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 | f582e94d-31c1-492a-ba15-b6954a99b224 | mp-1200154 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural P8Pb4O32
_chemical_formula_sum "P8 Pb4 O32"
_cell_length_a 7.8682906
_cell_length_b 8.05711769
_cell_length_c 11.840985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.23814935
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural P8Pb4O32P8Pb4O32P8Pb4O32P8Pb4O32P8Pb4O32P8Pb4O32
_chemical_formula_sum "P48 Pb24 O192"
_cell_length_a 15.7365812
_cell_length_b 8.05711769
_cell_length_c 35.522954999999996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 607f6c00-a46b-473e-bc61-e454ed4d4686 | mp-1105573 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ba4Gd2Ga2Te10
_chemical_formula_sum "Ba4 Gd2 Ga2 Te10"
_cell_length_a 7.886872
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_cell_angle_gamma 107.37670959999998
_... | data_image0
_chemical_formula_structural Ba4Gd2Ga2Te10Ba4Gd2Ga2Te10Ba4Gd2Ga2Te10Ba4Gd2Ga2Te10
_chemical_formula_sum "Ba16 Gd8 Ga8 Te40"
_cell_length_a 31.547488
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_... |
SuperCellAction | 9db9b7d4-c9bb-42a4-9063-24fce96dff4f | mp-2219347 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2S4MgTe4Mo2W2S4MgTe4Mo2W2S4
_chemical_formula_sum "Mg3 Te12 Mo6 W6 S12"
_cell_length_a 10.101192000000001
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_... |
SuperCellAction | 3114e82e-287f-426e-9f1c-2bc9aa21f2ef | mp-1237261 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3MnF12Ba3MnF12Ba3MnF12Ba3MnF12Ba3MnF12Ba3MnF12
_chemical_formula_sum "Ba18 Mn6 F72"
_cell_length_a 24.50209089
_cell_length_b 16.33472726
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_ce... |
SuperCellAction | 1a64eabc-0f83-4c58-a001-f259a8235dcc | mp-672679 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4Y16In4Ir4
_chemical_formula_sum "Y128 In32 Ir32"
_cell_length_a 19.37267484
_cell_length_b 9.68635535
_cell_length_c 38.74542156
_cell_angle_alpha 59.999905070000004
_cell_angl... |
SuperCellAction | ac4a1bbc-bee3-40c7-9cf6-9905b81cda9b | mp-1228441 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31
_chemical_formula_sum "Ba56 Hg248"
_cell_length_a 43.87992792
_cell_length_b 21.940014559999998
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 5717733e-71b1-40e2-ba44-6be853d93771 | mp-1111648 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2NaDyCl6K2NaDyCl6K2NaDyCl6K2NaDyCl6
_chemical_formula_sum "K8 Na4 Dy4 Cl24"
_cell_length_a 15.16625818
_cell_length_b 15.16625818
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_... |
SuperCellAction | 0c21273c-51d3-418e-9dde-1b300bc966de | mp-1201281 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28
_chemical_formula_sum "Cs12 Np12 Mo12 O84"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 31.631736000000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 25dc5d2b-75eb-4bad-8abc-67c604eb2eba | mp-1208464 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb16Mg4Co4Tb16Mg4Co4Tb16Mg4Co4Tb16Mg4Co4
_chemical_formula_sum "Tb64 Mg16 Co16"
_cell_length_a 9.56896751
_cell_length_b 38.27616144
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell... |
SuperCellAction | 107c1653-385e-4a38-b306-d10c2b3df056 | mp-1222170 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Mg3MnNi3O8
_chemical_formula_sum "Mg3 Mn1 Ni3 O8"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60.51667... | data_image0
_chemical_formula_structural Mg3MnNi3O8Mg3MnNi3O8Mg3MnNi3O8Mg3MnNi3O8
_chemical_formula_sum "Mg12 Mn4 Ni12 O32"
_cell_length_a 23.79306252
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.5166730400... |
SuperCellAction | c472b291-ddf9-47a2-8d57-2df886a79cf1 | mp-559052 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28Li2Nb6Bi8O28
_chemical_formula_sum "Li4 Nb12 Bi16 O56"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 24.50600412
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041... |
SuperCellAction | fe1a09d5-5e05-4e6f-9e0a-96556be58804 | mp-2715422 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48Na12Sc4Al4P12O48
_chemical_formula_sum "Na48 Sc16 Al16 P48 O192"
_cell_length_a 30.60352368
_cell_length_b 8.79478446
_cell_length_c 17.71754336
_cell_angle_alpha 90.10127945
_cell_angle_beta... |
SuperCellAction | 1b1a5eb4-5963-411c-a5d4-1dcfc6a53b87 | mp-1249486 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Mn12Si12O48
_chemical_formula_sum "Mn12 Si12 O48"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... | data_image0
_chemical_formula_structural Mn12Si12O48Mn12Si12O48Mn12Si12O48
_chemical_formula_sum "Mn36 Si36 O144"
_cell_length_a 10.01614152
