64 F64"
_cell_length_a 11.69808432
_cell_length_b 10.165467960000003
_cell_length_c 23.89426016
_cell_angle_alpha 106.60283058
_cell_... |
SuperCellAction | 28738a09-6bd0-4c03-9279-42c2d49f314d | mp-677070 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural V18Ni2O30
_chemical_formula_sum "V18 Ni2 O30"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V18Ni2O30V18Ni2O30V18Ni2O30V18Ni2O30
_chemical_formula_sum "V72 Ni8 O120"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 36.37529552
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.01... |
SuperCellAction | 2ee78585-f807-4a31-8466-07e97cc9fc77 | mp-23675 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2H8Br2N2H8Br2N2H8Br2N2
_chemical_formula_sum "H32 Br8 N8"
_cell_length_a 16.4269158
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 8ba7666b-c2d5-4825-ab11-8db7aae4f6b5 | mp-761404 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Co10Cu2O16
_chemical_formula_sum "Co10 Cu2 O16"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamma 9... | data_image0
_chemical_formula_structural Co10Cu2O16Co10Cu2O16Co10Cu2O16Co10Cu2O16Co10Cu2O16Co10Cu2O16
_chemical_formula_sum "Co60 Cu12 O96"
_cell_length_a 5.70306307
_cell_length_b 19.941271519999997
_cell_length_c 17.10895827
_cell_angle_alpha 73.38625429
_cell_angle_beta 11... |
SuperCellAction | 5a6b816b-8a42-4675-8471-71e240b8aa06 | mp-30210 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2La10Sn6Cl2La10Sn6Cl2La10Sn6Cl2La10Sn6Cl2La10Sn6Cl2La10Sn6Cl2La10Sn6Cl2
_chemical_formula_sum "La80 Sn48 Cl16"
_cell_length_a 9.64466193
_cell_length_b 38.57862668
_cell_length_c 13.96700342
_cell_angle_alpha 90.00002461
_cell_ang... |
SuperCellAction | 5665e59e-4840-4333-92e6-38f03627456f | mp-1226157 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12Cs2TiW3O12Cs2TiW3O12
_chemical_formula_sum "Cs6 Ti3 W9 O36"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 21.772306200000003
_cell_angle_alpha 60.40379136999999
_cell_angle_beta 60.40379136999999
_cell_an... |
SuperCellAction | 7743a10c-d9eb-4921-a847-6bde8241d86b | mp-1177469 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Li4Mn3Fe3O12
_chemical_formula_sum "Li4 Mn3 Fe3 O12"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn3Fe3O12Li4Mn3Fe3O12Li4Mn3Fe3O12Li4Mn3Fe3O12Li4Mn3Fe3O12Li4Mn3Fe3O12
_chemical_formula_sum "Li24 Mn18 Fe18 O72"
_cell_length_a 10.267564
_cell_length_b 18.020787180000003
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_ang... |
SuperCellAction | 42dac6c4-7b38-46ec-8163-8cd43d77e567 | mp-1210214 | Create a supercell with the size 2x1x1. | 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 11.17046
_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_na... |
SuperCellAction | 8f866155-7643-46a5-bbea-61a2d761f53f | mp-4584 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2O6Tl6B2O6Tl6B2O6Tl6B2O6Tl6B2O6Tl6B2O6Tl6B2O6Tl6B2O6
_chemical_formula_sum "Tl48 B16 O48"
_cell_length_a 37.1338262
_cell_length_b 9.28345696
_cell_length_c 7.5241121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | dfc2447f-1ed9-4508-b904-30ccb26d45d0 | mp-1105236 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural FeCu6Sn2S8
_chemical_formula_sum "Fe1 Cu6 Sn2 S8"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_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 FeCu6Sn2S8FeCu6Sn2S8FeCu6Sn2S8FeCu6Sn2S8
_chemical_formula_sum "Fe4 Cu24 Sn8 S32"
_cell_length_a 15.546134
_cell_length_b 15.546134
_cell_length_c 5.45241
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | a05f93e2-8393-4e92-b919-645a56612cc0 | mp-1096809 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16Al8Zn4S16
_chemical_formula_sum "Al64 Zn32 S128"
_cell_length_a 5.910544
_cell_length_b 14.44362
_cell_length_c 49.899944
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | ad23ab57-3099-4086-aff0-51db3acb1962 | mp-6144 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Na2La2Ti3O10
