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 | 5b9193ab-b505-45ab-b7e5-429803fef6ed | mp-1195795 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22La4Y11S22La4Y11S22
_chemical_formula_sum "La12 Y33 S66"
_cell_length_a 59.55886539000001
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.... |
SuperCellAction | 5c47b431-2e5b-4656-83e2-1d60ae44315e | mp-2219699 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2MgRe2O8K2MgRe2O8K2MgRe2O8K2MgRe2O8K2MgRe2O8K2MgRe2O8
_chemical_formula_sum "K12 Mg6 Re12 O48"
_cell_length_a 11.09099122
_cell_length_b 19.13695713
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822... |
SuperCellAction | 0f9be681-8af1-42fa-bc48-eb4e7a8b5b39 | mp-667336 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64Cs16Zr12Te64Cs16Zr12Te64
_chemical_formula_sum "Cs48 Zr36 Te192"
_cell_length_a 19.784849
_cell_length_b 36.651624
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 451aa2e6-5450-467c-a92f-1dfa8081d1e6 | mp-1209541 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se3N3O12Se3N3O12Se3N3O12
_chemical_formula_sum "Se9 N9 O36"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 17.06647806
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.1... |
SuperCellAction | 0c97e8bd-95e3-4b22-8cbf-32769aef7a4c | mp-1217947 | Create a supercell with the size 2*1*4. | 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 Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24
_chemical_formula_sum "Ta32 Nb32 Ag64 O192"
_cell_length_a 11.228542
_cell_length_b 5.686728
_cell_length_c 63.407536
_cell_angle_alpha 90.0
_... |
SuperCellAction | a9077f67-e9a1-4db6-a38c-b70ea0286273 | mp-675510 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural As8Pd10Pb2
_chemical_formula_sum "As8 Pd10 Pb2"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271559999... | data_image0
_chemical_formula_structural As8Pd10Pb2As8Pd10Pb2As8Pd10Pb2As8Pd10Pb2As8Pd10Pb2As8Pd10Pb2As8Pd10Pb2As8Pd10Pb2
_chemical_formula_sum "As64 Pd80 Pb16"
_cell_length_a 78.89240844
_cell_length_b 13.632139579999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000... |
SuperCellAction | 1587a6ba-a6e9-4961-9925-716b1856b22a | mp-1035887 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 KMg14WO16KMg14WO16KMg14WO16KMg14WO16KMg14WO16KMg14WO16KMg14WO16KMg14WO16
_chemical_formula_sum "K8 Mg112 W8 O128"
_cell_length_a 4.394113
_cell_length_b 34.568988
_cell_length_c 17.575814
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 938cc43d-1e8c-4392-ac73-3ed4dedeaa32 | mp-510 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32Ta16O32Ta16O32Ta16O32Ta16O32Ta16O32
_chemical_formula_sum "Ta96 O192"
_cell_length_a 30.682803930000002
_cell_length_b 20.45520262
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle... |
SuperCellAction | 045ff39e-0b7b-437c-9edf-e224cda68542 | mp-754770 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12Li4Mn4F12Li4Mn4F12Li4Mn4F12
_chemical_formula_sum "Li16 Mn16 F48"
_cell_length_a 10.224994
_cell_length_b 15.212476
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | f43ff20b-eabe-4277-aede-a674e5ba1854 | mp-1201159 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Na4Mn2H8Se4O20
_chemical_formula_sum "Na4 Mn2 H8 Se4 O20"
_cell_length_a 5.7906892
_cell_length_b 6.02711618
_cell_length_c 13.704505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.82983314
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na4Mn2H8Se4O20Na4Mn2H8Se4O20Na4Mn2H8Se4O20Na4Mn2H8Se4O20Na4Mn2H8Se4O20Na4Mn2H8Se4O20
_chemical_formula_sum "Na24 Mn12 H48 Se24 O120"
_cell_length_a 11.5813784
_cell_length_b 6.02711618
_cell_length_c 41.113515
_cell_angle_alpha 90.0
_cell_... |
SuperCellAction | aeb09d13-b214-48b8-918e-b29f65ab2738 | mp-753610 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8
_chemical_formula_sum "Ba12 Ca12 I48"
_cell_length_a 34.37053851
_cell_length_b 22.91369234
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.... |
SuperCellAction | 352ff429-49c3-456e-a7b9-7d613f233964 | mp-753686 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4Li4V2Cr2P4O16F4
_chemical_formula_sum "Li32 V16 Cr16 P32 O128 F32"
_cell_length_a 21.48804264
_cell_length_b 10.2257436
_cell_length_c 14... |
SuperCellAction | c6603271-5b52-4738-8774-7d1bc4abc109 | mp-695175 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na24 Sr112 Nd24 Ti160 O480"
_cell_length_a 5.53353707
_cell_length_b 22.134148280000005
... |
SuperCellAction | 258c1e53-dfe6-4e1b-ae92-ddc37d5f61cb | mp-1442904 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2Cu2F10Ca2Cu2F10Ca2Cu2F10Ca2Cu2F10
_chemical_formula_sum "Ca8 Cu8 F40"
_cell_length_a 5.544288
_cell_length_b 22.22160792
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15... |
SuperCellAction | 60abfd70-200e-42c7-bf35-fcd2679a7461 | mp-1072993 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... | data_image0
_chemical_formula_structural Mg8Si12Mg8Si12Mg8Si12Mg8Si12
_chemical_formula_sum "Mg32 Si48"