_cell_length_b 30.048424559999997
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_g... |
SuperCellAction | 47ceae35-ed2b-4ac9-8a7f-3947e8625534 | mp-557006 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12
_chemical_formula_sum "Na48 Sb24 S24 O96 F72"
_cell_length_a 24.77044737
_cell_length_b 8.25681579
_cell_length_c 22.05932988
_cell_angle_alpha 90.0
_cell... |
SuperCellAction | 5e82b0e1-1a25-408a-b35c-11294f3d0e3b | mp-1076741 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24
_chemical_formula_sum "Sr6 Ca2 Co7 Cu1 O24"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group_name_... | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24Sr6Ca2Co7CuO24Sr6Ca2Co7CuO24Sr6Ca2Co7CuO24Sr6Ca2Co7CuO24Sr6Ca2Co7CuO24
_chemical_formula_sum "Sr36 Ca12 Co42 Cu6 O144"
_cell_length_a 15.3922722
_cell_length_b 23.088408300000005
_cell_length_c 7.71022
_cell_angle_alpha 90.0
... |
SuperCellAction | b308b2fd-f3c6-4724-8941-e70a36eee5dc | mp-1246897 | Create a supercell with the size 4 by 2 by 1. | 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 29.70057248
_cell_length_b 14.8502425
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_a... |
SuperCellAction | a62b2b4a-4e64-4489-bf3b-2048c2094f6a | mp-768624 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Li8Fe4P4C4O28
_chemical_formula_sum "Li8 Fe4 P4 C4 O28"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.23214153
_s... | data_image0
_chemical_formula_structural Li8Fe4P4C4O28Li8Fe4P4C4O28Li8Fe4P4C4O28Li8Fe4P4C4O28Li8Fe4P4C4O28Li8Fe4P4C4O28Li8Fe4P4C4O28Li8Fe4P4C4O28
_chemical_formula_sum "Li64 Fe32 P32 C32 O224"
_cell_length_a 5.090515
_cell_length_b 13.021448879999998
_cell_length_c 66.52012668
_cell... |
SuperCellAction | e57dd197-481c-4e49-a672-38bbc2f0168f | mp-2233834 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural MgFe4O6F2
_chemical_formula_sum "Mg1 Fe4 O6 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_space_gro... | data_image0
_chemical_formula_structural MgFe4O6F2MgFe4O6F2MgFe4O6F2MgFe4O6F2
_chemical_formula_sum "Mg4 Fe16 O24 F8"
_cell_length_a 5.29233428
_cell_length_b 19.14194586
_cell_length_c 6.1434695
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma ... |
SuperCellAction | 8b22ea0f-46e6-499b-8622-1f5a2606d9f1 | mp-1218118 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12
_chemical_formula_sum "Sr4 Sm12 Mn16 O48"
_cell_length_a 15.519694
_cell_length_b 10.933508
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | f8f932cd-e479-45bc-8460-4e74d190b9ea | mp-1247633 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23
_chemical_formula_sum "Sr1 Ca7 Mn6 Cr2 O23"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma 89.951... | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23SrCa7Mn6Cr2O23SrCa7Mn6Cr2O23
_chemical_formula_sum "Sr3 Ca21 Mn18 Cr6 O69"
_cell_length_a 7.63631933
_cell_length_b 23.00761335
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000... |
SuperCellAction | 9a12090a-959c-42b7-86cc-21fb0e9bcb22 | mp-1102559 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb4Se8Nb4Se8Nb4Se8Nb4Se8
_chemical_formula_sum "Nb16 Se32"
_cell_length_a 7.03149212
_cell_length_b 7.03149212
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_grou... |
SuperCellAction | f8a3a2ac-dc09-4961-baab-c37c069be0f1 | mp-1305999 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8Li3TiNi4O8
_chemical_formula_sum "Li24 Ti8 Ni32 O64"
_cell_length_a 11.79561534
_cell_length_b 11.80719706
_cell_length_c 11.83900294
_cell_angle_alpha 119.9103038699999... |
SuperCellAction | 91c4ad8a-0329-450f-8954-bd127bfe7f4a | mp-23477 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Mn4Bi4O12
_chemical_formula_sum "Mn4 Bi4 O12"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_nam... | data_image0
_chemical_formula_structural Mn4Bi4O12Mn4Bi4O12Mn4Bi4O12Mn4Bi4O12Mn4Bi4O12Mn4Bi4O12
_chemical_formula_sum "Mn24 Bi24 O72"
_cell_length_a 11.25803234
_cell_length_b 16.88835477
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_c... |
SuperCellAction | febaa926-38a2-48f2-9491-159e174d80b8 | mp-1211547 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural K8Th4O12
_chemical_formula_sum "K8 Th4 O12"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_group... | data_image0
_chemical_formula_structural K8Th4O12K8Th4O12K8Th4O12
_chemical_formula_sum "K24 Th12 O36"
_cell_length_a 19.25581479
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.10... |
SuperCellAction | d5c8efb9-a4c3-4634-ac64-d306d0642ed3 | mp-1196274 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Mg4C6Cl2O30
_chemical_formula_sum "Mg4 C6 Cl2 O30"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35717676... | data_image0
