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 | 67769087-808c-4201-bc80-19cddba043dc | mp-630927 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6Pb4SeBr6
_chemical_formula_sum "Pb32 Se8 Br48"
_cell_length_a 38.61415284
_cell_length_b 19.30707642
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.3... |
SuperCellAction | 18281825-dccf-449a-920e-e4d805211826 | mp-625941 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6TeH6O6
_chemical_formula_sum "Te2 H12 O12"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 10.74415784
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621... |
SuperCellAction | be351368-7571-49cd-8c35-3807172d3200 | mp-754697 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Li4Co4P4O16
_chemical_formula_sum "Li4 Co4 P4 O16"
_cell_length_a 4.54832761
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_gamma 74.86495942
_space... | data_image0
_chemical_formula_structural Li4Co4P4O16Li4Co4P4O16Li4Co4P4O16
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 13.64498283
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_ga... |
SuperCellAction | 8ac1180a-4a6f-4bd1-8c88-474a332c3b7f | mp-1113179 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6Cs2HgBiF6Cs2HgBiF6Cs2HgBiF6
_chemical_formula_sum "Cs8 Hg4 Bi4 F24"
_cell_length_a 13.84979222
_cell_length_b 13.84979222
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_a... |
SuperCellAction | 71d59adb-a549-4d84-ac4a-ce779984fc12 | mp-1234758 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8
_chemical_formula_sum "Cs4 Mg1 Mn4 H16 Cl12 O8"
_cell_length_a 8.05932716
_cell_length_b 9.12067176
_cell_length_c 11.780563170000002
_cell_angle_alpha 91.71989576999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8Cs4MgMn4H16Cl12O8Cs4MgMn4H16Cl12O8Cs4MgMn4H16Cl12O8Cs4MgMn4H16Cl12O8Cs4MgMn4H16Cl12O8
_chemical_formula_sum "Cs24 Mg6 Mn24 H96 Cl72 O48"
_cell_length_a 16.11865432
_cell_length_b 27.36201528
_cell_length_c 11.780563170000002
... |
SuperCellAction | 333daf1b-2fe7-4607-999b-dd4d9f8aa493 | mp-1247343 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12
_chemical_formula_sum "Ca60 Ti24 N72"
_cell_length_a 6.10657579
_cell_length_b 19.661739750000002
_cell_length_c 25.7923764
_cell_angle_alpha 90.00000041000001
_cell_angle_beta ... |
SuperCellAction | ae1263ba-1869-47e8-a704-34baa6535d17 | mp-1028304 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Mg14NbV
_chemical_formula_sum "Mg14 Nb1 V1"
_cell_length_a 6.33545752
_cell_length_b 6.18791402
_cell_length_c 10.08272657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.23257109000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14NbVMg14NbVMg14NbVMg14NbVMg14NbVMg14NbV
_chemical_formula_sum "Mg84 Nb6 V6"
_cell_length_a 19.006372560000003
_cell_length_b 6.18791402
_cell_length_c 20.16545314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119... |
SuperCellAction | b91a28cc-ba34-4f35-9107-e830dc293471 | mp-680301 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32K24As8O32K24As8O32K24As8O32
_chemical_formula_sum "K96 As32 O128"
_cell_length_a 33.11840356
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000... |
SuperCellAction | 200e41e2-e5d0-46ca-a7cb-9df410d94684 | mp-777845 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6O5F7Fe6O5F7
_chemical_formula_sum "Fe12 O10 F14"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 14.81847318
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space... |
SuperCellAction | 8f7154dd-91f5-4938-acc6-ecdc5d2e6464 | mp-1106129 | Create a supercell with the size 2*1*1. | 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 Bi4Te2Br2O9Bi4Te2Br2O9
_chemical_formula_sum "Bi8 Te4 Br4 O18"
_cell_length_a 11.140976
_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 ... |
SuperCellAction | a260a1a2-3abd-47ec-8761-242b153d8e33 | mp-558497 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Cr4P12O36
_chemical_formula_sum "Cr4 P12 O36"
_cell_length_a 6.5169054
_cell_length_b 13.29537631
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gamma 89.99988923999999
_spac... | data_image0
_chemical_formula_structural Cr4P12O36Cr4P12O36Cr4P12O36Cr4P12O36
_chemical_formula_sum "Cr16 P48 O144"
_cell_length_a 13.0338108
_cell_length_b 26.59075262
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gam... |
SuperCellAction | 7522f89e-b3b1-4435-9dbe-ef17c383002f | mp-866339 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P8O24Cd4P8O24Cd4P8O24
_chemical_formula_sum "Cd12 P24 O72"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 31.34870532
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.6825... |
SuperCellAction | b6d866c1-f821-4cc5-9a18-e3571b73b6b9 | mp-1647971 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28Li2V2P8H8O28Li2V2P8H8O28Li2V2P8H8O28
_chemical_formula_sum "Li8 V8 P32 H32 O112"
_cell_length_a 7.32070403
_cell_length_b 19.4476567
_cell_length_c 16.7021532