_cell_length_a 5.42959707
_cell_length_b 10.859194140000001
_cell_length_c 37.07046886
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_ga... |
SuperCellAction | 5a7494f1-415d-4e27-84e9-acd332419d09 | mp-531661 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39
_chemical_formula_sum "Nd60 Ti72 O234"
_cell_length_a 21.819027
_cell_length_b 10.2912685
_cell_length_c 25.06129192
_cell_angle_alpha 113.59612546
_cell_angle_beta 106... |
SuperCellAction | c5866edf-c8ee-4440-b2e4-98715938328b | mp-1209763 | Create a supercell with the size 1 by 4 by 2. | 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 Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20Rb8Eu4F20
_chemical_formula_sum "Rb64 Eu32 F160"
_cell_length_a 7.019993
_cell_length_b 31.03116
_cell_length_c 23.436526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | 73eb6903-1531-4e9f-9035-15d2e48e7199 | mp-618177 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16
_chemical_formula_sum "K64 Zn32 Cl128"
_cell_length_a 14.3178462
_cell_length_b 17.75055822
_cell_length_c 25.1472361
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 1470d651-f230-47d7-be76-779036c21d25 | mp-1217947 | Create a supercell with the size 2 by 1 by 3. | 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 5.686728
_cell_length_c 47.555652
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 8944d335-8445-4ed8-8df2-4a6763f4920a | mp-1033433 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_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 SrMg6NbO8SrMg6NbO8SrMg6NbO8SrMg6NbO8SrMg6NbO8SrMg6NbO8SrMg6NbO8SrMg6NbO8
_chemical_formula_sum "Sr8 Mg48 Nb8 O64"
_cell_length_a 8.92237953
_cell_length_b 8.98204826
_cell_length_c 17.96409652
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | d888a5ba-1336-401b-bd5a-1f90f62228ee | mp-1193262 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Ce2Fe18Si8
_chemical_formula_sum "Ce2 Fe18 Si8"
_cell_length_a 7.791859
_cell_length_b 7.791859
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Ce2Fe18Si8Ce2Fe18Si8Ce2Fe18Si8
_chemical_formula_sum "Ce6 Fe54 Si24"
_cell_length_a 7.791859
_cell_length_b 23.375577
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma ... |
SuperCellAction | ac4b85a8-4e38-4e01-850b-5f53ff7614a2 | mp-1200661 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In36K4Na12In36K4Na12In36
_chemical_formula_sum "K12 Na36 In108"
_cell_length_a 9.90093006
_cell_length_b 29.702790179999997
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703... |
SuperCellAction | b46d0b9e-ab38-410a-94c5-854d377d86ed | mp-23702 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4Li4H8N4Li4H8N4Li4H8N4
_chemical_formula_sum "Li16 H32 N16"
_cell_length_a 9.87165038
_cell_length_b 4.93582403
_cell_length_c 12.35809012
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89... |
SuperCellAction | c1e870c9-dffb-4efb-abf3-b87dabf77874 | mp-1026931 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Te2Mo3WSe4S2
_chemical_formula_sum "Te2 Mo3 W1 Se4 S2"
_cell_length_a 3.34707973
_cell_length_b 3.34707973
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999471999999
_space_group_name... | data_image0
_chemical_formula_structural Te2Mo3WSe4S2Te2Mo3WSe4S2Te2Mo3WSe4S2Te2Mo3WSe4S2Te2Mo3WSe4S2Te2Mo3WSe4S2
_chemical_formula_sum "Te12 Mo18 W6 Se24 S12"
_cell_length_a 6.69415946
_cell_length_b 10.041239189999999
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | c2d48352-8416-4523-aa4d-ae0a4e8710d0 | mp-2230054 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10MgCu6O2F10
_chemical_formula_sum "Mg6 Cu36 O12 F60"
_cell_length_a 7.94494959
_cell_length_b 15.365356289999998
_cell_length_c 11.29035868
_cell_angle_alpha 95.16250544
_cell_angle_beta ... |
SuperCellAction | 6afdfe41-9181-454f-9559-3baf5f623475 | mp-850249 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... | data_image0
_chemical_formula_structural Fe8S10Fe8S10
_chemical_formula_sum "Fe16 S20"
_cell_length_a 15.70774606
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_spa... |
SuperCellAction | 5a4dd41d-45f6-4af0-b5b4-035187f20527 | mp-1223914 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ho4ZrAl15
_chemical_formula_sum "Ho4 Zr1 Al15"
_cell_length_a 4.207757
_cell_length_b 4.207757
_cell_length_c 21.101916
_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 Ho4ZrAl15Ho4ZrAl15
_chemical_formula_sum "Ho8 Zr2 Al30"
_cell_length_a 8.415514
_cell_length_b 4.207757
_cell_length_c 21.101916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | f5343e1d-3aba-4d80-8e7b-dd6ce05a849a | mp-2231066 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural K8MgTi2O8
_chemical_formula_sum "K8 Mg1 Ti2 O8"
_cell_length_a 8.18203921
_cell_length_b 8.18203921
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.62125926
_cell_angle_gamma 79.53757545999999
_space_g... | data_image0
_chemical_formula_structural K8MgTi2O8K8MgTi2O8K8MgTi2O8K8MgTi2O8K8MgTi2O8K8MgTi2O8
_chemical_formula_sum "K48 Mg6 Ti12 O48"