_chemical_formula_structural Mg4C6Cl2O30Mg4C6Cl2O30Mg4C6Cl2O30Mg4C6Cl2O30Mg4C6Cl2O30Mg4C6Cl2O30Mg4C6Cl2O30Mg4C6Cl2O30
_chemical_formula_sum "Mg32 C48 Cl16 O240"
_cell_length_a 14.05252094
_cell_length_b 28.10504188
_cell_length_c 56.21008696
_cell_angle_alpha 29.35717... |
SuperCellAction | 8827f9fb-5314-4e8d-a82f-18fe145a0848 | mp-800838 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H30O30Mn2Al2P4H30O30Mn2Al2P4H30O30Mn2Al2P4H30O30
_chemical_formula_sum "Mn8 Al8 P16 H120 O120"
_cell_length_a 19.422948
_cell_length_b 10.19269047
_cell_length_c 14.02143908
_cell_angle_alpha 109.53788970000001
_cell_angle_beta ... |
SuperCellAction | ec748370-8e2f-4664-a9bd-81724b7535bb | mp-1200810 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Cs16Nb8S44
_chemical_formula_sum "Cs16 Nb8 S44"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_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 Cs16Nb8S44Cs16Nb8S44Cs16Nb8S44Cs16Nb8S44Cs16Nb8S44Cs16Nb8S44
_chemical_formula_sum "Cs96 Nb48 S264"
_cell_length_a 28.489828
_cell_length_b 8.242934
_cell_length_c 56.27001
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 16d1a296-310c-4af9-8eb9-de42cf06ce94 | mp-1210133 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28
_chemical_formula_sum "Na24 Ga24 P48 O168"
_cell_length_a 7.923065
_cell_length_b 14.748176
_cell_length_c 28.72299858
_cell_angle_alpha 67.84418012
_cell_angle_beta 90... |
SuperCellAction | 507ecc58-9840-4dfd-874c-e4c7451069b1 | mp-1227615 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4ZrCo25Ce4ZrCo25Ce4ZrCo25
_chemical_formula_sum "Ce12 Zr3 Co75"
_cell_length_a 4.00569073
_cell_length_b 14.56312284
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.... |
SuperCellAction | 69a6647b-0a1c-49a6-9444-410cc1b47405 | mp-2019122 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Sm4Br8
_chemical_formula_sum "Sm4 Br8"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_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 Sm4Br8Sm4Br8Sm4Br8Sm4Br8
_chemical_formula_sum "Sm16 Br32"
_cell_length_a 3.97962433
_cell_length_b 27.1960166
_cell_length_c 14.29591839
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | fc794061-8bcc-495b-b737-1860bf7b9c28 | mp-861565 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Mn7O3F9
_chemical_formula_sum "Mn7 O3 F9"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group_name_... | data_image0
_chemical_formula_structural Mn7O3F9Mn7O3F9Mn7O3F9Mn7O3F9Mn7O3F9Mn7O3F9Mn7O3F9Mn7O3F9
_chemical_formula_sum "Mn56 O24 F72"
_cell_length_a 12.639234
_cell_length_b 12.73719478
_cell_length_c 12.94366546
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.106172519999... |
SuperCellAction | 9c58ac9b-a777-4c5a-b0b4-31be88806ae9 | mp-995218 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural H8C10O4
_chemical_formula_sum "H8 C10 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_sp... | data_image0
_chemical_formula_structural H8C10O4H8C10O4H8C10O4H8C10O4H8C10O4H8C10O4H8C10O4H8C10O4
_chemical_formula_sum "H64 C80 O32"
_cell_length_a 18.318096
_cell_length_b 6.002159869999999
_cell_length_c 18.23953194
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.657910... |
SuperCellAction | dfca6702-e31c-4b6d-8015-d3fe33b1d489 | mp-1192592 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Ce6Mg23Sb
_chemical_formula_sum "Ce6 Mg23 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Ce6Mg23SbCe6Mg23SbCe6Mg23SbCe6Mg23SbCe6Mg23SbCe6Mg23Sb
_chemical_formula_sum "Ce36 Mg138 Sb6"
_cell_length_a 30.855317160000002
_cell_length_b 10.28510572
_cell_length_c 20.57021144
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | e9f097e5-29b0-4bd9-aa42-75fd3610f30a | mp-1217721 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4
_chemical_formula_sum "Tb48 Al64 Fe32"
_cell_length_a 5.41548454
_cell_length_b 21.68455964
_cell_length_c 26.86904094
_cell_angle_alpha 90.33912397
_cell_angle_beta ... |
SuperCellAction | ff7ee683-0245-470f-9972-1bce2f3c76de | mp-24508 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Zr4H12N4F16
_chemical_formula_sum "Zr4 H12 N4 F16"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_group_... | data_image0
_chemical_formula_structural Zr4H12N4F16Zr4H12N4F16Zr4H12N4F16Zr4H12N4F16
_chemical_formula_sum "Zr16 H48 N16 F64"
_cell_length_a 6.146749
_cell_length_b 16.38298658
_cell_length_c 17.40000406
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle... |
SuperCellAction | 2246e117-ac58-496e-9a36-9090e80f49c4 | mp-769705 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... | data_image0
_chemical_formula_structural Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16Cd4Co8O16