_chemical_formula_sum "Na2 La2 Ti3 O10"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na2La2Ti3O10Na2La2Ti3O10Na2La2Ti3O10Na2La2Ti3O10Na2La2Ti3O10Na2La2Ti3O10
_chemical_formula_sum "Na12 La12 Ti18 O60"
_cell_length_a 14.69641334
_cell_length_b 29.39282668
_cell_length_c 44.08924002
_cell_angle_alpha 164.86303528999997
_cell... |
SuperCellAction | df6a7c93-fd97-44bc-a8f1-7bd400f4b62a | mp-755978 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10
_chemical_formula_sum "Ni24 O8 F40"
_cell_length_a 22.50795792
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamm... |
SuperCellAction | c75667ba-95fc-441f-932a-9f3bb24753df | mp-7152 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs16 Zr16 Cu16 Se48"
_cell_length_a 15.785448
_cell_length_b 16.76974054
_cell_length_c 10.286295
_cell_angle_alpha 90.... |
SuperCellAction | 78472e77-97b3-4ee9-b453-5832d0721395 | mp-758323 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24
_chemical_formula_sum "Li16 Ti24 Co8 P48 O192"
_cell_length_a 8.64736777
_cell_length_b 34.58947108
_cell_length_c 17.2947354
_cell_angle... |
SuperCellAction | 98662bda-7867-4ab0-be96-510a9f120aae | mp-30524 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Ti12O22
_chemical_formula_sum "Ti12 O22"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_group_na... | data_image0
_chemical_formula_structural Ti12O22Ti12O22Ti12O22Ti12O22Ti12O22Ti12O22Ti12O22Ti12O22
_chemical_formula_sum "Ti96 O176"
_cell_length_a 22.25740628
_cell_length_b 14.25603082
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cel... |
SuperCellAction | ea28336a-fb73-4f4f-9e90-2dd6a5debaaf | mp-11639 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6Rb4Ge2S6Rb4Ge2S6Rb4Ge2S6
_chemical_formula_sum "Rb16 Ge8 S24"
_cell_length_a 6.94579339
_cell_length_b 15.21359596
_cell_length_c 17.47037278
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_ga... |
SuperCellAction | b8998380-9677-428b-a7e2-e2a0985772c5 | mp-556333 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2K4Zn2Cu6P6O24F2K4Zn2Cu6P6O24F2K4Zn2Cu6P6O24F2
_chemical_formula_sum "K16 Zn8 Cu24 P24 O96 F8"
_cell_length_a 28.73112582
_cell_length_b 4.87981883
_cell_length_c 15.74012264
_cell_angle_alpha 89.91131838999999
_cell_angle_be... |
SuperCellAction | 373fb9f4-8704-4d27-b78e-5b073b30abde | mp-1037954 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural CsMg30AlO32
_chemical_formula_sum "Cs1 Mg30 Al1 O32"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_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 CsMg30AlO32CsMg30AlO32
_chemical_formula_sum "Cs2 Mg60 Al2 O64"
_cell_length_a 8.649622
_cell_length_b 17.299244
_cell_length_c 8.662416
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | b9a1719a-fb4a-4e23-bd72-debb328dce7e | mp-1176288 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 22.670106
_cell_length_b 10.36779
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 7243f56a-8d4d-4ad3-b16f-9beaaf7c39c8 | mp-1208067 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4
_chemical_formula_sum "Tm64 Cd16 Pd16"
_cell_length_a 18.99762364
_cell_length_b 18.99737784
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamm... |
SuperCellAction | 43f88fe6-95e7-4b1d-aad7-55366fc8b685 | mp-1205145 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O52Na8Ti4Si16H8O52Na8Ti4Si16H8O52Na8Ti4Si16H8O52Na8Ti4Si16H8O52Na8Ti4Si16H8O52
_chemical_formula_sum "Na48 Ti24 Si96 H48 O312"
_cell_length_a 7.446428
_cell_length_b 26.361047999999997
_cell_length_c 33.060528
_cell_angle_alpha ... |
SuperCellAction | 6a537dff-95bf-4f55-a4a6-93eb169bd35f | mp-1033461 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8BaMg6CrO8
_chemical_formula_sum "Ba8 Mg48 Cr8 O64"
_cell_length_a 17.50044804
_cell_length_b 4.70931995
_cell_length_c 18.8372798
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | 6eb7a387-42c8-435e-952c-546ff2ba175b | mp-1103256 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4Fe4Sb4Se4
_chemical_formula_sum "Fe32 Sb32 Se32"
_cell_length_a 24.37211908
_cell_length_b 12.402196