_cell_length_a 24.546117629999998
_cell_length_b 16.36407842
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.... |
SuperCellAction | 8fa788a9-717f-45ab-8694-31cb66374bf1 | mp-42981 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Na4Gd4Ti4Nb4O24F4
_chemical_formula_sum "Na4 Gd4 Ti4 Nb4 O24 F4"
_cell_length_a 7.355463
_cell_length_b 7.355463
_cell_length_c 10.410171
_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 Na4Gd4Ti4Nb4O24F4Na4Gd4Ti4Nb4O24F4Na4Gd4Ti4Nb4O24F4Na4Gd4Ti4Nb4O24F4Na4Gd4Ti4Nb4O24F4Na4Gd4Ti4Nb4O24F4Na4Gd4Ti4Nb4O24F4Na4Gd4Ti4Nb4O24F4
_chemical_formula_sum "Na32 Gd32 Ti32 Nb32 O192 F32"
_cell_length_a 14.710926
_cell_length_b 7.355463
_cell_len... |
SuperCellAction | f3110b11-d0ac-41af-a297-affe5e8154ec | mp-540876 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural K2Th4P6O24K2Th4P6O24K2Th4P6O24K2Th4P6O24
_chemical_formula_sum "K8 Th16 P24 O96"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 32.93532768000001
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell... |
SuperCellAction | 552086f6-af1b-4cf8-85a2-1963e3b0fe26 | mp-676305 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Mg8Sb4O18
_chemical_formula_sum "Mg8 Sb4 O18"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 11.707019670000001
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
_space_gro... | data_image0
_chemical_formula_structural Mg8Sb4O18Mg8Sb4O18
_chemical_formula_sum "Mg16 Sb8 O36"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 23.414039340000002
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
... |
SuperCellAction | 43174fc9-b9f9-4ddf-8432-d191afdf9177 | mp-695020 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Na8Ga6Si6N2O28
_chemical_formula_sum "Na8 Ga6 Si6 N2 O28"
_cell_length_a 9.22651473
_cell_length_b 9.263441159999998
_cell_length_c 9.40644479
_cell_angle_alpha 89.69481915
_cell_angle_beta 90.06347053
_cell_angle_gamma 89.40421226
... | data_image0
_chemical_formula_structural Na8Ga6Si6N2O28Na8Ga6Si6N2O28Na8Ga6Si6N2O28Na8Ga6Si6N2O28Na8Ga6Si6N2O28Na8Ga6Si6N2O28Na8Ga6Si6N2O28Na8Ga6Si6N2O28
_chemical_formula_sum "Na64 Ga48 Si48 N16 O224"
_cell_length_a 18.45302946
_cell_length_b 37.05376463999999
_cell_length_c 9.4064... |
SuperCellAction | 2c962952-6d2e-47c6-8fb0-9c3abc46e00b | mp-2215902 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCu2Rh4O8MgCu2Rh4O8MgCu2Rh4O8MgCu2Rh4O8MgCu2Rh4O8MgCu2Rh4O8MgCu2Rh4O8MgCu2Rh4O8
_chemical_formula_sum "Mg8 Cu16 Rh32 O64"
_cell_length_a 12.74381082
_cell_length_b 12.743709720000002
_cell_length_c 12.05834154
_cell_angle_alpha 90.0579530... |
SuperCellAction | 49ea86c6-239a-4e33-988a-4ce9be76d973 | mp-760927 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 Na4Ti4P4O20Na4Ti4P4O20Na4Ti4P4O20Na4Ti4P4O20Na4Ti4P4O20Na4Ti4P4O20Na4Ti4P4O20Na4Ti4P4O20
_chemical_formula_sum "Na32 Ti32 P32 O160"
_cell_length_a 26.191136
_cell_length_b 7.496283
_cell_length_c 15.634022
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 9f3e40ec-78b3-4abc-89ce-c539b6ec077c | mp-563048 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural KFe3H6S2O14
_chemical_formula_sum "K1 Fe3 H6 S2 O14"
_cell_length_a 8.5991059
_cell_length_b 8.59910613
_cell_length_c 8.59910581
_cell_angle_alpha 66.12383906
_cell_angle_beta 66.12383544
_cell_angle_gamma 66.1238335
_space_group_... | data_image0
_chemical_formula_structural KFe3H6S2O14KFe3H6S2O14KFe3H6S2O14KFe3H6S2O14KFe3H6S2O14KFe3H6S2O14KFe3H6S2O14KFe3H6S2O14
_chemical_formula_sum "K8 Fe24 H48 S16 O112"
_cell_length_a 8.5991059
_cell_length_b 17.19821226
_cell_length_c 34.39642324
_cell_angle_alpha 66.12383... |
SuperCellAction | db6a81fe-ef47-46d8-8012-f85a800a437b | mp-1208067 | Create a supercell with the size 2 by 2 by 2. | 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 Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4Tm16Cd4Pd4
_chemical_formula_sum "Tm128 Cd32 Pd32"
_cell_length_a 18.99762364
_cell_length_b 18.99737784
_cell_length_c 18.99751492
_cell_angle_alpha 59.99933265
_cell_a... |
SuperCellAction | a1482e5d-15f5-4ff7-811b-ec37a3a8d931 | mp-1020707 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Rb8Ge4B16O36
_chemical_formula_sum "Rb8 Ge4 B16 O36"
_cell_length_a 10.066798
_cell_length_b 6.729355
_cell_length_c 13.46842072
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb8Ge4B16O36Rb8Ge4B16O36Rb8Ge4B16O36Rb8Ge4B16O36
_chemical_formula_sum "Rb32 Ge16 B64 O144"
_cell_length_a 10.066798
_cell_length_b 13.45871
_cell_length_c 26.93684144
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 9d63698d-151c-4657-93c9-c18af0f78a2b | mp-771389 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32
_chemical_formula_sum "Li48 V72 Bi24 O192"
_cell_length_a 8.71215
_cell_length_b 17.5975577
_cell_length_c 26.41007877
_cell_angle_alpha 89.98981681000001
_cell_angle... |
SuperCellAction | feeb4f47-3a8f-4add-8cd0-6e5e917ebc06 | mp-1245147 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Cr16Fe16O48Cr16Fe16O48