_chemical_formula_sum "Cd24 Co48 O96"
_cell_length_a 10.133586
_cell_length_b 5.90934957
_cell_length_c 33.032553840000006
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697... |
SuperCellAction | 6a765a6e-0250-4916-8637-b27d707008df | mp-775461 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li8V12Fe4O32
_chemical_formula_sum "Li8 V12 Fe4 O32"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_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 Li8V12Fe4O32Li8V12Fe4O32Li8V12Fe4O32Li8V12Fe4O32Li8V12Fe4O32Li8V12Fe4O32
_chemical_formula_sum "Li48 V72 Fe24 O192"
_cell_length_a 25.259706
_cell_length_b 16.839804
_cell_length_c 8.529101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 4d4a4e36-e944-4770-97bd-a41e276604c7 | mp-1246907 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8Sr6Co4N8
_chemical_formula_sum "Sr48 Co32 N64"
_cell_length_a 14.13618818
_cell_length_b 8.63697807
_cell_length_c 22.2349528
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.418... |
SuperCellAction | 2e4a161f-a3ed-47ad-967a-c6d508c8dff1 | mp-28481 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32Ti2Cl8O32Ti2Cl8O32Ti2Cl8O32Ti2Cl8O32Ti2Cl8O32Ti2Cl8O32Ti2Cl8O32
_chemical_formula_sum "Ti16 Cl64 O256"
_cell_length_a 7.36965456
_cell_length_b 29.47838648
_cell_length_c 25.97421634
_cell_angle_alpha 73.70079455
_cell_angle_beta ... |
SuperCellAction | afe65dd0-efb4-4eaa-bfbe-11587dfda903 | mp-2240397 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6MgCd2Bi2O6
_chemical_formula_sum "Mg8 Cd16 Bi16 O48"
_cell_length_a 22.25835804
_cell_length_b 7.0200275
_cell_length_c 11.542151099999998
_cell_angle_alpha 63.132460419... |
SuperCellAction | 33639fa5-9260-4c2e-8006-042148ca67b4 | mp-1031722 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Mg6CoBiO8
_chemical_formula_sum "Mg6 Co1 Bi1 O8"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_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 Mg6CoBiO8Mg6CoBiO8Mg6CoBiO8Mg6CoBiO8Mg6CoBiO8Mg6CoBiO8Mg6CoBiO8Mg6CoBiO8
_chemical_formula_sum "Mg48 Co8 Bi8 O64"
_cell_length_a 35.80046496
_cell_length_b 8.94585106
_cell_length_c 4.47292553
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | 98ad02d5-46b8-49e6-bc8d-4066c483a445 | mp-734012 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44K8Lu4Si16O44
_chemical_formula_sum "K64 Lu32 Si128 O352"
_cell_length_a 34.500184
_cell_length_b 11.685121
_cell_length_c 23.66021456
_cell_angle_alpha 68.... |
SuperCellAction | 295b21fc-32c4-4331-ac66-d9bead40125e | mp-1192907 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr6P4O16Cr6P4O16Cr6P4O16Cr6P4O16
_chemical_formula_sum "Cr24 P16 O64"
_cell_length_a 4.83687353
_cell_length_b 15.998894699999997
_cell_length_c 21.564572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999... |
SuperCellAction | a228a12a-f074-43de-abd2-abe0207dd40f | mp-753597 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4V2F12
_chemical_formula_sum "Li4 V2 F12"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Li4V2F12Li4V2F12Li4V2F12Li4V2F12
_chemical_formula_sum "Li16 V8 F48"
_cell_length_a 10.460436
_cell_length_b 10.40011
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 73ae4a45-7c11-48a0-990a-d81ae63e27fb | mp-1209813 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Sm6Sn26Ru8
_chemical_formula_sum "Sm6 Sn26 Ru8"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.00031337
_sp... | data_image0
_chemical_formula_structural Sm6Sn26Ru8Sm6Sn26Ru8Sm6Sn26Ru8Sm6Sn26Ru8
_chemical_formula_sum "Sm24 Sn104 Ru32"
_cell_length_a 19.49056158
_cell_length_b 9.745272429999998
_cell_length_c 19.49052468
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_c... |
SuperCellAction | 5f1ef7d6-303e-4df6-bcbd-9dc2551ed049 | mp-7152 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs12 Zr12 Cu12 Se36"
_cell_length_a 11.839086
_cell_length_b 16.76974054
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 00b903df-4920-42f7-8050-4d03658b8810 | mp-559593 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6P3S9N15F6P3S9N15F6P3S9N15F6
_chemical_formula_sum "P12 S36 N60 F24"
_cell_length_a 46.11409556
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_... |
SuperCellAction | a4ce6e37-36dd-48ed-ab5c-b2833269e0c5 | mp-1245382 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Ca28V4N24
_chemical_formula_sum "Ca28 V4 N24"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_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 Ca28V4N24Ca28V4N24Ca28V4N24Ca28V4N24Ca28V4N24Ca28V4N24
_chemical_formula_sum "Ca168 V24 N144"
_cell_length_a 22.2701222
_cell_length_b 6.32763812