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cel... |
SuperCellAction | ed42bcd0-f562-48b7-bc84-c4c56c6eeb44 | mp-1028023 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14WYMg14WYMg14WYMg14WYMg14WYMg14W
_chemical_formula_sum "Y6 Mg84 W6"
_cell_length_a 12.79751174
_cell_length_b 19.19626602
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_s... |
SuperCellAction | 6e09e211-fbaa-4400-abdb-cfaebff17ed3 | mp-680301 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32K24As8O32K24As8O32K24As8O32K24As8O32K24As8O32K24As8O32K24As8O32
_chemical_formula_sum "K192 As64 O256"
_cell_length_a 33.11840356
_cell_length_b 8.27960089
_cell_length_c 33.78123204
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | 9df6c009-7daf-482d-a7b9-6ab30fe5a9a4 | mp-1247343 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12
_chemical_formula_sum "Ca60 Ti24 N72"
_cell_length_a 18.31972737
_cell_length_b 6.55391325
_cell_length_c 25.7923764
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.... |
SuperCellAction | 2483e7a3-b5c8-4221-9d0c-1df1444b63e9 | mp-1221251 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12
_chemical_formula_sum "Na4 Ni1 Ag2 S8 N5 O12"
_cell_length_a 10.28224903
_cell_length_b 10.282249029999997
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_beta 94.8151889
_cell_angle_gamma 146.316... | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12Na4NiAg2S8N5O12Na4NiAg2S8N5O12Na4NiAg2S8N5O12
_chemical_formula_sum "Na16 Ni4 Ag8 S32 N20 O48"
_cell_length_a 10.28224903
_cell_length_b 41.12899611999999
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_b... |
SuperCellAction | ff62743c-fd34-4abd-86a3-b0066a6628a5 | mp-768784 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Li24Mn5Cr7O36
_chemical_formula_sum "Li24 Mn5 Cr7 O36"
_cell_length_a 5.004966
_cell_length_b 9.74726665
_cell_length_c 13.310921080000002
_cell_angle_alpha 97.17720346
_cell_angle_beta 100.57243927
_cell_angle_gamma 94.482967350000... | data_image0
_chemical_formula_structural Li24Mn5Cr7O36Li24Mn5Cr7O36Li24Mn5Cr7O36Li24Mn5Cr7O36Li24Mn5Cr7O36Li24Mn5Cr7O36Li24Mn5Cr7O36Li24Mn5Cr7O36
_chemical_formula_sum "Li192 Mn40 Cr56 O288"
_cell_length_a 5.004966
_cell_length_b 38.9890666
_cell_length_c 26.621842160000003
_cell_an... |
SuperCellAction | 270d9038-0a00-4a01-b169-53093b4a9adc | mp-1209619 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6Rb3BiF6Rb3BiF6Rb3BiF6Rb3BiF6Rb3BiF6
_chemical_formula_sum "Rb18 Bi6 F36"
_cell_length_a 27.38408139
_cell_length_b 14.63310194
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302
_cell_angle_gam... |
SuperCellAction | a850889f-1691-414a-ac99-7ef74117f9dd | mp-770612 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li16Cr4H32S4O28
_chemical_formula_sum "Li16 Cr4 H32 S4 O28"
_cell_length_a 13.15412
_cell_length_b 5.357776
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li16Cr4H32S4O28Li16Cr4H32S4O28Li16Cr4H32S4O28Li16Cr4H32S4O28
_chemical_formula_sum "Li64 Cr16 H128 S16 O112"
_cell_length_a 13.15412
_cell_length_b 21.431104
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.... |
SuperCellAction | 4446035f-705f-4225-a8ff-798f1ae792c1 | mp-1006615 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20Cr4Cu4N24Cl20Cr4Cu4N24Cl20Cr4Cu4N24Cl20
_chemical_formula_sum "Cr16 Cu16 N96 Cl80"
_cell_length_a 10.13556
_cell_length_b 40.54224
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 42858323-7a14-4ed8-be9c-8adb966574c6 | mp-3653 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12Mg2Sb4O12
_chemical_formula_sum "Mg16 Sb32 O96"
_cell_length_a 4.66240552
_cell_length_b 9.32481104
_cell_length_c 37.05476792
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | 6c579f1f-fd81-4d4f-a894-9df9ca8c7ea6 | mp-571384 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural KMnAg3C6N6
_chemical_formula_sum "K1 Mn1 Ag3 C6 N6"
_cell_length_a 6.97062583
_cell_length_b 6.9706258299999995
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999839
_space_group_name_H... | data_image0
_chemical_formula_structural KMnAg3C6N6KMnAg3C6N6KMnAg3C6N6KMnAg3C6N6KMnAg3C6N6KMnAg3C6N6
_chemical_formula_sum "K6 Mn6 Ag18 C36 N36"
_cell_length_a 13.94125166
_cell_length_b 20.91187749
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 409b581d-222e-4a34-8ed4-0e7377db9deb | mp-1101293 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ti3VNi2P6O24
_chemical_formula_sum "Ti3 V1 Ni2 P6 O24"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 8.52010481
_cell_angle_alpha 60.95679372
_cell_angle_beta 60.95679372
_cell_angle_gamma 60.9567941
_space_gro... | data_image0
_chemical_formula_structural Ti3VNi2P6O24Ti3VNi2P6O24Ti3VNi2P6O24
_chemical_formula_sum "Ti9 V3 Ni6 P18 O72"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 25.56031443
_cell_angle_alpha 60.956793720000015
_cell_angle_beta 60.95679372
_cell_angl... |
SuperCellAction | 704066ec-e924-47da-b9ed-e15b73c2b47c | mp-1226365 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10