_chemical_formula_sum "Cr48 Fe48 O144"
_cell_length_a 10.0212608
_cell_length_b 32.80970481
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle... |
SuperCellAction | 5e6f6bd0-f0db-4eda-8514-908a77f4532b | mp-1219581 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Rb2Mg2Al2F12
_chemical_formula_sum "Rb2 Mg2 Al2 F12"
_cell_length_a 7.15675315
_cell_length_b 7.156753149999999
_cell_length_c 7.15675315
_cell_angle_alpha 120.42557155
_cell_angle_beta 119.40563128000001
_cell_angle_gamma 90.148508... | data_image0
_chemical_formula_structural Rb2Mg2Al2F12Rb2Mg2Al2F12Rb2Mg2Al2F12Rb2Mg2Al2F12Rb2Mg2Al2F12Rb2Mg2Al2F12
_chemical_formula_sum "Rb12 Mg12 Al12 F72"
_cell_length_a 21.47025945
_cell_length_b 7.156753149999999
_cell_length_c 14.3135063
_cell_angle_alpha 120.42557155
_cell_... |
SuperCellAction | 88419462-897a-4081-9965-ed64ce557210 | mp-776732 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Li2Fe3F8
_chemical_formula_sum "Li2 Fe3 F8"
_cell_length_a 6.2334377
_cell_length_b 6.2334377
_cell_length_c 6.233437549999999
_cell_angle_alpha 59.31060473
_cell_angle_beta 59.310604729999994
_cell_angle_gamma 59.310609109999994
_... | data_image0
_chemical_formula_structural Li2Fe3F8Li2Fe3F8Li2Fe3F8Li2Fe3F8Li2Fe3F8Li2Fe3F8
_chemical_formula_sum "Li12 Fe18 F48"
_cell_length_a 6.2334377
_cell_length_b 12.4668754
_cell_length_c 18.700312649999997
_cell_angle_alpha 59.310604729999994
_cell_angle_beta 59.310604... |
SuperCellAction | 0a928fd8-ca69-49e1-8929-bcb205fc576b | mp-779526 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6Fe10O14F6Fe10O14F6Fe10O14F6Fe10O14F6Fe10O14F6
_chemical_formula_sum "Fe60 O84 F36"
_cell_length_a 13.98752523
_cell_length_b 9.325016819999998
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89... |
SuperCellAction | 1d275e19-b76a-4209-ac8c-bcd6db5c832c | mp-776832 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Mn7SbP12O48
_chemical_formula_sum "Mn7 Sb1 P12 O48"
_cell_length_a 8.4872352
_cell_length_b 8.47984749
_cell_length_c 11.82462584
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cell_angle_gamma 90.01172787
_space... | data_image0
_chemical_formula_structural Mn7SbP12O48Mn7SbP12O48Mn7SbP12O48Mn7SbP12O48
_chemical_formula_sum "Mn28 Sb4 P48 O192"
_cell_length_a 8.4872352
_cell_length_b 16.95969498
_cell_length_c 23.64925168
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cel... |
SuperCellAction | 688ec8c3-3a8a-49a0-9caa-5223ac50078c | mp-542493 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20Sc10Co8Si20
_chemical_formula_sum "Sc60 Co48 Si120"
_cell_length_a 11.95411681
_cell_length_b 23.90827224
_cell_length_c 11.756169599999998
_cell_angle_alpha 90.00000677
_cell_angle_be... |
SuperCellAction | 192fcf64-cde5-4ba6-9ebe-14a2366bd1a4 | mp-1811207 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ca2Ti4S8
_chemical_formula_sum "Ca2 Ti4 S8"
_cell_length_a 7.57230625
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma 89.19031634999999
_space... | data_image0
_chemical_formula_structural Ca2Ti4S8Ca2Ti4S8Ca2Ti4S8Ca2Ti4S8
_chemical_formula_sum "Ca8 Ti16 S32"
_cell_length_a 30.289225
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma ... |
SuperCellAction | 07c2a4fd-ea39-4037-9d90-7a500547932a | mp-1045681 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg32 Sb32 As64 Se32 O224"
_cell_length_a 21.27932508
_cell_length_b 13.52879227
_cell_length_c 27.04943634
_cell_angle_alpha 81.13835569
_cell_angle_be... |
SuperCellAction | a98b4fd0-25e9-4048-a28f-af48c5edc844 | mp-2321 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb6Ge10Tb6Ge10Tb6Ge10Tb6Ge10
_chemical_formula_sum "Tb24 Ge40"
_cell_length_a 11.5292034
_cell_length_b 14.92421796
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
... |
SuperCellAction | 6999e7d7-0c30-4d81-9e9b-44bb40138ee0 | mp-1105652 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural YbCo4P12
_chemical_formula_sum "Yb1 Co4 P12"
_cell_length_a 6.71855447
_cell_length_b 6.718554469999999
_cell_length_c 6.71855447
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural YbCo4P12YbCo4P12YbCo4P12YbCo4P12YbCo4P12YbCo4P12YbCo4P12YbCo4P12
_chemical_formula_sum "Yb8 Co32 P96"
_cell_length_a 13.43710894
_cell_length_b 13.437108939999998
_cell_length_c 13.43710894
_cell_angle_alpha 109.47122063
_cell_angle_beta ... |
SuperCellAction | f3b15cb6-5ed3-4bc1-a866-5e7ed0c6af06 | mp-570598 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Sr2Si14N20
_chemical_formula_sum "Sr2 Si14 N20"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 9.60918669
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr2Si14N20Sr2Si14N20
_chemical_formula_sum "Sr4 Si28 N40"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 19.21837338
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | c55c3994-29da-433a-8b64-63bd72de4d80 | mp-1238897 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16Ti4Cr4Ag4S16Ti4Cr4Ag4S16
_chemical_formula_sum "Ti12 Cr12 Ag12 S48"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 38.55406407