_cell_length_c 38.78171493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | dd0aa9f3-a3af-446f-88be-bf437ead51f8 | mp-1039781 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 NaMg30WO32NaMg30WO32
_chemical_formula_sum "Na2 Mg60 W2 O64"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 17.12036
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SuperCellAction | 904d110d-5494-40e3-bb6e-180709dc3ce2 | mp-1182886 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al8O24Al8O24Al8O24Al8O24Al8O24Al8O24
_chemical_formula_sum "Al48 O144"
_cell_length_a 5.430238
_cell_length_b 17.875792
_cell_length_c 36.47943765
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | b9180155-66ca-49b2-b3fa-53961d7de508 | mp-1194089 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CaMn28CaMn28CaMn28CaMn28CaMn28CaMn28CaMn28CaMn28
_chemical_formula_sum "Ca8 Mn224"
_cell_length_a 30.3529364
_cell_length_b 7.5882341
_cell_length_c 15.1764682
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_ga... |
SuperCellAction | 3f94a300-5653-48ba-8b08-d1e8839703c5 | mp-774656 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5Ti6FeO16Li5Ti6FeO16Li5Ti6FeO16Li5Ti6FeO16
_chemical_formula_sum "Li20 Ti24 Fe4 O64"
_cell_length_a 23.8872
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | e5ea8365-7157-4521-9748-b6d26faad6b1 | mp-1204504 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural U4C8O24
_chemical_formula_sum "U4 C8 O24"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_name_H-M... | data_image0
_chemical_formula_structural U4C8O24U4C8O24U4C8O24U4C8O24U4C8O24U4C8O24
_chemical_formula_sum "U24 C48 O144"
_cell_length_a 15.3416585
_cell_length_b 23.01248775
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamm... |
SuperCellAction | 4baa918b-aba3-42a5-bb24-a9f97c797351 | mp-1204422 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Mg4P8H40N8O32
_chemical_formula_sum "Mg4 P8 H40 N8 O32"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Mg4P8H40N8O32Mg4P8H40N8O32Mg4P8H40N8O32Mg4P8H40N8O32Mg4P8H40N8O32Mg4P8H40N8O32Mg4P8H40N8O32Mg4P8H40N8O32
_chemical_formula_sum "Mg32 P64 H320 N64 O256"
_cell_length_a 42.315492
_cell_length_b 6.494162
_cell_length_c 25.816789360000005
_cell_a... |
SuperCellAction | 0b02f20f-f97d-40c5-a0cf-8824d8a32120 | mp-1196023 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Sc6Ni22Ge8
_chemical_formula_sum "Sc6 Ni22 Ge8"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sc6Ni22Ge8Sc6Ni22Ge8Sc6Ni22Ge8
_chemical_formula_sum "Sc18 Ni66 Ge24"
_cell_length_a 8.07399297
_cell_length_b 24.22197891
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_g... |
SuperCellAction | 5adc9190-3539-405b-a5d4-f26ef8fa0cb4 | mp-1022621 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2Mg12Zn2Cu2
_chemical_formula_sum "Mg96 Zn16 Cu16"
_cell_length_a 19.777856
_cell_length_b 5.998818
_cell_length_c 21.10133
_cell_angle_alpha 90.0
_cell_angle_beta 90... |
SuperCellAction | c85aec72-4f94-4a07-abca-04a385fb7f0f | mp-1188333 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Y4Co14
_chemical_formula_sum "Y4 Co14"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838999999... | data_image0
_chemical_formula_structural Y4Co14Y4Co14Y4Co14Y4Co14Y4Co14Y4Co14
_chemical_formula_sum "Y24 Co84"
_cell_length_a 24.74998068
_cell_length_b 12.37499034
_cell_length_c 37.12497168
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999999
_cell_angle_g... |
SuperCellAction | 7e0dc2fb-39e9-4a3c-a41e-77963b29979d | mp-567194 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32Mn8Nb36Ge32
_chemical_formula_sum "Mn64 Nb288 Ge256"
_cell_length_a 10.672914
_cell_length_b 56.010244
_cell_length_c 16.848987
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | f497669e-eb84-4e08-b178-eec07ce85963 | mp-1073481 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8Mg4Si8
_chemical_formula_sum "Mg32 Si64"
_cell_length_a 10.45726194
_cell_length_b 20.91452388
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
... |
SuperCellAction | 73d33164-f0a5-46de-b190-75ffab147566 | mp-10299 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ca8Pd2O12
_chemical_formula_sum "Ca8 Pd2 O12"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
_spac... | data_image0
_chemical_formula_structural Ca8Pd2O12Ca8Pd2O12Ca8Pd2O12Ca8Pd2O12Ca8Pd2O12Ca8Pd2O12Ca8Pd2O12Ca8Pd2O12
_chemical_formula_sum "Ca64 Pd16 O96"
_cell_length_a 13.08376824
_cell_length_b 26.16753648
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle... |
SuperCellAction | a9f2b057-e733-42f2-b65d-da132a16bef7 | mp-30447 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Sr18Cd8Bi18Sr18Cd8Bi18Sr18Cd8Bi18Sr18Cd8Bi18Sr18Cd8Bi18
_chemical_formula_sum "Sr108 Cd48 Bi108"
_cell_length_a 9.85703258