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta ... |
SuperCellAction | 725ba1a5-2e5a-4f58-a231-fd7e37d3752c | mp-1198143 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4Ca4B8H40O4
_chemical_formula_sum "Ca32 B64 H320 O32"
_cell_length_a 12.03858
_cell_length_b 32.209916
_cell_length_c 11.659561
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 83679533-9572-4970-bdd2-ad5a85d5ce1b | mp-758053 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8Nb2Cr2O8Nb2Cr2O8Nb2Cr2O8Nb2Cr2O8Nb2Cr2O8
_chemical_formula_sum "Nb12 Cr12 O48"
_cell_length_a 5.57055069
_cell_length_b 16.71164694
_cell_length_c 11.141115560000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_... |
SuperCellAction | 14c1ad1c-d914-41dc-b531-0436afa1d34e | mp-1221055 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na4 Mg8 Al24 V4 Si24 B12 H12 O124"
_cell_length_a 9.6145201
_cell_length_b 38.4580804
_cell_length_c 7.22996037
_cell_angle_alpha 75.427357... |
SuperCellAction | 8c48086e-c5a6-4ffd-b64d-3bd42c121383 | mp-23565 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14Cr4AgBiO14Cr4AgBiO14Cr4AgBiO14Cr4AgBiO14Cr4AgBiO14
_chemical_formula_sum "Cr24 Ag6 Bi6 O84"
_cell_length_a 22.14419586
_cell_length_b 14.76279724
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta ... |
SuperCellAction | 29416c1f-684f-43fa-acbc-5e072a2b4e0c | mp-1233440 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18MgGa4P6H6O18
_chemical_formula_sum "Mg2 Ga8 P12 H12 O36"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 16.20314322
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_... |
SuperCellAction | 911e6cf9-12ce-4e82-8ca7-c1db4ebc397f | mp-776448 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Ba2Nb6N2O14
_chemical_formula_sum "Ba2 Nb6 N2 O14"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space_group... | data_image0
_chemical_formula_structural Ba2Nb6N2O14Ba2Nb6N2O14
_chemical_formula_sum "Ba4 Nb12 N4 O28"
_cell_length_a 10.79420589
_cell_length_b 21.58841178
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
... |
SuperCellAction | fe6a6bf0-9919-48d0-99a5-7c941800bdc6 | mp-850204 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2O2F5Li5Co2O2F5Li5Co2O2F5Li5Co2O2F5Li5Co2O2F5Li5Co2O2F5
_chemical_formula_sum "Li30 Co12 O12 F30"
_cell_length_a 43.88701278
_cell_length_b 14.629004259999999
_cell_length_c 29.258008519999997
_cell_angle_alpha 168.43291069000003
_cel... |
SuperCellAction | 73f1ad3e-cde6-4c31-b11d-1d0f037c65ef | mp-761075 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44Ni4P16O44Ni4P16O44Ni4P16O44Ni4P16O44Ni4P16O44Ni4P16O44Ni4P16O44
_chemical_formula_sum "Ni32 P128 O352"
_cell_length_a 18.344508
_cell_length_b 36.82339088
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle... |
SuperCellAction | 3c96f384-5a22-4549-883e-4938fdfe123f | mp-1221008 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni24Sn49Nd9Ni24Sn49Nd9Ni24Sn49
_chemical_formula_sum "Nd27 Ni72 Sn147"
_cell_length_a 31.201585950000002
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_ga... |
SuperCellAction | 0ce9dbe5-8f3c-447b-a38b-79b0c7bd0b56 | mp-1022621 | Create a supercell with the size 1*2*4. | 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 Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2
_chemical_formula_sum "Mg96 Zn16 Cu16"
_cell_length_a 4.944464
_cell_length_b 11.997636
_cell_length_c 42.20266
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | d16f8c20-97b4-4aff-8d6a-065040d496cc | mp-1195048 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na16 Ca16 Mn48 Si80 H16 O240"
_cell_length_a 13.76401994
_cell_length_b 15.60865... |
SuperCellAction | 3d3af133-e2b8-4074-9f3d-3658d5f33ea2 | mp-1520689 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12BaSrTi4O12BaSrTi4O12BaSrTi4O12BaSrTi4O12BaSrTi4O12BaSrTi4O12BaSrTi4O12
_chemical_formula_sum "Ba8 Sr8 Ti32 O96"
_cell_length_a 5.5757866
_cell_length_b 11.1515732
_cell_length_c 31.51859548
_cell_angle_alpha 90.0
_cell_angle_beta... |
