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 | ac660be8-18ab-4a71-a668-f0e3af933278 | mp-757411 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28Li8Co4P8O28Li8Co4P8O28
_chemical_formula_sum "Li24 Co12 P24 O84"
_cell_length_a 15.224494199999999
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_g... |
SuperCellAction | e387bfa5-6538-4a31-b922-291f96b89dcc | mp-2227274 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4MgW2Br4O4MgW2Br4O4MgW2Br4O4
_chemical_formula_sum "Mg4 W8 Br16 O16"
_cell_length_a 7.80422958
_cell_length_b 7.882914479999999
_cell_length_c 18.400663300000005
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
... |
SuperCellAction | 655d49fb-f82c-4479-bed4-26c7c1a0b513 | mp-558525 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52V16Fe8O52V16Fe8O52V16Fe8O52V16Fe8O52V16Fe8O52
_chemical_formula_sum "V96 Fe48 O312"
_cell_length_a 18.83838918
_cell_length_b 24.900604530000003
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta ... |
SuperCellAction | 9b836998-b762-4c93-8d1f-3096e6c970df | mp-2503 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8Pd14Se8Pd14Se8Pd14Se8Pd14Se8Pd14Se8
_chemical_formula_sum "Pd84 Se48"
_cell_length_a 10.61739518
_cell_length_b 21.11212518
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma ... |
SuperCellAction | 5acc122d-59c7-425a-88a4-b976ec9fcd59 | mp-1213264 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_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 Cs2Nd2Te8Cs2Nd2Te8Cs2Nd2Te8Cs2Nd2Te8Cs2Nd2Te8Cs2Nd2Te8
_chemical_formula_sum "Cs12 Nd12 Te48"
_cell_length_a 24.29429397
_cell_length_b 16.19619598
_cell_length_c 12.352567
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | fed40d82-5de5-4add-b439-487aef72399c | mp-771174 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20
_chemical_formula_sum "Ba48 B48 O120"
_cell_length_a 8.76527094
_cell_length_b 31.100578050000003
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 675ecefd-b4b4-4a6c-bb47-4d74abfd0525 | mp-1175691 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li54 Mn12 Co30 O96"
_cell_length_a 5.076635
_cell_length_b 10.28746306
_cell_length_c 33.58848348
_cell_angle_alpha 81.30837490999998
_cell_ang... |
SuperCellAction | b24d0e6e-099e-479b-a19f-e3a7db98f002 | mp-1029037 | Create a supercell with the size 2X2X2. | 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 6.43976914
_cell_length_c 72.813608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 99b830dd-f93b-40a3-91aa-7403df37e991 | mp-2215121 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8Co4NiO8
_chemical_formula_sum "Co8 Ni2 O16"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 11.61672382
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83... |
SuperCellAction | 46750df5-760c-4edd-bc2f-05afda122817 | mp-704542 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40
_chemical_formula_sum "Ge32 W64 C320 Br64 O320"
_cell_length_a 53.276516
_cell_length_b 9.666631
_cell_length_c 30.86207308
_cell... |
SuperCellAction | ff922adf-05a9-42ac-924c-ab5da25e0ebd | mp-1208448 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12AgTb4Ga12AgTb4Ga12Ag
_chemical_formula_sum "Tb12 Ga36 Ag3"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 22.43742363
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 10... |
SuperCellAction | 714affce-70de-4ce2-b901-215bd4910048 | mp-1567262 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12
_chemical_formula_sum "Li32 Mn32 Sb16 O96"
_cell_length_a 5.35664327
_cell_length_b 41.171849
_cell_length_c 10.71308638
_cell_angle_alpha 90.... |
SuperCellAction | 1dd7f166-9480-4dc0-921f-1847132c8018 | mp-1176984 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48
_chemical_formula_sum "Li48 Mn8 V24 P48 O192"
_cell_length_a 16.992946
_cell_length_b 17.26628202
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 10... |