_cell_length_b 13.3750904
_cell_length_c 70.76163747
_cell_angle_alpha 89.99999363
_cell_angle_beta 9... |
SuperCellAction | ac031d48-0467-4fae-a0dc-9b4387bbedc0 | mp-978968 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4Ti6O4Ti6O4Ti6O4
_chemical_formula_sum "Ti24 O16"
_cell_length_a 10.20356508
_cell_length_b 10.20496522
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.993... |
SuperCellAction | cac5a705-2b05-4336-b1ce-e0e22e63c2eb | mp-627591 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16Fe8Si4S16
_chemical_formula_sum "Fe64 Si32 S128"
_cell_length_a 5.808157
_cell_length_b 28.107708
_cell_length_c 24.333054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | f013841d-199b-4d1a-813b-4b959f1c5c47 | mp-731799 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36Mg12C6Cl6O36
_chemical_formula_sum "Mg96 C48 Cl48 O288"
_cell_length_a 15.036928
_cell_length_b 53.46976348
_cell_length_c 13.44225658
_cell_angle_alpha 11... |
SuperCellAction | 4b24cb7a-eb16-4d86-a0ef-fd5390e7b95b | mp-849991 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe12F48Li24Fe12F48Li24Fe12F48Li24Fe12F48Li24Fe12F48Li24Fe12F48
_chemical_formula_sum "Li144 Fe72 F288"
_cell_length_a 14.984376
_cell_length_b 8.78959
_cell_length_c 53.60684000999999
_cell_angle_alpha 60.89034093
_cell_angle_beta ... |
SuperCellAction | fbdb16e9-1362-4c5c-9b9c-355dd1d7611c | mp-551407 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Co2Se2O8
_chemical_formula_sum "Co2 Se2 O8"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group_n... | data_image0
_chemical_formula_structural Co2Se2O8Co2Se2O8Co2Se2O8Co2Se2O8Co2Se2O8Co2Se2O8
_chemical_formula_sum "Co12 Se12 O48"
_cell_length_a 14.681812139999998
_cell_length_b 4.89395285
_cell_length_c 13.0495446
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.003342... |
SuperCellAction | 78b5ba81-60c3-4bd6-98a3-1629da205173 | mp-2526683 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21W7O21W7O21W7O21W7O21W7O21
_chemical_formula_sum "W42 O126"
_cell_length_a 14.8033772
_cell_length_b 7.57954804
_cell_length_c 25.30508619
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma ... |
SuperCellAction | 8fa4d8fa-4849-4c43-af38-cc8ad025606c | mp-757606 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16Li4Ni4P4O16
_chemical_formula_sum "Li24 Ni24 P24 O96"
_cell_length_a 16.48393506
_cell_length_b 6.239611080000001
_cell_length_c 18.5637499
_cell_angle_alpha 105.10267002000002
_cell_a... |
SuperCellAction | 67bdd48d-314f-4cc9-8a03-88767ea7176b | mp-1229206 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural BaCaFe24O38
_chemical_formula_sum "Ba1 Ca1 Fe24 O38"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaCaFe24O38BaCaFe24O38BaCaFe24O38BaCaFe24O38
_chemical_formula_sum "Ba4 Ca4 Fe96 O152"
_cell_length_a 12.01928472
_cell_length_b 6.009527
_cell_length_c 46.661898
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.000... |
SuperCellAction | 1688c2a1-c680-4027-bcf0-feccfeea3905 | mp-568693 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6Gd2Al18Ni6
_chemical_formula_sum "Gd16 Al144 Ni48"
_cell_length_a 10.01121256
_cell_length_b 40.04485024
_cell_length_c 20.02242216
_cell_angle_alpha 42.44124238
_cell_a... |
SuperCellAction | 3b156876-a2c0-4223-a830-0fe66a08cc6d | mp-1516887 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6Eu2NiWO6Eu2NiWO6Eu2NiWO6Eu2NiWO6Eu2NiWO6
_chemical_formula_sum "Eu12 Ni6 W6 O36"
_cell_length_a 16.92721767
_cell_length_b 11.28481178
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.9999999999... |
SuperCellAction | cfa524d8-d51c-4e8b-b3c1-2890ae19f1f4 | mp-24473 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16Be4P4H16N4O16
_chemical_formula_sum "Be24 P24 H96 N24 O96"
_cell_length_a 14.77950519
_cell_length_b 8.58708058
_cell_length_c 17.41981076
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | ea06f314-4a6c-4b60-a63b-a17abdced645 | mp-1040902 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32
_chemical_formula_sum "Mg16 Cr32 P32 O128"
_cell_length_a 36.9024996
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angl... |
SuperCellAction | 3c5b29fa-6a76-4d2d-ac45-7df073f9336c | mp-1028063 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnGaMg14MnGaMg14MnGaMg14MnGaMg14MnGaMg14MnGa
_chemical_formula_sum "Mg84 Mn6 Ga6"
_cell_length_a 12.49844598
_cell_length_b 18.7476675
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120... |
SuperCellAction | 1fc44cc7-d5f0-4b8d-b9e1-4b89d5322d39 | mp-1040902 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32Mg4Cr8P8O32
_chemical_formula_sum "Mg32 Cr64 P64 O256"
_cell_length_a 9.2256249
_cell_length_b 36.9024996
_cell_length_c 32.97513428