_chemical_formula_sum "Cs16 Cu24 Ni8 F80"
_cell_length_a 27.44762668
_cell_length_b 6.794607259999999
_cell_length_c 14.464812040000002
_cell_angle_alpha... |
SuperCellAction | f08421b1-0449-4ccd-85b7-80dd090443ea | mp-1247343 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12Ca10Ti4N12
_chemical_formula_sum "Ca40 Ti16 N48"
_cell_length_a 6.10657579
_cell_length_b 26.215653
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_g... |
SuperCellAction | 08ffc6fd-059c-463d-8c67-46f3a3d3314e | mp-779515 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Na8Bi4C8S2O32
_chemical_formula_sum "Na8 Bi4 C8 S2 O32"
_cell_length_a 10.61164822
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 60.72171207
_cell_angle_gamma 57.69613606... | data_image0
_chemical_formula_structural Na8Bi4C8S2O32Na8Bi4C8S2O32Na8Bi4C8S2O32Na8Bi4C8S2O32
_chemical_formula_sum "Na32 Bi16 C32 S8 O128"
_cell_length_a 42.44659288
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 6... |
SuperCellAction | 75315b67-c829-422a-bcfd-2f442023ccaa | mp-627632 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36Si16H8O36Si16H8O36Si16H8O36
_chemical_formula_sum "Si64 H32 O144"
_cell_length_a 15.23766606
_cell_length_b 15.237666060000002
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_g... |
SuperCellAction | 0f120450-d0fe-41b2-a514-9d5a64b2ede4 | mp-1220089 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Ni4Ge3As9
_chemical_formula_sum "Ni4 Ge3 As9"
_cell_length_a 7.2328248
_cell_length_b 7.2328248
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_gamma 71.21250094
_space_g... | data_image0
_chemical_formula_structural Ni4Ge3As9Ni4Ge3As9Ni4Ge3As9
_chemical_formula_sum "Ni12 Ge9 As27"
_cell_length_a 7.2328248
_cell_length_b 21.698474400000002
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_g... |
SuperCellAction | 65d7d814-e79c-4414-baa5-f09eba0744b3 | mp-558350 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16Te8Br16O24Zn16Te8Br16O24Zn16Te8Br16O24
_chemical_formula_sum "Zn48 Te24 Br48 O72"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 49.457709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
SuperCellAction | 6d16b277-d0cc-439f-9155-9dc788c9fb14 | mp-31502 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Sc2Cd14
_chemical_formula_sum "Sc2 Cd14"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 9.31748608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sc2Cd14Sc2Cd14Sc2Cd14Sc2Cd14
_chemical_formula_sum "Sc8 Cd56"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 37.26994432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_g... |
SuperCellAction | 01ca58c8-fd65-480d-a737-9609554ec255 | mp-1102412 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Cr4O8Cr4O8Cr4O8
_chemical_formula_sum "Cr12 O24"
_cell_length_a 12.79781577
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name... |
SuperCellAction | efbec1aa-d4d1-42c0-a973-ad7cdc2cf895 | mp-1214552 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40Ba8Cu6Si40
_chemical_formula_sum "Ba16 Cu12 Si80"
_cell_length_a 10.34362496
_cell_length_b 20.68725508
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998... |
SuperCellAction | 33c804ec-f299-426d-bbd8-d997b55bd4da | mp-1223668 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural KMnSn3O8
_chemical_formula_sum "K1 Mn1 Sn3 O8"
_cell_length_a 7.554677
_cell_length_b 7.554677
_cell_length_c 10.45240758
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600049999985
_cell_angle_gamma 24.819459619999993
... | data_image0
_chemical_formula_structural KMnSn3O8KMnSn3O8KMnSn3O8KMnSn3O8KMnSn3O8KMnSn3O8
_chemical_formula_sum "K6 Mn6 Sn18 O48"
_cell_length_a 7.554677
_cell_length_b 15.109354
_cell_length_c 31.357222739999997
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600... |
SuperCellAction | 2920ed83-990e-4154-b636-d95a01f29ce8 | mp-18010 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16Ta4Pd6Se16Ta4Pd6Se16Ta4Pd6Se16Ta4Pd6Se16Ta4Pd6Se16
_chemical_formula_sum "Ta24 Pd36 Se96"
_cell_length_a 3.58290865
_cell_length_b 33.37819815
_cell_length_c 30.9493451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | c3439fe4-b7bd-41a8-80b7-8891747d2c08 | mp-1519716 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24Pr4Mg4Bi8O24
_chemical_formula_sum "Pr32 Mg32 Bi64 O192"
_cell_length_a 16.87300124
_cell_length_b 8.43650062
_cell_length_c 33.74600248
_cell_angle_alpha ... |
SuperCellAction | 9ccc3849-6d42-4b40-ba51-fcc3b4b1e9c8 | mp-20083 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4
_chemical_formula_sum "Sc16 Cu16 Si16"
_cell_length_a 7.8966777
_cell_length_b 6.53023046
_cell_length_c 14.32103206
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 0fa52918-ab65-4e6b-839f-89238e59600a | mp-772223 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24Na12Fe4B8O24
_chemical_formula_sum "Na96 Fe32 B64 O192"
_cell_length_a 19.143466
_cell_length_b 11.103488
_cell_length_c 23.05202472