SuperCellAction | 054ab5c6-3144-4085-a035-af57db591a82 | mp-1209476 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_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 Rb8Fe8S12O48Rb8Fe8S12O48Rb8Fe8S12O48Rb8Fe8S12O48Rb8Fe8S12O48Rb8Fe8S12O48
_chemical_formula_sum "Rb48 Fe48 S72 O288"
_cell_length_a 10.261897
_cell_length_b 20.523794
_cell_length_c 30.785691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 803ea41f-fe02-4799-b0f7-1697cb7b3ed2 | mp-1196193 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2FeSn4H24C8Se10N2FeSn4H24C8Se10N2FeSn4H24C8Se10N2
_chemical_formula_sum "Fe4 Sn16 H96 C32 Se40 N8"
_cell_length_a 22.03229094
_cell_length_b 22.03229094
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_b... |
SuperCellAction | c132973b-cdf6-44f1-b0a7-fb7f83eabb99 | mp-1036452 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg14AlBiO16Mg14AlBiO16
_chemical_formula_sum "Mg28 Al2 Bi2 O32"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 8.757694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | d1eccd59-d6f9-438f-ab74-a859d6e91f1b | mp-541221 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30Ba6H12N12O30
_chemical_formula_sum "Ba12 H24 N24 O60"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 36.451366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
... |
SuperCellAction | 8c63e7b0-f684-4bcf-8e48-7e87a7f49990 | mp-1223651 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La20Os12C13La20Os12C13La20Os12C13La20Os12C13
_chemical_formula_sum "La80 Os48 C52"
_cell_length_a 63.873328
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 236a6524-b04b-44db-a17e-1aa85ee05edd | mp-1175183 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... | data_image0
_chemical_formula_structural Li14Mn8Co2O24Li14Mn8Co2O24Li14Mn8Co2O24Li14Mn8Co2O24Li14Mn8Co2O24Li14Mn8Co2O24Li14Mn8Co2O24Li14Mn8Co2O24
_chemical_formula_sum "Li112 Mn64 Co16 O192"
_cell_length_a 23.72362924
_cell_length_b 20.737682260000003
_cell_length_c 8.0209691
_cell_... |
SuperCellAction | 2879ed44-a2de-4943-98c1-96d950e1ee8f | mp-678 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17
_chemical_formula_sum "Mg432 Ag136"
_cell_length_a 24.88802698
_cell_length_b 12.4440135
_cell_length_c 49.776054
_cell_angle_alpha 107.636966
_cell_angle_beta 110.186738... |
SuperCellAction | 66f8b5a5-e69a-40c8-8aaf-1839323be821 | mp-1374432 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_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 Mg4Ni4As4O20Mg4Ni4As4O20Mg4Ni4As4O20Mg4Ni4As4O20Mg4Ni4As4O20Mg4Ni4As4O20
_chemical_formula_sum "Mg24 Ni24 As24 O120"
_cell_length_a 5.80487
_cell_length_b 14.9759
_cell_length_c 25.156167
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 5ed43f1a-f918-484d-87f2-e89b76050f53 | mp-1175476 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... | data_image0
_chemical_formula_structural Li9Co7O16Li9Co7O16
_chemical_formula_sum "Li18 Co14 O32"
_cell_length_a 2.98362
_cell_length_b 19.48848798
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_g... |
SuperCellAction | 6a7f132c-5be3-401b-a200-0067791e6b0a | mp-1043960 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28Mg4Ti4P8O28
_chemical_formula_sum "Mg24 Ti24 P48 O168"
_cell_length_a 8.631157
_cell_length_b 21.148052999999997
_cell_length_c 18.46754356
_cell_angle_alpha 66.35873965999998
_cell_an... |
SuperCellAction | 6d13b04d-f449-49dd-8551-ed87f720f607 | mp-2223123 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2MgTe2Mo3Se2S2MgTe2Mo3Se2S2MgTe2Mo3Se2S2
_chemical_formula_sum "Mg4 Te8 Mo12 Se8 S8"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 123.847624
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cel... |
SuperCellAction | 75ba55b1-10d5-4bd0-a91b-0c187785c7d7 | mp-1246526 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8Sr6Ru4N8
_chemical_formula_sum "Sr36 Ru24 N48"
_cell_length_a 7.27355484
_cell_length_b 17.9875939
_cell_length_c 16.945820339999997
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_ce... |