SuperCellAction | b1c809cb-0091-4dc0-a79e-df929795f653 | mp-1208808 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Sr4Li2Te2O12
_chemical_formula_sum "Sr4 Li2 Te2 O12"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Sr4Li2Te2O12Sr4Li2Te2O12Sr4Li2Te2O12Sr4Li2Te2O12
_chemical_formula_sum "Sr16 Li8 Te8 O48"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 32.28002868000001
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 1b935d53-a6cf-46b0-9f89-6b9c7b99bbba | mp-649415 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12K4Bi4N4Cl12O12
_chemical_formula_sum "K24 Bi24 N24 Cl72 O72"
_cell_length_a 25.594203
_cell_length_b 10.022379
_cell_length_c 20.90415374
_cell_angle_alpha 67.5248389200... |
SuperCellAction | aeb00a6b-cbb9-4b55-9145-0ebe1eefd094 | mp-540267 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14Cr2P4O14
_chemical_formula_sum "Cr12 P24 O84"
_cell_length_a 12.671752
_cell_length_b 6.415262979999999
_cell_length_c 20.715062610000004
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.743987... |
SuperCellAction | 66bedb44-0b54-445a-b8be-2b756126fde5 | mp-21322 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural V2Pb3O8
_chemical_formula_sum "V2 Pb3 O8"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734139999... | data_image0
_chemical_formula_structural V2Pb3O8V2Pb3O8V2Pb3O8V2Pb3O8V2Pb3O8V2Pb3O8
_chemical_formula_sum "V12 Pb18 O48"
_cell_length_a 22.63826937
_cell_length_b 15.092179580000002
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000... |
SuperCellAction | 061ec666-937b-4467-8a33-bef924ca4bf9 | mp-685444 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Mg11Fe30O56
_chemical_formula_sum "Mg11 Fe30 O56"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.03193310000001
_s... | data_image0
_chemical_formula_structural Mg11Fe30O56Mg11Fe30O56Mg11Fe30O56Mg11Fe30O56Mg11Fe30O56Mg11Fe30O56
_chemical_formula_sum "Mg66 Fe180 O336"
_cell_length_a 18.058545000000002
_cell_length_b 12.048136380000003
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_a... |
SuperCellAction | 8e7c4d6d-5114-49e0-a5bd-70a71c9f9d8a | mp-1182197 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12Nd4Mn4O12Nd4Mn4O12Nd4Mn4O12
_chemical_formula_sum "Nd16 Mn16 O48"
_cell_length_a 14.392943
_cell_length_b 28.156454
_cell_length_c 39.8187319
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | b8d3dd1f-9419-4cfa-ac35-50fc30cf482b | mp-1029037 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6MoW3Se2S6MoW3Se2S6MoW3Se2S6MoW3Se2S6MoW3Se2S6MoW3Se2S6MoW3Se2S6
_chemical_formula_sum "Mo8 W24 Se16 S48"
_cell_length_a 6.43976914
_cell_length_b 12.87953828
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 711b00a0-a249-4b15-ab61-a02f0cfd80bf | mp-1205276 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ru4N24Cl12O8
_chemical_formula_sum "Ru4 N24 Cl12 O8"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_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 Ru4N24Cl12O8Ru4N24Cl12O8
_chemical_formula_sum "Ru8 N48 Cl24 O16"
_cell_length_a 7.600382
_cell_length_b 22.839118
_cell_length_c 13.827968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SuperCellAction | 28bdbb06-5972-4bda-8758-fb0dac2fa677 | mp-2218579 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6Na2MgCu4O6Na2MgCu4O6Na2MgCu4O6
_chemical_formula_sum "Na8 Mg4 Cu16 O24"
_cell_length_a 8.55995958
_cell_length_b 19.33201066
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 9... |
SuperCellAction | 6fbff5eb-c043-459d-9d94-4c29645e095e | mp-1037436 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural YMg30CdO32
_chemical_formula_sum "Y1 Mg30 Cd1 O32"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_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 YMg30CdO32YMg30CdO32YMg30CdO32YMg30CdO32YMg30CdO32YMg30CdO32YMg30CdO32YMg30CdO32
_chemical_formula_sum "Y8 Mg240 Cd8 O256"
_cell_length_a 8.648656
_cell_length_b 34.594624
_cell_length_c 17.389942
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 025ce3dd-1db8-4bc4-8c60-08a8326d83dc | mp-567566 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12Ho7FeI12