_cell_angle_alpha 65.2... |
SuperCellAction | ce48bf2a-d96a-4ee6-99c6-a37f6ef0d438 | mp-1026412 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnBaMg14SnBaMg14SnBaMg14SnBaMg14SnBaMg14Sn
_chemical_formula_sum "Ba6 Mg84 Sn6"
_cell_length_a 13.15999428
_cell_length_b 19.73998971
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 12... |
SuperCellAction | fef286af-8ee0-440a-a905-5efe6e9627b5 | mp-762529 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li2Fe5O10
_chemical_formula_sum "Li2 Fe5 O10"
_cell_length_a 5.15872651
_cell_length_b 5.141084059999999
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_gamma 101.34705274
_space_g... | data_image0
_chemical_formula_structural Li2Fe5O10Li2Fe5O10Li2Fe5O10Li2Fe5O10
_chemical_formula_sum "Li8 Fe20 O40"
_cell_length_a 5.15872651
_cell_length_b 20.564336239999996
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_ga... |
SuperCellAction | e440f6a8-9b68-41bd-8e09-11ee3f92d40e | mp-1042942 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12
_chemical_formula_sum "Ti2 Zn2 Ge4 O12"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 5.055276
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_angle_gamma 79.32597214
_space_group_... | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12Ti2Zn2Ge4O12Ti2Zn2Ge4O12Ti2Zn2Ge4O12
_chemical_formula_sum "Ti8 Zn8 Ge16 O48"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 20.221104
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_ang... |
SuperCellAction | 635ca357-44bb-428b-8193-c47e4b8474bf | mp-2228739 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Ba2YMgCo3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Co3 O8"
_cell_length_a 3.82677614
_cell_length_b 3.99076499
_cell_length_c 14.982411789999999
_cell_angle_alpha 90.00004725000001
_cell_angle_beta 89.99997689
_cell_angle_gamma 90.000028... | data_image0
_chemical_formula_structural Ba2YMgCo3O8Ba2YMgCo3O8Ba2YMgCo3O8Ba2YMgCo3O8Ba2YMgCo3O8Ba2YMgCo3O8Ba2YMgCo3O8Ba2YMgCo3O8
_chemical_formula_sum "Ba16 Y8 Mg8 Co24 O64"
_cell_length_a 7.65355228
_cell_length_b 3.99076499
_cell_length_c 59.929647159999995
_cell_angle_alpha 9... |
SuperCellAction | f28ffa5f-4a12-46ef-897a-e28b7c152233 | mp-1235631 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7
_chemical_formula_sum "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.894985
_cell_length_b 4.02463695
_cell_length_c 13.05510099
_cell_angle_alpha 86.16013427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7BaSrLiNdTlCu2O7BaSrLiNdTlCu2O7BaSrLiNdTlCu2O7BaSrLiNdTlCu2O7BaSrLiNdTlCu2O7
_chemical_formula_sum "Ba6 Sr6 Li6 Nd6 Tl6 Cu12 O42"
_cell_length_a 7.78997
_cell_length_b 4.02463695
_cell_length_c 39.16530297
_cell_angle_alpha 8... |
SuperCellAction | 045f26c6-4b82-4930-9c5a-c5dd69d20cdd | mp-778500 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Li10Ti2Mn18O40
_chemical_formula_sum "Li10 Ti2 Mn18 O40"
_cell_length_a 5.87694826
_cell_length_b 6.05119558
_cell_length_c 24.44071306
_cell_angle_alpha 89.18143844
_cell_angle_beta 95.5440936
_cell_angle_gamma 120.15124847000001
... | data_image0
_chemical_formula_structural Li10Ti2Mn18O40Li10Ti2Mn18O40Li10Ti2Mn18O40Li10Ti2Mn18O40Li10Ti2Mn18O40Li10Ti2Mn18O40
_chemical_formula_sum "Li60 Ti12 Mn108 O240"
_cell_length_a 11.75389652
_cell_length_b 18.153586739999998
_cell_length_c 24.44071306
_cell_angle_alpha 89.... |
SuperCellAction | 5927bc6d-a60c-4300-95f3-ba1a29ac787c | mp-1246200 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Os8Pb12N16
_chemical_formula_sum "Os8 Pb12 N16"
_cell_length_a 6.51957304
_cell_length_b 10.46974712
_cell_length_c 10.31904487
_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 Os8Pb12N16Os8Pb12N16Os8Pb12N16Os8Pb12N16Os8Pb12N16Os8Pb12N16
_chemical_formula_sum "Os48 Pb72 N96"
_cell_length_a 13.03914608
_cell_length_b 10.46974712
_cell_length_c 30.957134610000004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 85bc960e-0816-4cd5-8f80-bb6e6c8e133b | mp-1216954 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Tm6Sc6Ge6
_chemical_formula_sum "Tm12 Sc12 Ge12"
_cell_length_a 12.23500402
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102... |
SuperCellAction | 6c8a715e-edef-4989-847b-52533f7c3c1d | mp-1214127 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42
_chemical_formula_sum "Ca2 Al4 Si12 H20 O42"
_cell_length_a 17.578746
_cell_length_b 7.363444
_cell_length_c 7.521039390000001
_cell_angle_alpha 74.61427817
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42Ca2Al4Si12H20O42Ca2Al4Si12H20O42Ca2Al4Si12H20O42
_chemical_formula_sum "Ca8 Al16 Si48 H80 O168"
_cell_length_a 35.157492
_cell_length_b 7.363444
_cell_length_c 15.042078780000002
_cell_angle_alpha 74.61427817
_cell_angle_be... |
SuperCellAction | 27d00ce6-5db6-40a3-ad53-7e57949bd98e | mp-770718 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Mg4I8O24Mg4I8O24Mg4I8O24
_chemical_formula_sum "Mg12 I24 O72"
_cell_length_a 5.390324