SuperCellAction | 36e448a1-6fe9-48d6-b5e3-361fa4a9edec | mp-684709 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... | data_image0
_chemical_formula_structural K6B34K6B34K6B34K6B34
_chemical_formula_sum "K24 B136"
_cell_length_a 13.30794988
_cell_length_b 26.61589976
_cell_length_c 26.615899760000005
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753... |
SuperCellAction | d65991b2-1ffe-4618-b36f-238f08ff3349 | mp-1026735 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14SbCeMg14Sb
_chemical_formula_sum "Ce2 Mg28 Sb2"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 21.10541118
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_nam... |
SuperCellAction | a5b949e5-2f97-4d64-8642-2e479097a90a | mp-18112 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr8Ge8Se20Sr8Ge8Se20Sr8Ge8Se20Sr8Ge8Se20Sr8Ge8Se20Sr8Ge8Se20
_chemical_formula_sum "Sr48 Ge48 Se120"
_cell_length_a 24.7869799
_cell_length_b 8.52535437
_cell_length_c 36.609736770000005
_cell_angle_alpha 49.38111078000001
_cell_angle_beta... |
SuperCellAction | 0f7b7e72-dacf-4fe5-b8b6-1bcd8294664c | mp-1110899 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6K2LiSbBr6K2LiSbBr6K2LiSbBr6K2LiSbBr6K2LiSbBr6
_chemical_formula_sum "K12 Li6 Sb6 Br36"
_cell_length_a 7.82342236
_cell_length_b 15.64684472
_cell_length_c 23.470267080000003
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 732850d8-32b2-42eb-857e-26addc1f3434 | mp-559286 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_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 Na8Al6Ge6Cl2O24Na8Al6Ge6Cl2O24Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na24 Al18 Ge18 Cl6 O72"
_cell_length_a 9.141085
_cell_length_b 27.423255
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | ba1febba-99c2-446a-8236-306488808fc3 | mp-13456 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural Zn5S5Zn5S5
_chemical_formula_sum "Zn10 S10"
_cell_length_a 15.72505019
_cell_length_b 31.450100380000002
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.908401... |
SuperCellAction | e6144822-4aa2-4957-b0e5-3092e1eac7a4 | mp-778743 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16Li10Cu2P4O16
_chemical_formula_sum "Li80 Cu16 P32 O128"
_cell_length_a 12.309152
_cell_length_b 5.383631
_cell_length_c 39.92570936
_cell_angle_alpha 89.89... |
SuperCellAction | a5d77cf8-5fd5-44b0-adfb-eec3bf95f8ab | mp-11321 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O14Y6Ta2O14Y6Ta2O14
_chemical_formula_sum "Y18 Ta6 O42"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 22.30976451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_g... |
SuperCellAction | ae7f894f-5601-44eb-ae10-97726f06b112 | mp-36383 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... | data_image0
_chemical_formula_structural Ag3P2O8Ag3P2O8Ag3P2O8Ag3P2O8Ag3P2O8Ag3P2O8Ag3P2O8Ag3P2O8
_chemical_formula_sum "Ag24 P16 O64"
_cell_length_a 23.08684004
_cell_length_b 11.54341856
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630... |
SuperCellAction | ab0983db-23db-46f5-8b75-85730c480d8c | mp-1218449 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12
_chemical_formula_sum "Sr12 Ca36 Ir12 O72"
_cell_length_a 13.364716
_cell_length_b 20.047074000000002
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_an... |
SuperCellAction | c534ce8b-83e0-4865-b09f-45b606b94b5a | mp-1246897 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMg2Mn3S8LuMg2Mn3S8LuMg2Mn3S8LuMg2Mn3S8LuMg2Mn3S8LuMg2Mn3S8LuMg2Mn3S8LuMg2Mn3S8
_chemical_formula_sum "Lu8 Mg16 Mn24 S64"
_cell_length_a 14.85028624
_cell_length_b 14.8502425
_cell_length_c 14.84899988
_cell_angle_alpha 59.42698339
_cell_... |
SuperCellAction | 1be27401-51d9-4518-8909-b2da75366bec | mp-1522056 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6CaEuTiSnO6
_chemical_formula_sum "Ca8 Eu8 Ti8 Sn8 O48"
_cell_length_a 22.644164
_cell_length_b 11.322082
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cel... |