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma ... |
SuperCellAction | 7494b6b8-0d01-453b-beac-01b84e37ede1 | mp-541694 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural K8Na12Si4P12
_chemical_formula_sum "K8 Na12 Si4 P12"
_cell_length_a 4.800822
_cell_length_b 13.222475
_cell_length_c 14.663715
_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 K8Na12Si4P12K8Na12Si4P12K8Na12Si4P12K8Na12Si4P12K8Na12Si4P12K8Na12Si4P12K8Na12Si4P12K8Na12Si4P12
_chemical_formula_sum "K64 Na96 Si32 P96"
_cell_length_a 19.203288
_cell_length_b 26.44495
_cell_length_c 14.663715
_cell_angle_alpha 90.0
_ce... |
SuperCellAction | a4babc68-bb9d-48fa-8452-7aa1bdb394df | mp-2229552 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural MgTi4Zn2O10
_chemical_formula_sum "Mg1 Ti4 Zn2 O10"
_cell_length_a 3.941108
_cell_length_b 5.45161165
_cell_length_c 11.020717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.19230556
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgTi4Zn2O10MgTi4Zn2O10MgTi4Zn2O10MgTi4Zn2O10MgTi4Zn2O10MgTi4Zn2O10
_chemical_formula_sum "Mg6 Ti24 Zn12 O60"
_cell_length_a 11.823324
_cell_length_b 5.45161165
_cell_length_c 22.041434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | d1edffb0-ff13-461f-924b-04e687cf6d71 | mp-755668 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Li8Ti4Mn4O16
_chemical_formula_sum "Li8 Ti4 Mn4 O16"
_cell_length_a 5.99744383
_cell_length_b 6.03957809
_cell_length_c 8.730582660000001
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.99975295
_cell_angle_gamma 90.09988504
_spa... | data_image0
_chemical_formula_structural Li8Ti4Mn4O16Li8Ti4Mn4O16Li8Ti4Mn4O16Li8Ti4Mn4O16
_chemical_formula_sum "Li32 Ti16 Mn16 O64"
_cell_length_a 11.99488766
_cell_length_b 6.03957809
_cell_length_c 17.461165320000003
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.999752... |
SuperCellAction | ee1215b0-2b8a-4861-831e-2865701adb86 | mp-1233972 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural K2MgFe4P6O16F12K2MgFe4P6O16F12K2MgFe4P6O16F12K2MgFe4P6O16F12
_chemical_formula_sum "K8 Mg4 Fe16 P24 O64 F48"
_cell_length_a 14.86016578
_cell_length_b 15.95533112
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta ... |
SuperCellAction | 90a1d87c-788d-437b-86c0-591626565bf7 | mp-1213157 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8CsScW2O8
_chemical_formula_sum "Cs2 Sc2 W4 O16"
_cell_length_a 11.8545088
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_... |
SuperCellAction | 28c713b9-fe25-40fc-99e3-f4f18519c776 | mp-771567 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural LiTi3MnCrP6O24
_chemical_formula_sum "Li1 Ti3 Mn1 Cr1 P6 O24"
_cell_length_a 8.62920587
_cell_length_b 8.62920587
_cell_length_c 8.62920614
_cell_angle_alpha 59.92284299999999
_cell_angle_beta 59.92284299999999
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural LiTi3MnCrP6O24LiTi3MnCrP6O24LiTi3MnCrP6O24LiTi3MnCrP6O24LiTi3MnCrP6O24LiTi3MnCrP6O24LiTi3MnCrP6O24LiTi3MnCrP6O24
_chemical_formula_sum "Li8 Ti24 Mn8 Cr8 P48 O192"
_cell_length_a 8.62920587
_cell_length_b 34.51682348
_cell_length_c 17.25841228... |
SuperCellAction | 49419a98-8a47-42e3-9b02-1e73c6e2cfae | mp-1017129 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg12Bi2Sb2Mg12Bi2Sb2
_chemical_formula_sum "Mg24 Bi4 Sb4"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 22.739572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SuperCellAction | 9aea8690-e10f-4e24-8aec-61a7268cf6e2 | mp-551214 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2Cr2S4O2Ce2Cr2S4O2Ce2Cr2S4O2Ce2Cr2S4O2
_chemical_formula_sum "Ce8 Cr8 S16 O8"
_cell_length_a 11.91836658
_cell_length_b 5.95918329
_cell_length_c 16.053773
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_... |
SuperCellAction | d060c2cf-fab5-4d4b-93cd-993d057d1062 | mp-765641 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32Li8Fe8P8O32
_chemical_formula_sum "Li32 Fe32 P32 O128"
_cell_length_a 4.935367
_cell_length_b 15.40447
_cell_length_c 36.9588946
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 5aac631a-7466-4f49-b986-2046319d67fb | mp-1045890 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Zn2Co9O13
_chemical_formula_sum "Zn2 Co9 O13"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 16.773860490000004
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.881875320000006
_sp... | data_image0
_chemical_formula_structural Zn2Co9O13Zn2Co9O13Zn2Co9O13
_chemical_formula_sum "Zn6 Co27 O39"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 50.321581470000005
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.8... |
SuperCellAction | c9fa35b9-3fcd-4a5b-9571-7cf9d26d12f4 | mp-866871 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Ca8Sn2S12
_chemical_formula_sum "Ca8 Sn2 S12"
_cell_length_a 7.95022386
_cell_length_b 7.95022386
_cell_length_c 7.95022379
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_cell_angle_gamma 90.7304229
_space_group_name_H... | data_image0