_cell_length_b 17.11338
_cell_length_c 17.26379
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 303aeda5-0c35-4990-a16b-05608dcf730c | mp-3824 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6Ta9Ni2S6
_chemical_formula_sum "Ta72 Ni16 S48"
_cell_length_a 40.5992336
_cell_length_b 20.2996168
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | a22bb759-1d31-4e80-9a55-a63ff94e78ee | mp-9511 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4As2Au2S8K4As2Au2S8K4As2Au2S8K4As2Au2S8
_chemical_formula_sum "K16 As8 Au8 S32"
_cell_length_a 13.86561742
_cell_length_b 13.23534834
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | e7a96921-a9fe-44c8-bf3b-cffe229c65a6 | mp-555792 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12Na2Os4O12Na2Os4O12
_chemical_formula_sum "Na6 Os12 O36"
_cell_length_a 21.62382741
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
SuperCellAction | db7b1632-ce16-4601-9ad9-507c4fa81a48 | mp-767746 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16Li12Mn2Fe3O16
_chemical_formula_sum "Li72 Mn12 Fe18 O96"
_cell_length_a 17.451495
_cell_length_b 11.71716466
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_c... |
SuperCellAction | 8d5b94cc-4faa-488e-9b94-52c4555e3cb7 | mp-2230290 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural MgMn6O6F6
_chemical_formula_sum "Mg1 Mn6 O6 F6"
_cell_length_a 5.08737613
_cell_length_b 7.79122316
_cell_length_c 5.93357442
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
_cell_angle_gamma 89.99867143000002
_space_gro... | data_image0
_chemical_formula_structural MgMn6O6F6MgMn6O6F6MgMn6O6F6MgMn6O6F6MgMn6O6F6MgMn6O6F6
_chemical_formula_sum "Mg6 Mn36 O36 F36"
_cell_length_a 5.08737613
_cell_length_b 23.37366948
_cell_length_c 11.86714884
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
... |
SuperCellAction | 3c0b7d6d-c40e-4262-a5b9-53476d03791f | mp-1223717 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24K2Al6Si6H4O24
_chemical_formula_sum "K16 Al48 Si48 H32 O192"
_cell_length_a 10.4644798
_cell_length_b 10.50429756
_cell_length_c 41.201465760000005
_ce... |
SuperCellAction | 16cd8edd-f883-49a1-8249-09b5c591a45c | mp-31908 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Mn6Nb12O22
_chemical_formula_sum "Mn6 Nb12 O22"
_cell_length_a 6.12120682
_cell_length_b 15.31649322
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell_angle_gamma 89.999912449999... | data_image0
_chemical_formula_structural Mn6Nb12O22Mn6Nb12O22Mn6Nb12O22Mn6Nb12O22
_chemical_formula_sum "Mn24 Nb48 O88"
_cell_length_a 6.12120682
_cell_length_b 61.26597288
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell... |
SuperCellAction | 616fb106-c57a-4621-a147-0f7aace7130d | mp-1177762 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4
_chemical_formula_sum "Li4 V2 Fe2 P4 O16 F4"
_cell_length_a 6.976435
_cell_length_b 7.4203115099999994
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_cell_angle_beta 91.61388218
_cell_angle_gamma... | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4Li4V2Fe2P4O16F4Li4V2Fe2P4O16F4Li4V2Fe2P4O16F4
_chemical_formula_sum "Li16 V8 Fe8 P16 O64 F16"
_cell_length_a 13.95287
_cell_length_b 14.840623019999999
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_c... |
SuperCellAction | d32cc706-cc81-444c-8939-e2f316c8391c | mp-618177 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16K8Zn4Cl16
_chemical_formula_sum "K48 Zn24 Cl96"
_cell_length_a 14.3178462
_cell_length_b 8.87527911
_cell_length_c 37.72085415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 5ad47934-f8a0-4703-abf1-b8246d931ec8 | mp-1214678 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Ca2H12C12Br4O16
_chemical_formula_sum "Ca2 H12 C12 Br4 O16"
_cell_length_a 10.19776015
_cell_length_b 10.197760150000002
_cell_length_c 6.68699536
_cell_angle_alpha 81.39273033
_cell_angle_beta 81.39273033
_cell_angle_gamma 113.7215... | data_image0
_chemical_formula_structural Ca2H12C12Br4O16Ca2H12C12Br4O16Ca2H12C12Br4O16Ca2H12C12Br4O16Ca2H12C12Br4O16Ca2H12C12Br4O16
_chemical_formula_sum "Ca12 H72 C72 Br24 O96"
_cell_length_a 20.3955203
_cell_length_b 10.197760150000002
_cell_length_c 20.06098608
_cell_angle_alpha ... |
SuperCellAction | 27bfbe9f-53c1-41d1-8a3c-f4b50eb1e14d | mp-2232781 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2MgTi4Pb2O9F2
_chemical_formula_sum "Mg6 Ti24 Pb12 O54 F12"
_cell_length_a 11.27697081
_cell_length_b 17.222260719999998
_cell_length_c 7.98888701
_cell_angle_alpha 88.156702809999... |
SuperCellAction | 0529f7a9-8aa3-4866-a88e-696eb855cdbe | mp-754324 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Li4V3CrO8
_chemical_formula_sum "Li4 V3 Cr1 O8"
_cell_length_a 5.1846374
_cell_length_b 5.94699905
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443582
_space_group_nam... | data_image0
_chemical_formula_structural Li4V3CrO8Li4V3CrO8Li4V3CrO8
_chemical_formula_sum "Li12 V9 Cr3 O24"
_cell_length_a 5.1846374