SuperCellAction | 1bdcef57-ce90-4a40-b69a-918fa3589bc3 | mp-777349 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6
_chemical_formula_sum "Mn24 O24 F24"
_cell_length_a 18.682648
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma ... |
SuperCellAction | 0f07263f-4bac-4fe5-8bad-84872d83beef | mp-694554 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28
_chemical_formula_sum "Mn48 P64 O224"
_cell_length_a 16.14235516
_cell_length_b 14.1689163
_cell_length_c 18.78364818
_cell_angle_alpha 70.02909736999999
_cell_angle_beta ... |
SuperCellAction | ca06c985-313b-4b22-8b01-69d14236f2f3 | mp-697807 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48Li2Mn8P14O48
_chemical_formula_sum "Li4 Mn16 P28 O96"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 21.54322374
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamm... |
SuperCellAction | e5faf71a-a016-4f0f-b608-0fdab0e79e63 | mp-676665 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24Ba8Ta4Ti2Zn2O24Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba24 Ta12 Ti6 Zn6 O72"
_cell_length_a 30.310267380000003
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta ... |
SuperCellAction | eea8455e-378c-488a-bfdd-bc2540dd2caa | mp-2240405 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6MgMn2Ag2O6MgMn2Ag2O6MgMn2Ag2O6
_chemical_formula_sum "Mg4 Mn8 Ag8 O24"
_cell_length_a 5.30224908
_cell_length_b 24.21122392
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_ang... |
SuperCellAction | e84f01ac-cbb6-4d87-9a60-795ba5ea5966 | mp-573073 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38Cs14Cu12F38
_chemical_formula_sum "Cs112 Cu96 F304"
_cell_length_a 25.01563696
_cell_length_b 22.88145526
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.6... |
SuperCellAction | fd0d7e41-1b23-4516-9ecc-4630f77c25f7 | mp-1217186 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12Ti3Sn5S12Ti3Sn5S12
_chemical_formula_sum "Ti9 Sn15 S36"
_cell_length_a 10.85808153
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 3ae8f40a-9e11-46c3-9aa7-5546583a57da | mp-1033422 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_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 BaMg6CO8BaMg6CO8
_chemical_formula_sum "Ba2 Mg12 C2 O16"
_cell_length_a 17.33065272
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 481af6db-52c9-4445-a4be-8bfa10764542 | mp-760055 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30Li3Mn3V3P6H6O30Li3Mn3V3P6H6O30Li3Mn3V3P6H6O30
_chemical_formula_sum "Li12 Mn12 V12 P24 H24 O120"
_cell_length_a 29.77591972
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cel... |
SuperCellAction | 49d03da5-87da-4fc9-8abd-fd9c1eb0159d | mp-1174755 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li48 Mn12 Co24 O84"
_cell_length_a 3.01693
_cell_length_b 23.34898389
_cell_length_c 22.26288102
_cell_angle_alpha 79.73668353
_cell_angle_beta... |
SuperCellAction | 57b2780a-2699-4802-91a6-704b5da80770 | mp-1213037 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 K4Li4As4K4Li4As4K4Li4As4K4Li4As4
_chemical_formula_sum "K16 Li16 As16"
_cell_length_a 4.311587
_cell_length_b 51.471864
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 6d73b582-e85c-41a2-89a9-561f9b91ae91 | mp-2241517 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... | data_image0
_chemical_formula_structural MgTlV4O10MgTlV4O10MgTlV4O10MgTlV4O10MgTlV4O10MgTlV4O10MgTlV4O10MgTlV4O10
_chemical_formula_sum "Mg8 Tl8 V32 O80"
_cell_length_a 7.61947734
_cell_length_b 6.39254685
_cell_length_c 41.20619296
_cell_angle_alpha 99.21036911
_cell_angle_beta ... |
SuperCellAction | bc455985-9621-4b3d-9316-20f8e488dbaf | mp-1200624 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40K4V6P8O40
_chemical_formula_sum "K32 V48 P64 O320"
_cell_length_a 6.274862
_cell_length_b 44.93047204
_cell_length_c 25.7110884
_cell_angle_alpha 106.62234945
_cell_angle_beta ... |
SuperCellAction | 6993b539-a790-4557-a349-4534b0398bca | mp-2240560 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6MgTiCo2O6