_chemical_formula_structural Ca8Sn2S12Ca8Sn2S12Ca8Sn2S12Ca8Sn2S12Ca8Sn2S12Ca8Sn2S12
_chemical_formula_sum "Ca48 Sn12 S72"
_cell_length_a 15.90044772
_cell_length_b 7.95022386
_cell_length_c 23.85067137
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_ce... |
SuperCellAction | 5e143660-2112-480b-becf-432d93620bc7 | mp-754722 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Li4Ti3MnO8
_chemical_formula_sum "Li4 Ti3 Mn1 O8"
_cell_length_a 10.46644375
_cell_length_b 10.46641435
_cell_length_c 14.82520226
_cell_angle_alpha 19.268148019999995
_cell_angle_beta 19.267467279999984
_cell_angle_gamma 33.2065633... | data_image0
_chemical_formula_structural Li4Ti3MnO8Li4Ti3MnO8Li4Ti3MnO8Li4Ti3MnO8Li4Ti3MnO8Li4Ti3MnO8Li4Ti3MnO8Li4Ti3MnO8
_chemical_formula_sum "Li32 Ti24 Mn8 O64"
_cell_length_a 41.865775
_cell_length_b 10.46641435
_cell_length_c 29.65040452
_cell_angle_alpha 19.268148019999995
... |
SuperCellAction | 067c5300-f394-4c34-a036-81d82f34dffd | mp-1520316 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural KGdNb4O12
_chemical_formula_sum "K1 Gd1 Nb4 O12"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 7.97247476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KGdNb4O12KGdNb4O12KGdNb4O12
_chemical_formula_sum "K3 Gd3 Nb12 O36"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 23.91742428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_gr... |
SuperCellAction | e785323d-968c-4ea7-9860-d5b13b242181 | mp-1042875 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As8O28Mn4As8O28Mn4As8O28Mn4As8O28
_chemical_formula_sum "Mn16 As32 O112"
_cell_length_a 18.62637
_cell_length_b 13.884752
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | 2c987677-1514-4288-8d95-d5734ddba8b7 | mp-1102196 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Er4Ga4Ir4
_chemical_formula_sum "Er4 Ga4 Ir4"
_cell_length_a 4.26142818
_cell_length_b 6.73400898
_cell_length_c 7.72532401
_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 Er4Ga4Ir4Er4Ga4Ir4Er4Ga4Ir4Er4Ga4Ir4Er4Ga4Ir4Er4Ga4Ir4
_chemical_formula_sum "Er24 Ga24 Ir24"
_cell_length_a 8.52285636
_cell_length_b 20.20202694
_cell_length_c 7.72532401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 0867200f-d366-44c1-b8bb-9653ac522ee4 | mp-1207656 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28Y4Pt4F28Y4Pt4F28Y4Pt4F28Y4Pt4F28Y4Pt4F28Y4Pt4F28Y4Pt4F28
_chemical_formula_sum "Y32 Pt32 F224"
_cell_length_a 5.41969803
_cell_length_b 17.56385178
_cell_length_c 47.52019464
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
... |
SuperCellAction | 76b6534e-c7a1-43b4-8b71-916eb4b7f9f1 | mp-28748 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Y6Ir2I6
_chemical_formula_sum "Y6 Ir2 I6"
_cell_length_a 4.2875557
_cell_length_b 8.80719215
_cell_length_c 12.26134567
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y6Ir2I6Y6Ir2I6Y6Ir2I6Y6Ir2I6Y6Ir2I6Y6Ir2I6Y6Ir2I6Y6Ir2I6
_chemical_formula_sum "Y48 Ir16 I48"
_cell_length_a 4.2875557
_cell_length_b 35.2287686
_cell_length_c 24.52269134
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | ea3def7d-c368-43c9-b420-e7888f27499e | mp-1226677 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural CeHo4S7
_chemical_formula_sum "Ce1 Ho4 S7"
_cell_length_a 6.79201866
_cell_length_b 6.792018659999999
_cell_length_c 11.609863210000002
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_angle_gamma 32.62256165
_space... | data_image0
_chemical_formula_structural CeHo4S7CeHo4S7CeHo4S7CeHo4S7CeHo4S7CeHo4S7
_chemical_formula_sum "Ce6 Ho24 S42"
_cell_length_a 13.58403732
_cell_length_b 6.792018659999999
_cell_length_c 34.82958963
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_ang... |
SuperCellAction | 97993332-b5be-43dd-b1ba-33a4de1556a4 | mp-768873 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y8Ge4O20Y8Ge4O20
_chemical_formula_sum "Y16 Ge8 O40"
_cell_length_a 13.8454785
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | ea77a9d0-2b7d-4c46-b4eb-53e8b0a8cd6b | mp-1205559 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Yb2In2Br6Yb2In2Br6Yb2In2Br6Yb2In2Br6
_chemical_formula_sum "Yb8 In8 Br24"
_cell_length_a 34.4333274
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_s... |
SuperCellAction | fd5d45ea-3d48-4384-ad73-d83945afac9f | mp-1201107 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16Zn2B20H52O16
_chemical_formula_sum "Zn16 B160 H416 O128"
_cell_length_a 13.817458
_cell_length_b 14.87898956
_cell_length_c 36.95774068
_cell_angle_alpha 8... |
SuperCellAction | 8caca604-c94b-4b4b-9e39-cdc1649b3b90 | mp-1228192 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al8Si4Mo6Al8Si4Mo6Al8Si4Mo6Al8Si4Mo6
_chemical_formula_sum "Al32 Si16 Mo24"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 53.83789668
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gam... |
SuperCellAction | 5b4da53d-57af-4a2d-af26-3bef620a3bc6 | mp-770527 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18Li4Mn8O18Li4Mn8O18Li4Mn8O18Li4Mn8O18Li4Mn8O18