_chemical_formula_sum "Ho56 Fe8 I96"
_cell_length_a 19.26606626
_cell_length_b 19.26606672
_cell_length_c 19.266066459999998
_cell_angle_alpha 107.05682541
_cell_angle_beta ... |
SuperCellAction | d3bcf45e-9251-446c-b407-fc5239cf2587 | mp-540477 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12Li2MnP4O12Li2MnP4O12Li2MnP4O12
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 5.000676
_cell_length_b 28.4534096
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_... |
SuperCellAction | eba86186-0984-476f-b1b6-0c3799e854e2 | mp-2459381 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural W2Br4O4
_chemical_formula_sum "W2 Br4 O4"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 W2Br4O4W2Br4O4W2Br4O4W2Br4O4W2Br4O4W2Br4O4W2Br4O4W2Br4O4
_chemical_formula_sum "W16 Br32 O32"
_cell_length_a 15.40421424
_cell_length_b 7.70105544
_cell_length_c 17.9671077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 2c111945-6f62-4dc3-ac30-a7243134c2c8 | mp-1182082 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Ca2Al2O4F8
_chemical_formula_sum "Ca2 Al2 O4 F8"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066999998... | data_image0
_chemical_formula_structural Ca2Al2O4F8Ca2Al2O4F8Ca2Al2O4F8Ca2Al2O4F8Ca2Al2O4F8Ca2Al2O4F8
_chemical_formula_sum "Ca12 Al12 O24 F48"
_cell_length_a 9.955436
_cell_length_b 6.81246392
_cell_length_c 21.184358010000004
_cell_angle_alpha 97.85664077999999
_cell_angle_beta... |
SuperCellAction | a184309f-ffba-4f05-b4aa-1a035a7b1e92 | mp-554704 | Create a supercell with the size 4×2×1. | 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 28.65508
_cell_length_b 14.97002
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999... |
SuperCellAction | ea46c859-aaf1-4bac-92d6-fddd84f7f4b1 | mp-1247259 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6Ca6Rh2N6Ca6Rh2N6Ca6Rh2N6
_chemical_formula_sum "Ca24 Rh8 N24"
_cell_length_a 29.17085656
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
... |
SuperCellAction | cf20960e-331c-4ca9-8e1e-fe26fc5288a4 | mp-1347506 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12
_chemical_formula_sum "Mg16 Cu8 Ir8 O48"
_cell_length_a 10.606956
_cell_length_b 10.145896
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 8e4c3021-f380-44c5-b708-e9c43986bdd5 | mp-1203790 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Si68
_chemical_formula_sum "Si68"
_cell_length_a 10.36662954
_cell_length_b 10.36662717
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Si408
_chemical_formula_sum "Si408"
_cell_length_a 20.73325908
_cell_length_b 31.099881509999996
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P... |
SuperCellAction | b48c9211-c4ef-425e-8fac-c0e9f3cdf869 | mp-778833 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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 Co6O6F6Co6O6F6Co6O6F6Co6O6F6
_chemical_formula_sum "Co24 O24 F24"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 35.994396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 5a5344f7-441a-477c-9a6b-be5867ce6d50 | mp-1045551 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Mg2Fe4O8
_chemical_formula_sum "Mg2 Fe4 O8"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_space... | data_image0
_chemical_formula_structural Mg2Fe4O8Mg2Fe4O8Mg2Fe4O8Mg2Fe4O8Mg2Fe4O8Mg2Fe4O8Mg2Fe4O8Mg2Fe4O8
_chemical_formula_sum "Mg16 Fe32 O64"
_cell_length_a 11.93237534
_cell_length_b 23.86475068
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.... |
SuperCellAction | 5733ecb3-bc10-4db2-82aa-88c8a45e6b5e | mp-559052 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28Li2Nb6Bi8O28Li2Nb6Bi8O28
_chemical_formula_sum "Li6 Nb18 Bi24 O84"
_cell_length_a 7.6946639
_cell_length_b 23.083991700000002
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle... |
SuperCellAction | 016f8b58-7169-41e4-b7ae-6444877ffdb0 | mp-753615 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4
_chemical_formula_sum "Li9 Mn9 O12 F12"
_cell_length_a 5.80379245