_chemical_formula_sum "Mg2 Ti2 Co4 O12"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 11.606917919999999
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 8... |
SuperCellAction | 8ae0db2f-0fee-4383-a414-e6b5ef32d04c | mp-1213576 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu64 Ni8 Sb24 S104 N48"
_cell_length_a 25.07723936
_cell_length_b 25.077239360000004
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_ce... |
SuperCellAction | e25be60d-704a-423e-929a-55a82e4f8826 | mp-862656 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... | data_image0
_chemical_formula_structural Er5Al15Er5Al15Er5Al15Er5Al15
_chemical_formula_sum "Er20 Al60"
_cell_length_a 12.36137364
_cell_length_b 24.72274728
_cell_length_c 24.72274532
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma ... |
SuperCellAction | 8ceda053-0129-4337-bfe9-e30f8b1b7822 | mp-1304002 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16Li8Ni6Bi2O16
_chemical_formula_sum "Li64 Ni48 Bi16 O128"
_cell_length_a 24.1771604
_cell_length_b 10.53646859
_cell_length_c 12.087135619999998
_cell_angle_al... |
SuperCellAction | 514c46b9-c909-420c-89c8-867a5f6b3402 | mp-1520242 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6BaNaPrSeO6BaNaPrSeO6
_chemical_formula_sum "Ba3 Na3 Pr3 Se3 O18"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 17.68406049
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | e2112d3c-2430-4c46-ba93-bfdb2702105a | mp-1200098 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_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 Ir4W4N20Cl4O16Ir4W4N20Cl4O16Ir4W4N20Cl4O16Ir4W4N20Cl4O16Ir4W4N20Cl4O16Ir4W4N20Cl4O16
_chemical_formula_sum "Ir24 W24 N120 Cl24 O96"
_cell_length_a 26.984969999999997
_cell_length_b 9.214026
_cell_length_c 24.54739
_cell_angle_alpha 90.0
_c... |
SuperCellAction | 49298671-494e-4dca-9c90-cf94ba6a71d5 | mp-23083 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KAs4BrO6KAs4BrO6KAs4BrO6KAs4BrO6
_chemical_formula_sum "K4 As16 Br4 O24"
_cell_length_a 5.34714576
_cell_length_b 10.69429152
_cell_length_c 18.46222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
... |
SuperCellAction | df180ddc-e6b2-481b-ac59-0508034f3e2d | mp-753980 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12Li4Mn2TeWO12Li4Mn2TeWO12Li4Mn2TeWO12Li4Mn2TeWO12Li4Mn2TeWO12
_chemical_formula_sum "Li24 Mn12 Te6 W6 O72"
_cell_length_a 5.32417188
_cell_length_b 21.298935540000002
_cell_length_c 28.067658719999997
_cell_angle_alpha 28.504502... |
SuperCellAction | 2c5e98f8-5dc7-462c-bb93-bce99745667e | mp-759181 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_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 Li4Mn4P12O36Li4Mn4P12O36Li4Mn4P12O36Li4Mn4P12O36Li4Mn4P12O36Li4Mn4P12O36Li4Mn4P12O36Li4Mn4P12O36
_chemical_formula_sum "Li32 Mn32 P96 O288"
_cell_length_a 10.787432
_cell_length_b 41.219492
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_... |
SuperCellAction | e31030e0-b593-4b42-acdc-ffe712dcc521 | mp-1173106 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... | data_image0
_chemical_formula_structural Tb8Cu3Te16Tb8Cu3Te16Tb8Cu3Te16Tb8Cu3Te16Tb8Cu3Te16Tb8Cu3Te16Tb8Cu3Te16Tb8Cu3Te16
_chemical_formula_sum "Tb64 Cu24 Te128"
_cell_length_a 25.09181182
_cell_length_b 19.72697394
_cell_length_c 16.265442779999997
_cell_angle_alpha 90.14494182
... |
SuperCellAction | 7428728c-42a0-40c5-a23c-4c64dd96085f | mp-1931800 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28Mn13Si2Sb2O28
_chemical_formula_sum "Mn52 Si8 Sb8 O112"
_cell_length_a 5.58741782
_cell_length_b 35.38202460000001
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954... |
SuperCellAction | 3a74c64a-c365-4410-94e7-ef867dd48da2 | mp-680561 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_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 U10Re6C16U10Re6C16U10Re6C16U10Re6C16U10Re6C16U10Re6C16U10Re6C16U10Re6C16
_chemical_formula_sum "U80 Re48 C128"
_cell_length_a 11.40374963