_cell_length_b 17.84099715
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443... |
SuperCellAction | aec933c4-9152-4299-bbe3-4c4778821c83 | mp-557634 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24Na2V6P6O24
_chemical_formula_sum "Na16 V48 P48 O192"
_cell_length_a 36.64314444
_cell_length_b 9.16078611
_cell_length_c 18.32157222
_cell_angle_alpha 137.98311874
_cell... |
SuperCellAction | 3d5f5570-c85a-430d-a1f1-af151f09079b | mp-768442 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20Li4Mn4B8O20Li4Mn4B8O20Li4Mn4B8O20Li4Mn4B8O20Li4Mn4B8O20
_chemical_formula_sum "Li24 Mn24 B48 O120"
_cell_length_a 9.305121
_cell_length_b 12.106086
_cell_length_c 20.678432009999998
_cell_angle_alpha 75.55919999000001
_cell_angl... |
SuperCellAction | 3d3fc8ba-bf5f-47d1-868f-a86218525c0f | mp-1245478 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12
_chemical_formula_sum "Cr32 Fe64 N96"
_cell_length_a 10.06541226
_cell_length_b 17.3512151
_cell_length_c 19.84284202
_cell_angle_alpha 90.00000061
_cell_angle_beta ... |
SuperCellAction | 717f9af3-c19d-4271-ac7e-5cc8f1c76cba | mp-1223259 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural La2CoNiO6
_chemical_formula_sum "La2 Co1 Ni1 O6"
_cell_length_a 5.4274163
_cell_length_b 5.4274163
_cell_length_c 5.42741624
_cell_angle_alpha 61.602393410000005
_cell_angle_beta 61.60239340999999
_cell_angle_gamma 61.60238939
_spa... | data_image0
_chemical_formula_structural La2CoNiO6La2CoNiO6La2CoNiO6La2CoNiO6La2CoNiO6La2CoNiO6
_chemical_formula_sum "La12 Co6 Ni6 O36"
_cell_length_a 5.4274163
_cell_length_b 16.2822489
_cell_length_c 10.85483248
_cell_angle_alpha 61.60239340999999
_cell_angle_beta 61.60239... |
SuperCellAction | 040419cf-4833-4aec-8a68-e3c65b01035f | mp-29853 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Hg8C8N16
_chemical_formula_sum "Hg8 C8 N16"
_cell_length_a 6.922238
_cell_length_b 7.269546
_cell_length_c 10.654594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Hg8C8N16Hg8C8N16Hg8C8N16
_chemical_formula_sum "Hg24 C24 N48"
_cell_length_a 20.766714
_cell_length_b 7.269546
_cell_length_c 10.654594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | 17bbfa25-0632-435f-8f22-3e0e6a719bfd | mp-1188256 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural U4Ni4Se12U4Ni4Se12U4Ni4Se12U4Ni4Se12U4Ni4Se12U4Ni4Se12
_chemical_formula_sum "U24 Ni24 Se72"
_cell_length_a 12.510148
_cell_length_b 7.38731
_cell_length_c 26.520599999999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 821a969e-e09c-4776-a71a-a219f81a02e9 | mp-1209004 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10Sc4Tl2Cu6Se10Sc4Tl2Cu6Se10Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc16 Tl8 Cu24 Se40"
_cell_length_a 29.7843758
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 066fa2a9-7f84-47bf-8737-503b7d7d480e | mp-569221 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18Sm2C12N18
_chemical_formula_sum "Sm16 C96 N144"
_cell_length_a 28.40290396
_cell_length_b 14.20145198
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
... |
SuperCellAction | ecc23667-5060-42e9-b921-201d65192e3d | mp-1193989 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Sr4Tb8S16
_chemical_formula_sum "Sr4 Tb8 S16"
_cell_length_a 4.00512644
_cell_length_b 12.04160878
_cell_length_c 14.38451258
_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 Sr4Tb8S16Sr4Tb8S16Sr4Tb8S16Sr4Tb8S16
_chemical_formula_sum "Sr16 Tb32 S64"
_cell_length_a 4.00512644
_cell_length_b 24.08321756
_cell_length_c 28.76902516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | 09c3ad2e-9463-487b-afd4-5ac7fa385895 | mp-1191504 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16Fe2S4N2O16
_chemical_formula_sum "Fe4 S8 N4 O32"
_cell_length_a 9.79111944
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-... |
SuperCellAction | 79909197-7874-43fd-89b3-83cf65ecebfa | mp-2647063 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12Ru4Cl12
_chemical_formula_sum "Ru32 Cl96"
_cell_length_a 6.02991438
_cell_length_b 20.969886
_cell_length_c 26.795488039999995
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
... |
SuperCellAction | 502529dd-7d8a-460e-abf8-6be9585986ea | mp-697575 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16
_chemical_formula_sum "Rb64 Zn32 H128"
_cell_length_a 6.00913377
_cell_length_b 32.53639356
_cell_length_c 21.1484056
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 7bc60c43-fc0e-475e-b27d-33d3e681bf74 | mp-1221254 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Na3LiFe4Si8O24
_chemical_formula_sum "Na3 Li1 Fe4 Si8 O24"
_cell_length_a 8.865361
_cell_length_b 5.363603
_cell_length_c 9.595583719999999
_cell_angle_alpha 76.10847183
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Na3LiFe4Si8O24Na3LiFe4Si8O24Na3LiFe4Si8O24Na3LiFe4Si8O24Na3LiFe4Si8O24Na3LiFe4Si8O24Na3LiFe4Si8O24Na3LiFe4Si8O24
_chemical_formula_sum "Na24 Li8 Fe32 Si64 O192"
_cell_length_a 17.730722
_cell_length_b 10.727206