_cell_length_b 18.13412682
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.6... |
SuperCellAction | 1a2c2adc-61d8-47db-894a-83830b2302dd | mp-769018 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48
_chemical_formula_sum "Li32 Fe64 S96 O384"
_cell_length_a 17.63486
_cell_length_b 17.059138
_cell_length_c 29.38323118
_cell_angle_alpha 55.57... |
SuperCellAction | 5e35d53e-ce7b-47b5-ba91-e7dee10806d3 | mp-1212062 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural K8Dy4Cl20
_chemical_formula_sum "K8 Dy4 Cl20"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_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 K8Dy4Cl20K8Dy4Cl20K8Dy4Cl20K8Dy4Cl20K8Dy4Cl20K8Dy4Cl20
_chemical_formula_sum "K48 Dy24 Cl120"
_cell_length_a 7.91673287
_cell_length_b 25.63403922
_cell_length_c 25.33072556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | e95d0d90-c429-454b-8e2e-9dd59dcb1bc4 | mp-2218660 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Na4MgBi2O6
_chemical_formula_sum "Na4 Mg1 Bi2 O6"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000001
_... | data_image0
_chemical_formula_structural Na4MgBi2O6Na4MgBi2O6Na4MgBi2O6Na4MgBi2O6Na4MgBi2O6Na4MgBi2O6
_chemical_formula_sum "Na24 Mg6 Bi12 O36"
_cell_length_a 12.69811988
_cell_length_b 6.41998489
_cell_length_c 18.035492129999998
_cell_angle_alpha 82.04947734
_cell_angle_beta ... |
SuperCellAction | 6ff79896-b6a7-4f64-870e-0b1d94b833b9 | mp-758762 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe4P8O28Li4Fe4P8O28Li4Fe4P8O28Li4Fe4P8O28
_chemical_formula_sum "Li16 Fe16 P32 O112"
_cell_length_a 32.258596
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 90cd35de-d542-4957-af7f-dee050b5b714 | mp-1304017 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Li4Mn6Co2O16
_chemical_formula_sum "Li4 Mn6 Co2 O16"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31659584... | data_image0
_chemical_formula_structural Li4Mn6Co2O16Li4Mn6Co2O16
_chemical_formula_sum "Li8 Mn12 Co4 O32"
_cell_length_a 5.82743684
_cell_length_b 16.90735118
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma ... |
SuperCellAction | ec577f18-4e75-4c3d-ae97-bbdd1f8e9964 | mp-1224634 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24In9Ga3Bi4S24
_chemical_formula_sum "In18 Ga6 Bi8 S48"
_cell_length_a 3.884257
_cell_length_b 40.94568054
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | c965c45a-b848-4e8e-9720-8485e31481f8 | mp-541971 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Tm2Ni12P7
_chemical_formula_sum "Tm2 Ni12 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999999
_sp... | data_image0
_chemical_formula_structural Tm2Ni12P7Tm2Ni12P7Tm2Ni12P7Tm2Ni12P7Tm2Ni12P7Tm2Ni12P7Tm2Ni12P7Tm2Ni12P7
_chemical_formula_sum "Tm16 Ni96 P56"
_cell_length_a 17.90042888
_cell_length_b 35.80079952
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angl... |
SuperCellAction | 02b04f23-4ae3-483b-9592-35c2a3858093 | mp-1247520 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Ca6Re4N8
_chemical_formula_sum "Ca6 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_group_n... | data_image0
_chemical_formula_structural Ca6Re4N8Ca6Re4N8Ca6Re4N8Ca6Re4N8Ca6Re4N8Ca6Re4N8
_chemical_formula_sum "Ca36 Re24 N48"
_cell_length_a 7.07157795
_cell_length_b 27.570031800000002
_cell_length_c 10.73472412
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000... |
SuperCellAction | 0f5d01c3-c5f3-4643-8e6a-c8d1219d7b7d | mp-1172905 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6
_chemical_formula_sum "Ag12 Bi12 S24"
_cell_length_a 16.19376388
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space... |
SuperCellAction | 3b394ae0-42f0-43a2-bd1d-2b35f3f13dc6 | mp-772276 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4O20Cr4P4O20
_chemical_formula_sum "Cr8 P8 O40"
_cell_length_a 5.180952
_cell_length_b 16.77355712
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41... |
SuperCellAction | 4c21be37-ff9c-48fa-a335-07e7b39161df | mp-28092 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2B40H52O2B40H52O2B40H52O2