_cell_length_b 45.61499852
_cell_length_c 6.57201362
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | b7c46bf6-7cb9-472f-8d8d-146cb6e0d345 | mp-1233814 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20MgCr8P4O20MgCr8P4O20MgCr8P4O20MgCr8P4O20MgCr8P4O20MgCr8P4O20MgCr8P4O20
_chemical_formula_sum "Mg8 Cr64 P32 O160"
_cell_length_a 31.75678656
_cell_length_b 6.62347725
_cell_length_c 15.1850875
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | e0b95073-3008-46a8-965b-d43729276dfe | mp-758465 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16Li8Fe4Si4O16Li8Fe4Si4O16Li8Fe4Si4O16Li8Fe4Si4O16Li8Fe4Si4O16
_chemical_formula_sum "Li48 Fe24 Si24 O96"
_cell_length_a 15.110562
_cell_length_b 6.341048
_cell_length_c 21.97182498
_cell_angle_alpha 87.58882018000001
_cell_angle... |
SuperCellAction | 41f29d02-a47c-45f8-b75e-6e4299dfd18f | mp-25285 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12Mn4Ni2O12Mn4Ni2O12Mn4Ni2O12Mn4Ni2O12Mn4Ni2O12
_chemical_formula_sum "Mn24 Ni12 O72"
_cell_length_a 5.01128075
_cell_length_b 10.0225615
_cell_length_c 30.039639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 5f581401-6968-4a35-9c2b-8aa82a3a45a6 | mp-1191005 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... | data_image0
_chemical_formula_structural La2Br6O14La2Br6O14La2Br6O14La2Br6O14La2Br6O14La2Br6O14La2Br6O14La2Br6O14
_chemical_formula_sum "La16 Br48 O112"
_cell_length_a 27.831696
_cell_length_b 15.25334174
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta ... |
SuperCellAction | 56658812-7929-44e9-b86a-ddf32a4d95b6 | mp-26228 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28V4P8O28V4P8O28V4P8O28
_chemical_formula_sum "V16 P32 O112"
_cell_length_a 12.58343648
_cell_length_b 12.58343648
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angl... |
SuperCellAction | 225afba6-385b-4311-a737-0ce72d6ded3e | mp-626835 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... | data_image0
_chemical_formula_structural H16Pt2O12H16Pt2O12
_chemical_formula_sum "H32 Pt4 O24"
_cell_length_a 11.222994
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_gro... |
SuperCellAction | 641de058-142b-4145-8cf5-832c87c4f7b6 | mp-1034441 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16Mg14CrSnO16
_chemical_formula_sum "Mg56 Cr4 Sn4 O64"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 17.44861768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | efea509e-505e-4fd9-87ff-d05985ab10d2 | mp-1178408 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12Cs8Hf4O12
_chemical_formula_sum "Cs64 Hf32 O96"
_cell_length_a 6.508997
_cell_length_b 14.587921139999999
_cell_length_c 58.150916
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | ec6336b1-89aa-46b6-bbec-3d0082dc889f | mp-1207705 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_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 Tm4Rh4O12Tm4Rh4O12
_chemical_formula_sum "Tm8 Rh8 O24"
_cell_length_a 10.34889304
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | f096351a-d9ac-45fb-8758-89560b369fc6 | mp-1215346 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4Zr4Al4Cr4Zr4Al4Cr4Zr4Al4Cr4
_chemical_formula_sum "Zr16 Al16 Cr16"
_cell_length_a 10.29565848
_cell_length_b 5.14863872
_cell_length_c 17.207832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000... |
SuperCellAction | 83135a40-c332-465f-96f7-70e747fa6eeb | mp-614981 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_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 Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6Ba2NdCu3O6
_chemical_formula_sum "Ba16 Nd8 Cu24 O48"
_cell_length_a 15.700908
_cell_length_b 7.850454
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 0d219942-c228-4943-a83d-0732e7cb8de7 | mp-1205450 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_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 Pu8Se12Pu8Se12Pu8Se12Pu8Se12
_chemical_formula_sum "Pu32 Se48"
_cell_length_a 22.6151829
_cell_length_b 8.20067872