_cell_length_c 19.1911674399999... |
SuperCellAction | 03c2acb0-88ac-449a-91ae-bbde8d2d715c | mp-1518063 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural SrCeEuNiO6
_chemical_formula_sum "Sr1 Ce1 Eu1 Ni1 O6"
_cell_length_a 5.75872947
_cell_length_b 5.75872947
_cell_length_c 5.75872947
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCeEuNiO6SrCeEuNiO6SrCeEuNiO6
_chemical_formula_sum "Sr3 Ce3 Eu3 Ni3 O18"
_cell_length_a 5.75872947
_cell_length_b 17.27618841
_cell_length_c 5.75872947
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | 2454c133-2a35-49ba-bfb4-80e216efb963 | mp-18672 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10Cs2Dy4Cu6Se10Cs2Dy4Cu6Se10Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs8 Dy16 Cu24 Se40"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 69.72498
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | c15ebea7-ae0d-4020-a6ab-c58c118d4bf5 | mp-1099676 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba32 Sr32 Co8 Cu56 O192"
_cell_length_a 31.66664876
_cell_length_b 7.91666219
_cell_length_c 15.84180492
_... |
SuperCellAction | 54c72c67-2d30-42c3-bd9d-e98fc933d7c1 | mp-674849 | Create a supercell with the size 1X2X4. | 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 Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8Tl2Bi2F8
_chemical_formula_sum "Tl16 Bi16 F64"
_cell_length_a 3.70604173
_cell_length_b 16.68434574
_cell_length_c 25.20114968
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
... |
SuperCellAction | ec207181-d849-494c-98b7-ef4af90f9f51 | mp-2231186 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb16 Mg8 Mo16 P16 Cl16 O80"
_cell_length_a 6.67572734
_cell_length_b 13.35145468
_cell_length_c ... |
SuperCellAction | 643aa5e1-bc2a-4430-9b9c-a9d5ec1be4a3 | mp-1188654 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl12W4N4Cl12
_chemical_formula_sum "W8 N8 Cl24"
_cell_length_a 16.24883984
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.7674542700000... |
SuperCellAction | 000afcb3-885c-45dc-846f-77d87c0b3dc7 | mp-1220278 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3CNd4Fe4Co12B3C
_chemical_formula_sum "Nd32 Fe32 Co96 B24 C8"
_cell_length_a 20.47014684
_cell_length_b 5.11753671
_cell_length_c 26.938742
_cell_angle_a... |
SuperCellAction | c5198066-d826-401a-bba5-36b6d0e4c809 | mp-1196561 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Ti42Re50
_chemical_formula_sum "Ti42 Re50"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 14.76805543
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.99928102
_space_group... | data_image0
_chemical_formula_structural Ti42Re50Ti42Re50Ti42Re50
_chemical_formula_sum "Ti126 Re150"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 44.30416629
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.9992... |
SuperCellAction | e1ea951d-6241-4826-b16d-0fc21269ddce | mp-1190979 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8Sc16Ir8Sc16Ir8Sc16Ir8Sc16Ir8Sc16Ir8
_chemical_formula_sum "Sc96 Ir48"
_cell_length_a 8.69136518
_cell_length_b 26.07409116
_cell_length_c 17.38273182
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_a... |
SuperCellAction | e7b81fac-a839-44b5-8315-7464ae981885 | mp-2231797 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural MgFe2Co4O12
_chemical_formula_sum "Mg1 Fe2 Co4 O12"
_cell_length_a 5.00219592
_cell_length_b 5.006155779999999
_cell_length_c 9.93334793
_cell_angle_alpha 82.67082552
_cell_angle_beta 86.75204574000001
_cell_angle_gamma 60.085190819... | data_image0
_chemical_formula_structural MgFe2Co4O12MgFe2Co4O12MgFe2Co4O12MgFe2Co4O12MgFe2Co4O12MgFe2Co4O12MgFe2Co4O12MgFe2Co4O12
_chemical_formula_sum "Mg8 Fe16 Co32 O96"
_cell_length_a 10.00439184
_cell_length_b 5.006155779999999
_cell_length_c 39.73339172
_cell_angle_alpha 82.... |
SuperCellAction | b9a619e6-4d72-450f-8f86-76b77120dd34 | mp-780492 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22Li4VP6H8O22
_chemical_formula_sum "Li16 V4 P24 H32 O88"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 34.03023704
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cel... |
SuperCellAction | a267d469-9248-4cb9-9753-e6e5a7d79fe3 | mp-1217308 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Tl2P6N4O24
_chemical_formula_sum "Tl2 P6 N4 O24"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5506841... | data_image0
_chemical_formula_structural Tl2P6N4O24Tl2P6N4O24Tl2P6N4O24Tl2P6N4O24Tl2P6N4O24Tl2P6N4O24Tl2P6N4O24Tl2P6N4O24
_chemical_formula_sum "Tl16 P48 N32 O192"
_cell_length_a 23.46419988
_cell_length_b 11.73209994
_cell_length_c 46.92839975999999
_cell_angle_alpha 140.1993861... |
SuperCellAction | 610e2581-5629-476d-a0ad-c402815719ff | mp-690554 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Sr5La5CuNi4O20
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.524981... | data_image0
_chemical_formula_structural Sr5La5CuNi4O20Sr5La5CuNi4O20Sr5La5CuNi4O20