_chemical_formula_sum "Li24 Mn48 O108"
_cell_length_a 9.87802698
_cell_length_b 4.93901349
_cell_length_c 40.760780999999994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | ec213441-87d1-477e-ad56-5875c748a8a9 | mp-1080028 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6
_chemical_formula_sum "Sr8 Zr4 Ti4 O24"
_cell_length_a 11.49871942
_cell_length_b 5.74935971
_cell_length_c 11.49871942
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell... |
SuperCellAction | 82203226-c19a-4bbb-bd2f-09a306f07854 | mp-1048821 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Al4Fe12O24
_chemical_formula_sum "Al4 Fe12 O24"
_cell_length_a 5.95108543
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Al4Fe12O24Al4Fe12O24Al4Fe12O24
_chemical_formula_sum "Al12 Fe36 O72"
_cell_length_a 17.85325629
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_s... |
SuperCellAction | 56c9cfb9-a550-441f-94bf-390a935002cc | mp-559790 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10K4Nb6Cl14O10
_chemical_formula_sum "K32 Nb48 Cl112 O80"
_cell_length_a 38.6267386
_cell_length_b 19.3133693
_cell_length_c 11.31733892
_cell_angle_alpha 69... |
SuperCellAction | 397ff688-3752-4b36-8e04-b55e1af1bed2 | mp-680113 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd11I22Cd11I22Cd11I22Cd11I22Cd11I22Cd11I22
_chemical_formula_sum "Cd66 I132"
_cell_length_a 13.03166565
_cell_length_b 4.34388855
_cell_length_c 162.074868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000008449... |
SuperCellAction | ca46e755-4d68-48ad-ae7e-c1d3eb6c8f54 | mp-759788 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li4V2O6F2
_chemical_formula_sum "Li4 V2 O6 F2"
_cell_length_a 5.050479
_cell_length_b 5.21350892
_cell_length_c 5.795580870000001
_cell_angle_alpha 91.05051643
_cell_angle_beta 91.29622969
_cell_angle_gamma 111.69033657
_space_grou... | data_image0
_chemical_formula_structural Li4V2O6F2Li4V2O6F2Li4V2O6F2Li4V2O6F2Li4V2O6F2Li4V2O6F2Li4V2O6F2Li4V2O6F2
_chemical_formula_sum "Li32 V16 O48 F16"
_cell_length_a 10.100958
_cell_length_b 10.42701784
_cell_length_c 11.591161740000002
_cell_angle_alpha 91.05051643
_cell_ang... |
SuperCellAction | 7258771a-fb49-4bda-b19c-ae4bf2a183c1 | mp-1218107 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr8 Pr8 Co8 Ru8 O48"
_cell_length_a 5.662629
_cell_length_b 22.449584
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_ce... |
SuperCellAction | b84e14a5-c1f2-48fe-a528-7f96526045e2 | mp-1202046 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16
_chemical_formula_sum "Sr48 P24 I24 O96"
_cell_length_a 9.019828
_cell_length_b 25.622861999999998
_cell_length_c 18.44992284
_cell_angle_alpha 67.48799209
_cell_angle_beta 9... |
SuperCellAction | 6df6d4ac-0848-465b-a68a-36b6f5122194 | mp-770417 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24
_chemical_formula_sum "Li32 Mn16 V8 Ni24 P48 O192"
_cell_length_a 33.89819268
_cell_length_b 8.82226272
_cell_length_c 17... |
SuperCellAction | 386aa9c4-efd4-46e1-a81b-c83429d72f46 | mp-19420 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Sr2MgWO6
_chemical_formula_sum "Sr2 Mg1 W1 O6"
_cell_length_a 5.60954906
_cell_length_b 5.60954906
_cell_length_c 5.60954906
_cell_angle_alpha 120.38451769000001
_cell_angle_beta 120.38451769000004
_cell_angle_gamma 89.3352761699999... | data_image0
_chemical_formula_structural Sr2MgWO6Sr2MgWO6Sr2MgWO6Sr2MgWO6Sr2MgWO6Sr2MgWO6Sr2MgWO6Sr2MgWO6
_chemical_formula_sum "Sr16 Mg8 W8 O48"
_cell_length_a 11.21909812
_cell_length_b 11.21909812
_cell_length_c 11.21909812
_cell_angle_alpha 120.38451769000001
_cell_angle_beta... |
SuperCellAction | b7805224-ff9b-4ba4-8613-e48418c7c517 | mp-570466 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li8Ca4Li8Ca4Li8Ca4
_chemical_formula_sum "Li24 Ca12"
_cell_length_a 18.57981264
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_g... |
SuperCellAction | ba363795-424e-49b8-afc6-583fc264529c | mp-1221954 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6MgTi2ZnO6MgTi2ZnO6MgTi2ZnO6
_chemical_formula_sum "Mg4 Ti8 Zn4 O24"
_cell_length_a 5.53855859
_cell_length_b 22.15423436
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
... |
SuperCellAction | 3b3c3ec6-d2d3-48bb-ac20-894f315f79d0 | mp-1229180 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16
_chemical_formula_sum "Ag32 Sb20 As12 S64"
_cell_length_a 5.973633
_cell_length_b 35.24786796
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_an... |
SuperCellAction | 0086004f-41f1-4f1e-8fba-2ef3f8fc78c9 | mp-1232387 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 Y8Mg4S16Y8Mg4S16Y8Mg4S16Y8Mg4S16Y8Mg4S16Y8Mg4S16Y8Mg4S16Y8Mg4S16
_chemical_formula_sum "Y64 Mg32 S128"
_cell_length_a 15.925158
_cell_length_b 29.195212
_cell_length_c 11.468396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 7a42c970-8499-45d1-a54e-ab2d2ae254f4 | mp-1216954 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6Tm6Sc6Ge6
_chemical_formula_sum "Tm24 Sc24 Ge24"