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SuperCellAction | ff0c5cc2-ca3c-48c5-b76d-02fcdc6afb35 | mp-1106129 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9Bi4Te2Br2O9
_chemical_formula_sum "Bi32 Te16 Br16 O72"
_cell_length_a 5.570488
_cell_length_b 22.281952
_cell_length_c 19.633954
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | 1404e2a0-9a3f-43f8-bc5b-78ff0abc474e | mp-625819 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural H32N8O4H32N8O4H32N8O4
_chemical_formula_sum "H96 N24 O12"
_cell_length_a 27.167532
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SuperCellAction | f7339730-a84a-44b2-a16f-b12513332943 | mp-30210 | Create a supercell with the size 4 by 1 by 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 38.57864772
_cell_length_b 9.64465667
_cell_length_c 13.96700342
_cell_angle_alpha 90.00002461
_cell_ang... |
SuperCellAction | 5f10defc-b04f-4168-aa9d-ce8f79eb73cf | mp-758053 | Create a supercell with the size 1x2x1. | 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 Nb2Cr2O8Nb2Cr2O8
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 5.57055069
_cell_length_b 11.14109796
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_s... |
SuperCellAction | 84cdcfab-7506-4ceb-a35a-a3d9c00f3be1 | mp-630329 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24Pb8Se8O24
_chemical_formula_sum "Pb64 Se64 O192"
_cell_length_a 8.07301543
_cell_length_b 35.39426236
_cell_length_c 18.378641959999996
_cell_angle_alpha 76.60234519
_cell_angl... |
SuperCellAction | 0fb6d7a7-cbd3-4fbe-85f4-afc32dcc05d1 | mp-1110620 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6Na2TlCoF6Na2TlCoF6Na2TlCoF6
_chemical_formula_sum "Na8 Tl4 Co4 F24"
_cell_length_a 6.195451
_cell_length_b 12.39089984
_cell_length_c 12.39090022
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_an... |
SuperCellAction | 07f1f86d-67f4-460d-bc54-4d50fd050259 | mp-1206399 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6Rb2LiVCl6Rb2LiVCl6Rb2LiVCl6Rb2LiVCl6Rb2LiVCl6
_chemical_formula_sum "Rb12 Li6 V6 Cl36"
_cell_length_a 21.37524597
_cell_length_b 7.125081989999999
_cell_length_c 12.15245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | a17f15b8-0248-4e12-be48-974055dcb892 | mp-1212002 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_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 K8Er8Se16O64K8Er8Se16O64K8Er8Se16O64K8Er8Se16O64K8Er8Se16O64K8Er8Se16O64K8Er8Se16O64K8Er8Se16O64
_chemical_formula_sum "K64 Er64 Se128 O512"
_cell_length_a 22.768736
_cell_length_b 18.127346
_cell_length_c 27.753806
_cell_angle_alpha 90.0
... |
SuperCellAction | 4d9c1405-8b51-4518-a45e-a75ee749273d | mp-557384 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_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 Mg4U4B8O28Mg4U4B8O28Mg4U4B8O28Mg4U4B8O28
_chemical_formula_sum "Mg16 U16 B32 O112"
_cell_length_a 29.575968
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 321b68de-d411-4e20-a8d5-08ac77d4b4a9 | mp-755275 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... | data_image0
_chemical_formula_structural Li2Fe2Ni2O8Li2Fe2Ni2O8Li2Fe2Ni2O8
_chemical_formula_sum "Li6 Fe6 Ni6 O24"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 17.82841041
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gam... |
SwapAtomsAction | 56505161-b7c3-4e0a-9813-30fa5ad68e6f | mp-36529 | Swap the spatial positions of atoms at indices 32 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na3WOW8O19WO10
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 6b7214fe-8884-4db2-b7e7-5ae19e881a4f | mp-1192151 | Swap the spatial positions of atoms at indices 21 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn8AsZnAs7Zn
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_grou... |
SwapAtomsAction | 8552079a-871d-40b6-b2c5-6e8940db6a4e | mp-1190262 | Swap the spatial positions of atoms at indices 10 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr6SbZr4Sb5Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M... |