_chemical_formula_sum "Sr15 La15 Cu3 Ni12 O60"
_cell_length_a 57.97809354
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999... |
SuperCellAction | 3c3696c5-217a-4628-ab5e-1aafbd87668c | mp-753310 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr3CuO8Li2Cr3CuO8
_chemical_formula_sum "Li4 Cr6 Cu2 O16"
_cell_length_a 11.81737342
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4... |
SuperCellAction | e9ceafed-5019-448e-94ec-1c2b956b6b5a | mp-777904 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16Li4Ti6Cr2O16Li4Ti6Cr2O16Li4Ti6Cr2O16
_chemical_formula_sum "Li16 Ti24 Cr8 O64"
_cell_length_a 5.89554411
_cell_length_b 23.582176439999998
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | b6b2c6b3-ad01-4f13-a7a4-d62fd9f34c3b | mp-1196758 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural K4Cd4B12O24
_chemical_formula_sum "K4 Cd4 B12 O24"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 123.18... | data_image0
_chemical_formula_structural K4Cd4B12O24K4Cd4B12O24K4Cd4B12O24K4Cd4B12O24
_chemical_formula_sum "K16 Cd16 B48 O96"
_cell_length_a 7.56052219
_cell_length_b 30.242088760000005
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.297439... |
SuperCellAction | 5e4ced3f-6a90-43ec-8819-5fa9f37fd02a | mp-1045681 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg48 Sb48 As96 Se48 O336"
_cell_length_a 10.63966254
_cell_length_b 40.586376810000004
_cell_length_c 27.04943634
_cell_an... |
SuperCellAction | 2ef2cbe5-1548-44a5-a342-cf11c8ead4ed | mp-1176929 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58Li12V6P16O58
_chemical_formula_sum "Li96 V48 P128 O464"
_cell_length_a 19.58696922
_cell_length_b 19.59163832
_cell_length_c 28.13152898
_cell_angle_alpha ... |
SuperCellAction | 9719e0be-fa64-4573-8385-b9410f5f01c7 | mp-31180 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2Dy2Al8Ni2Dy2Al8Ni2
_chemical_formula_sum "Dy6 Al24 Ni6"
_cell_length_a 4.04611252
_cell_length_b 19.64872866
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | c1c3fc88-2616-44e6-9e3f-88054f112049 | mp-510056 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12CaV4Cu3O12
_chemical_formula_sum "Ca4 V16 Cu12 O48"
_cell_length_a 25.66403236
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_g... |
SuperCellAction | b3de932a-4481-4041-95af-3b71c48a04bd | mp-774255 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural K6Cr2P2C2O14
_chemical_formula_sum "K6 Cr2 P2 C2 O14"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_spac... | data_image0
_chemical_formula_structural K6Cr2P2C2O14K6Cr2P2C2O14K6Cr2P2C2O14K6Cr2P2C2O14
_chemical_formula_sum "K24 Cr8 P8 C8 O56"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 22.932980479999998
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_... |
SuperCellAction | d8c44c24-9dff-4a03-8aa8-cfef6b4b39af | mp-11609 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4Sb2Mo4S4
_chemical_formula_sum "Sb8 Mo16 S16"
_cell_length_a 6.40695126
_cell_length_b 13.11556732
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 9694fd64-e926-414b-b071-b9bdef43506a | mp-680722 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural As4Pb28Cl8O34
_chemical_formula_sum "As4 Pb28 Cl8 O34"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000002
... | data_image0
_chemical_formula_structural As4Pb28Cl8O34As4Pb28Cl8O34As4Pb28Cl8O34As4Pb28Cl8O34As4Pb28Cl8O34As4Pb28Cl8O34
_chemical_formula_sum "As24 Pb168 Cl48 O204"
_cell_length_a 39.57051249
_cell_length_b 13.19017083
_cell_length_c 23.0071625
_cell_angle_alpha 76.55109875
_cell... |
SuperCellAction | 1e0d9403-d6dc-4467-8ac6-e08ea937db5e | mp-10834 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8Rb2Nd4Cu2S8Rb2Nd4Cu2S8Rb2Nd4Cu2S8Rb2Nd4Cu2S8Rb2Nd4Cu2S8Rb2Nd4Cu2S8Rb2Nd4Cu2S8
_chemical_formula_sum "Rb16 Nd32 Cu16 S64"
_cell_length_a 14.69548522
_cell_length_b 14.69548522
_cell_length_c 28.06707386
_cell_angle_alpha 90.0
_ce... |
SuperCellAction | c27a006f-7d58-47d7-aceb-c6b37c7f89c4 | mp-849436 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16Na4Fe8O16Na4Fe8O16
_chemical_formula_sum "Na12 Fe24 O48"
_cell_length_a 14.629914150000001
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma... |
SuperCellAction | 16c88dae-7c70-4f10-bc0e-cd49ee1f3a3e | mp-1306534 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... | data_image0
_chemical_formula_structural V2Cr4O8V2Cr4O8V2Cr4O8V2Cr4O8V2Cr4O8V2Cr4O8
_chemical_formula_sum "V12 Cr24 O48"
_cell_length_a 6.07895869
_cell_length_b 18.25139613
_cell_length_c 12.2540923
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cel... |
SuperCellAction | 12649823-62fa-421c-ac5b-af9323cff38c | mp-1106190 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Er4Ga12NiEr4Ga12NiEr4Ga12NiEr4Ga12Ni
_chemical_formula_sum "Er16 Ga48 Ni4"
_cell_length_a 7.31613481
_cell_length_b 29.26453924
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma ... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.