_cell_angle_alpha 61.10839695... |
SuperCellAction | 0eb98ce9-50c1-47d6-a941-e2c325afcac8 | mp-1194492 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18Al4Te2S2O18Al4Te2S2O18Al4Te2S2O18
_chemical_formula_sum "Al16 Te8 S8 O72"
_cell_length_a 19.067344
_cell_length_b 10.064074
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 9627e735-26cf-41d6-a5b5-cc7c8dd6e113 | mp-2228468 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural K2MgFe4O7
_chemical_formula_sum "K2 Mg1 Fe4 O7"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831429999... | data_image0
_chemical_formula_structural K2MgFe4O7K2MgFe4O7
_chemical_formula_sum "K4 Mg2 Fe8 O14"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 16.756970480000003
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.0... |
SuperCellAction | 6f6b5c77-7388-45b8-8138-13285281a3d9 | mp-28131 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural C4Se16Br8
_chemical_formula_sum "C4 Se16 Br8"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_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 C4Se16Br8C4Se16Br8C4Se16Br8C4Se16Br8C4Se16Br8C4Se16Br8C4Se16Br8C4Se16Br8
_chemical_formula_sum "C32 Se128 Br64"
_cell_length_a 4.37646079
_cell_length_b 34.3007468
_cell_length_c 42.79782276
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | b484b9c5-e5ed-48c2-b589-a9f21de2d70b | mp-674849 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8
_chemical_formula_sum "Tl12 Bi12 F48"
_cell_length_a 7.41208346
_cell_length_b 8.34217287
_cell_length_c 18.900862260000004
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 3a95d449-6c23-4943-a2c0-481f6559109e | mp-1225526 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Eu4Ga8As8
_chemical_formula_sum "Eu4 Ga8 As8"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Ga8As8Eu4Ga8As8
_chemical_formula_sum "Eu8 Ga16 As16"
_cell_length_a 8.0916886
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SuperCellAction | 7cf89030-20be-4901-820e-c8f429c8b7c6 | mp-1228691 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Al4GaSb5
_chemical_formula_sum "Al4 Ga1 Sb5"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_space_g... | data_image0
_chemical_formula_structural Al4GaSb5Al4GaSb5Al4GaSb5Al4GaSb5Al4GaSb5Al4GaSb5
_chemical_formula_sum "Al24 Ga6 Sb30"
_cell_length_a 23.30822938
_cell_length_b 34.96234407
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389
_cell_angle_beta 149.02009783
_cell_... |
SuperCellAction | 5db67f72-1ecd-4b6b-899c-bca667dd14ad | mp-1030107 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Te6MoW3Se2
_chemical_formula_sum "Te6 Mo1 W3 Se2"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Te6MoW3Se2Te6MoW3Se2Te6MoW3Se2Te6MoW3Se2Te6MoW3Se2Te6MoW3Se2
_chemical_formula_sum "Te36 Mo6 W18 Se12"
_cell_length_a 10.493986979999999
_cell_length_b 3.49799566
_cell_length_c 79.35264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 8f6c5080-f8d1-4bed-a277-695a18b65f21 | mp-1193261 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8
_chemical_formula_sum "Cs32 H32 C32 N64 O64"
_cell_length_a 19.502728
_cell_length_b 13.717342
_cell_length_c 15.923123319999998
_cell_angle_alpha 90.... |
SuperCellAction | 9b648ad9-903f-45b8-b43d-62e8d4f0b012 | mp-1195825 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24Si12Br24
_chemical_formula_sum "Si24 Br48"
_cell_length_a 10.66445078
_cell_length_b 21.32890156
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.5854698499999... |
SuperCellAction | d32ad815-9199-4164-8925-bf7b0dbfaed8 | mp-14485 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38La2Ta14O38La2Ta14O38
_chemical_formula_sum "La6 Ta42 O114"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 60.13248411
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979... |
SuperCellAction | 7ac2d300-3fe6-4965-9706-258991b5bba6 | mp-771907 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Li4Mn5Sn3O16
_chemical_formula_sum "Li4 Mn5 Sn3 O16"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_grou... | data_image0
_chemical_formula_structural Li4Mn5Sn3O16Li4Mn5Sn3O16Li4Mn5Sn3O16
_chemical_formula_sum "Li12 Mn15 Sn9 O48"
_cell_length_a 18.28572549
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma ... |
SuperCellAction | 5fbfbcc7-96eb-4985-8ce8-ea0e6c67c80e | mp-768066 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Li8Mn10Fe8O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn10Fe8O36Li8Mn10Fe8O36Li8Mn10Fe8O36Li8Mn10Fe8O36Li8Mn10Fe8O36Li8Mn10Fe8O36Li8Mn10Fe8O36Li8Mn10Fe8O36
_chemical_formula_sum "Li64 Mn80 Fe64 O288"
_cell_length_a 11.639704
_cell_length_b 18.2351
_cell_length_c 24.90984087
_cell_angle_alpha ... |