_chemical_formula_sum "B160 H208 O8"
_cell_length_a 26.82157126
_cell_length_b 13.41078563
_cell_length_c 20.79515374
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.3... |
SuperCellAction | 3e3789c0-c5eb-4373-bd57-445de99a6709 | mp-1519716 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24
_chemical_formula_sum "Pr32 Mg32 Bi64 O192"
_cell_length_a 33.74600248
_cell_length_b 16.87300124
_cell_length_c 8.43650062
_cell_angle_alpha ... |
SuperCellAction | 1c06c152-52b1-4735-97c3-516248665529 | mp-1197452 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8Ni4P4C20O8
_chemical_formula_sum "Ni32 P32 C160 O64"
_cell_length_a 28.51923008
_cell_length_b 21.0759276
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | f7fab6f5-40ca-40f6-9ed6-6e928e562497 | mp-1227514 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14Ca4Ga4Ge2O14Ca4Ga4Ge2O14Ca4Ga4Ge2O14Ca4Ga4Ge2O14Ca4Ga4Ge2O14
_chemical_formula_sum "Ca24 Ga24 Ge12 O84"
_cell_length_a 15.959886
_cell_length_b 15.773691
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angl... |
SuperCellAction | 637fee1c-6d1e-4f12-9f01-5550908115da | mp-17461 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28Na4Ti4P8O28
_chemical_formula_sum "Na32 Ti32 P64 O224"
_cell_length_a 32.146276
_cell_length_b 7.479749
_cell_length_c 19.69664348
_cell_angle_alpha 68.3281744499... |
SuperCellAction | 445db903-975c-4111-8529-c2e7c6f0b10b | mp-1179245 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20
_chemical_formula_sum "V36 H72 O120"
_cell_length_a 6.109909
_cell_length_b 26.72078103
_cell_length_c 18.144187860000002
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell... |
SuperCellAction | 3ca4842a-def5-47d8-8e6b-4b363d3155f7 | mp-1397105 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl18"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.73010008
_sp... | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18Rb2Nb6Cu2Cl18Rb2Nb6Cu2Cl18Rb2Nb6Cu2Cl18
_chemical_formula_sum "Rb8 Nb24 Cu8 Cl72"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 37.89837724
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744... |
SuperCellAction | 5d2bac0f-aefc-4bb5-b251-8fcadb6c1f18 | mp-1199467 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 Lu20Ge16Lu20Ge16Lu20Ge16
_chemical_formula_sum "Lu60 Ge48"
_cell_length_a 22.09271541
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 8337b6c0-bce6-48e7-bb34-375b09da6d59 | mp-569786 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Er8Pb4Se16
_chemical_formula_sum "Er8 Pb4 Se16"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_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 Er8Pb4Se16Er8Pb4Se16Er8Pb4Se16Er8Pb4Se16
_chemical_formula_sum "Er32 Pb16 Se64"
_cell_length_a 8.224818
_cell_length_b 25.134966
_cell_length_c 14.943412
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 1e1563c3-e59c-4b05-b937-886e6fe94f47 | mp-1197733 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Mg4S8O36
_chemical_formula_sum "Mg4 S8 O36"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Mg4S8O36Mg4S8O36Mg4S8O36Mg4S8O36
_chemical_formula_sum "Mg16 S32 O144"
_cell_length_a 6.761775
_cell_length_b 16.549214
_cell_length_c 25.146658
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | f95d3c74-e9f5-415c-9c4c-f73753d3624b | mp-736227 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural C16N16
_chemical_formula_sum "C16 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural C16N16C16N16C16N16C16N16C16N16C16N16C16N16C16N16
_chemical_formula_sum "C128 N128"
_cell_length_a 4.429825
_cell_length_b 19.124132
_cell_length_c 74.33778884
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 5e7fae30-90ae-469b-a03b-26c4395ebd6f | mp-1049235 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12
_chemical_formula_sum "La16 Ta16 Zn16 Cr16 O96"
_cell_length_a 22.900192
_cell_length_b 10.84569
_cell_length_c 10.002855... |
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