_cell_length_a 6.11750201
_cell_length_b 17.35452124
_cell_length_c 18.19101066
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_g... |
SuperCellAction | 16afc927-ed42-421b-8485-670712480069 | mp-2426125 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg18Sn10Mg18Sn10Mg18Sn10
_chemical_formula_sum "Mg54 Sn30"
_cell_length_a 8.88839894
_cell_length_b 26.665196820000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.8... |
SuperCellAction | 8eb87505-9d01-4ea8-894a-29b0e77bf948 | mp-1174883 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li64 Mn16 Co32 O112"
_cell_length_a 10.18380072
_cell_length_b 10.18380072
_cell_length_c 36.05448061999999
_cell_angle_al... |
SuperCellAction | dd761d93-6eb2-4ad4-b637-ecd7113ab756 | mp-1106406 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_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 Ce4Sn2S10Ce4Sn2S10Ce4Sn2S10Ce4Sn2S10Ce4Sn2S10Ce4Sn2S10
_chemical_formula_sum "Ce24 Sn12 S60"
_cell_length_a 3.93351799
_cell_length_b 15.75457894
_cell_length_c 34.4161668
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | c8a2646b-1e89-45d5-b320-c9380027618a | mp-541006 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Ba4Tl4V4O16
_chemical_formula_sum "Ba4 Tl4 V4 O16"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_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 Ba4Tl4V4O16Ba4Tl4V4O16Ba4Tl4V4O16Ba4Tl4V4O16Ba4Tl4V4O16Ba4Tl4V4O16Ba4Tl4V4O16Ba4Tl4V4O16
_chemical_formula_sum "Ba32 Tl32 V32 O128"
_cell_length_a 12.027574
_cell_length_b 16.044468
_cell_length_c 21.262818
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | 8e488147-a7d5-4852-8700-b1dc63297d11 | mp-1211876 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural K4Hf24C4Cl60
_chemical_formula_sum "K4 Hf24 C4 Cl60"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_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 K4Hf24C4Cl60K4Hf24C4Cl60K4Hf24C4Cl60K4Hf24C4Cl60K4Hf24C4Cl60K4Hf24C4Cl60K4Hf24C4Cl60K4Hf24C4Cl60
_chemical_formula_sum "K32 Hf192 C32 Cl480"
_cell_length_a 38.959644
_cell_length_b 13.94139
_cell_length_c 37.154676
_cell_angle_alpha 90.0
_... |
SuperCellAction | f7643282-85ba-4d86-9e8d-8b34191259f2 | mp-2232781 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2
_chemical_formula_sum "Mg8 Ti32 Pb16 O72 F16"
_cell_length_a 3.75899027
_cell_length_b 34.444521439999995
_cell_length_c 15.97777402
_cell_angle_... |
SuperCellAction | bff45a07-82e9-4d03-b7ed-f3e0eb27ea1d | mp-1211275 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural KMg3Si4O12
_chemical_formula_sum "K1 Mg3 Si4 O12"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_group... | data_image0
_chemical_formula_structural KMg3Si4O12KMg3Si4O12KMg3Si4O12KMg3Si4O12KMg3Si4O12KMg3Si4O12KMg3Si4O12KMg3Si4O12
_chemical_formula_sum "K8 Mg24 Si32 O96"
_cell_length_a 5.31933259
_cell_length_b 21.27733036
_cell_length_c 20.74488588
_cell_angle_alpha 85.73575754
_cell_a... |
SuperCellAction | 59be57a9-b549-4371-953d-d43f677bf494 | mp-568136 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18Rb6V6Br18Rb6V6Br18Rb6V6Br18
_chemical_formula_sum "Rb24 V24 Br72"
_cell_length_a 12.89200448
_cell_length_b 51.567816719999996
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_an... |
SuperCellAction | 964a7098-8983-47ea-a29a-acc4afb24428 | mp-765621 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 V4F20V4F20
_chemical_formula_sum "V8 F40"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 9.75745544
_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 | b4e2ad46-1bc7-4816-8ab0-206bb3ff5bb1 | mp-1104730 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Sm2Ni8Sn4
_chemical_formula_sum "Sm2 Ni8 Sn4"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_space_... | data_image0
_chemical_formula_structural Sm2Ni8Sn4Sm2Ni8Sn4Sm2Ni8Sn4Sm2Ni8Sn4Sm2Ni8Sn4Sm2Ni8Sn4Sm2Ni8Sn4Sm2Ni8Sn4
_chemical_formula_sum "Sm16 Ni64 Sn32"
_cell_length_a 6.71814651
_cell_length_b 13.43629302
_cell_length_c 26.872586039999998
_cell_angle_alpha 107.69357689
_cell_ang... |
SuperCellAction | daa65180-b551-4b9d-a346-de2e5820a2a9 | mp-723254 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48Na11Zr8Si7P5O48Na11Zr8Si7P5O48
_chemical_formula_sum "Na33 Zr24 Si21 P15 O144"
_cell_length_a 9.14653
_cell_length_b 27.481413059999998
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta ... |
SuperCellAction | 6df918ed-7fff-4dbc-bd30-c53cf93965c3 | mp-1103810 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6Y6Al2C6
_chemical_formula_sum "Y48 Al16 C48"
_cell_length_a 14.31143248
_cell_length_b 14.10804082
_cell_length_c 9.96492032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 111a51aa-a267-413f-baf7-ed4626769454 | mp-1078810 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4
_chemical_formula_sum "Sc24 Sn12 Au24"
_cell_length_a 22.75997001
_cell_length_b 15.17331334
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
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