SuperCellAction | 75beeaec-8027-485d-92ad-bc1102b782ad | mp-1227514 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14Ca4Ga4Ge2O14Ca4Ga4Ge2O14Ca4Ga4Ge2O14
_chemical_formula_sum "Ca16 Ga16 Ge8 O56"
_cell_length_a 7.979943
_cell_length_b 21.031588
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | e6860af4-f1f4-4b23-a2fd-53e1613db149 | mp-1195695 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural H24C8I2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 10... | data_image0
_chemical_formula_structural H24C8I2N2O4F4H24C8I2N2O4F4
_chemical_formula_sum "H48 C16 I4 N4 O8 F8"
_cell_length_a 9.5067812
_cell_length_b 19.013562399999998
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_an... |
SuperCellAction | 66fc6389-c2dd-49a2-974a-91fef5fe08f4 | mp-1217523 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural TbIn7Cu5
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_grou... | data_image0
_chemical_formula_structural TbIn7Cu5TbIn7Cu5TbIn7Cu5TbIn7Cu5TbIn7Cu5TbIn7Cu5TbIn7Cu5TbIn7Cu5
_chemical_formula_sum "Tb8 In56 Cu40"
_cell_length_a 14.53182236
_cell_length_b 14.531822360000001
_cell_length_c 14.53182236
_cell_angle_alpha 134.31993762
_cell_angle_beta ... |
SuperCellAction | 09b01098-2ae3-4dc7-9b60-e5e12076f816 | mp-22106 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12
_chemical_formula_sum "Nd16 Ni16 O48"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 30.418044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | c7efa567-a1e2-4fd9-a506-2c28ef346bca | mp-755550 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Li4Cr2Fe2O8
_chemical_formula_sum "Li4 Cr2 Fe2 O8"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_g... | data_image0
_chemical_formula_structural Li4Cr2Fe2O8Li4Cr2Fe2O8Li4Cr2Fe2O8Li4Cr2Fe2O8Li4Cr2Fe2O8Li4Cr2Fe2O8Li4Cr2Fe2O8Li4Cr2Fe2O8
_chemical_formula_sum "Li32 Cr16 Fe16 O64"
_cell_length_a 10.306454
_cell_length_b 5.17358829
_cell_length_c 23.80124988
_cell_angle_alpha 106.7515928... |
SuperCellAction | 274b2fcd-23f8-46e6-ac6d-7077c5c0489b | mp-1198511 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Tb6Co8Ge26
_chemical_formula_sum "Tb6 Co8 Ge26"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_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 Tb6Co8Ge26Tb6Co8Ge26Tb6Co8Ge26
_chemical_formula_sum "Tb18 Co24 Ge78"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 26.344988999999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | afe8976f-cf01-4c4a-9a23-55171c77a4a4 | mp-721707 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12H24C12N16O12
_chemical_formula_sum "H48 C24 N32 O24"
_cell_length_a 5.01246734
_cell_length_b 10.02493468
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma ... |
SuperCellAction | bc7dfe7e-6acb-465d-b071-a6c9f72d1951 | mp-690490 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V4O16Ti4V4O16Ti4V4O16
_chemical_formula_sum "Ti12 V12 O48"
_cell_length_a 3.003347
_cell_length_b 19.389898889999998
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SuperCellAction | ab80fbc9-94ff-452a-9edf-e0a113efff8b | mp-753615 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4Li3Mn3O4F4
_chemical_formula_sum "Li12 Mn12 O16 F16"
_cell_length_a 5.80379245
_cell_length_b 24.17883576
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_ga... |
SuperCellAction | 617913e0-82c0-490e-ae29-fce311c9faed | mp-759690 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12Mn2H16N4F12Mn2H16N4F12Mn2H16N4F12
_chemical_formula_sum "Mn8 H64 N16 F48"
_cell_length_a 11.896041
_cell_length_b 11.896041
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055... |
SuperCellAction | 5532b72f-1ff1-485a-9b6a-caf58e0b2ae6 | mp-1032333 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 RbMg6CoO8RbMg6CoO8RbMg6CoO8RbMg6CoO8RbMg6CoO8RbMg6CoO8
_chemical_formula_sum "Rb6 Mg36 Co6 O48"
_cell_length_a 18.11285742
_cell_length_b 13.251187350000002
_cell_length_c 4.41706245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 1905c227-9d60-4846-bfa6-9f8115aeefda | mp-752915 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiV2Si2O8LiV2Si2O8LiV2Si2O8
_chemical_formula_sum "Li3 V6 Si6 O24"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 18.793110000000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_sp... |
SuperCellAction | 0c176b0e-6ec6-4413-8323-190c04113bc5 | mp-27013 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58Li18V6P16O58Li18V6P16O58Li18V6P16O58Li18V6P16O58Li18V6P16O58
_chemical_formula_sum "Li108 V36 P96 O348"
_cell_length_a 29.646079139999998
_cell_length_b 19.764052760000002
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_a... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.