SwapAtomsAction | b9e546e3-4033-43de-81ae-d8c3ca9baee0 | mp-1174686 | Swap the spatial positions of atoms at indices 5 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... | data_image0
_chemical_formula_structural Li5OLi2Mn2Co4O8LiO5
_chemical_formula_sum "Li8 O14 Mn2 Co4"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_sp... |
SwapAtomsAction | fa667b38-0a29-40c8-ac59-9cfe46e4136c | mp-776484 | Swap the spatial positions of atoms at indices 84 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P4OP11O50PO7
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
... |
SwapAtomsAction | a02ded65-a6a2-4007-9740-869737af7e41 | mp-36982 | Swap the spatial positions of atoms at indices 8 and 49 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_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 Mg2Ti6STi9S31Ti
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 3612e43f-38e2-494f-a4cc-cd4c867f6b9f | mp-1214497 | Swap the spatial positions of atoms at indices 15 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P5O6PO18F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_a... |
SwapAtomsAction | c10bff18-7981-4500-a027-699fe3bea2fe | mp-534935 | Swap the spatial positions of atoms at indices 83 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... | data_image0
_chemical_formula_structural Sr3Pr8OPrAl12Si18N36O4PrO13
_chemical_formula_sum "Sr3 Pr10 O18 Al12 Si18 N36"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle... |
SwapAtomsAction | f5f95a64-2c38-45a1-a7ab-4fb53523ffdb | mp-5626 | Swap the spatial positions of atoms at indices 18 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K4TeK7Sb4Te2KTe9
_chemical_formula_sum "K12 Te12 Sb4"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | d1d3072d-cf2c-43ef-861b-68c8a5c69e79 | mp-772666 | Swap the spatial positions of atoms at indices 2 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li2OLiCr4O4LiO9
_chemical_formula_sum "Li4 O14 Cr4"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_spac... |
SwapAtomsAction | 29ca7c02-6e4f-41d3-b445-d24f4cb51568 | mp-1214285 | Swap the spatial positions of atoms at indices 18 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_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 Be8Si7Ag3SiAg13O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | b3e451a9-0344-4a77-b947-9300cb022ae6 | mp-580962 | Swap the spatial positions of atoms at indices 5 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 Rb2C3I4CI2N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
SwapAtomsAction | 95acc061-8fc4-4bc6-9e6f-7b25cc62604a | mp-6192 | Swap the spatial positions of atoms at indices 3 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural SbBaDyBaO6
_chemical_formula_sum "Sb1 Ba2 Dy1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 5... |
SwapAtomsAction | 0a2284a3-0c6e-41aa-bca5-50ce6a3c3437 | mp-771389 | Swap the spatial positions of atoms at indices 3 and 39 in the cif file. The indices of atoms are started from 0. | 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 Li3OLi4V12Bi4O15LiO16
_chemical_formula_sum "Li8 O32 V12 Bi4"
_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
... |
SwapAtomsAction | df60c0a2-39c2-4b4c-a669-f38b598d20a3 | mp-6606 | Swap the spatial positions of atoms at indices 17 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2NSi7N5SiN8
_chemical_formula_sum "Sr2 Y2 N14 Si8"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_grou... |
SwapAtomsAction | 00e8d463-71d7-4875-a399-4329580cecfa | mp-777562 | Swap the spatial positions of atoms at indices 12 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10Mn3F16
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448468579... | data_image0
_chemical_formula_structural Li10Mn2F6MnF10
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.44846... |
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