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 |
|---|---|---|---|---|---|
InsertBetweenAtomsAction | 7bb9d8af-64d4-4cb1-bbd3-29d3174df083 | mp-3346792 | Insert a Si atom in the line between atoms at indices 14 and 20, and the inserted atom must be 4.04 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural H6C6N6O6
_chemical_formula_sum "H6 C6 N6 O6"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_group_na... | data_image0
_chemical_formula_structural H6C6N6O6Si
_chemical_formula_sum "H6 C6 N6 O6 Si1"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_gr... |
InsertBetweenAtomsAction | 79b3520c-33a1-42de-a1ca-03fcb4b4b7c0 | mp-1336298 | Insert a Er atom in the line between atoms at indices 24 and 11, and the inserted atom must be 3.28 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Er
_chemical_formula_sum "Al8 Hg20 Se32 Er1"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_gr... |
InsertBetweenAtomsAction | 2c3efad1-73ca-4129-8455-f28a021c8300 | mp-1310084 | Insert a Rf atom in the line between atoms at indices 4 and 0, and the inserted atom must be 0.65 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6Rf
_chemical_formula_sum "Co4 O2 F6 Rf1"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_spa... |
InsertBetweenAtomsAction | cc987186-c849-481c-b748-6ec2a11ddbf6 | mp-1076076 | Insert a U atom in the line between atoms at indices 24 and 20, and the inserted atom must be 0.91 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural La7SmCo6Cu2O24
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_group_nam... | data_image0
_chemical_formula_structural La7SmCo6Cu2O24U
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24 U1"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_group... |
InsertBetweenAtomsAction | 9199c8ba-c6cc-4669-b31f-f9d19f371e62 | mp-690607 | Insert a Ni atom in the line between atoms at indices 13 and 17, and the inserted atom must be 0.67 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural K2BaNiN6O12
_chemical_formula_sum "K2 Ba1 Ni1 N6 O12"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.35471982000001... | data_image0
_chemical_formula_structural K2BaNiN6O12Ni
_chemical_formula_sum "K2 Ba1 Ni2 N6 O12"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.354719820000... |
InsertBetweenAtomsAction | 02baf4c0-68b6-4b67-af21-94ca92d27b88 | mp-1111315 | Insert a Fm atom in the line between atoms at indices 4 and 7, and the inserted atom must be 2.71 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na2TiAgF6
_chemical_formula_sum "Na2 Ti1 Ag1 F6"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Na2TiAgF6Fm
_chemical_formula_sum "Na2 Ti1 Ag1 F6 Fm1"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | eee56a13-0c79-4840-849d-f9b41bf2335b | mp-559270 | Insert a Tb atom in the line between atoms at indices 2 and 9, and the inserted atom must be 2.96 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2
_chemical_formula_sum "Rb2 Ba8 Sb6 O2"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_space_g... | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2Tb
_chemical_formula_sum "Rb2 Ba8 Sb6 O2 Tb1"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_s... |
InsertBetweenAtomsAction | d6714593-b09f-423a-845d-c2f120326a59 | mp-541574 | Insert a Ir atom in the line between atoms at indices 28 and 0, and the inserted atom must be 0.44 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 Ba4Y8Co4O20Ir
_chemical_formula_sum "Ba4 Y8 Co4 O20 Ir1"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | fd894807-1ecf-4b01-837c-9dce0f612b9c | mp-1336298 | Insert a Fe atom in the line between atoms at indices 49 and 11, and the inserted atom must be 2.53 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Fe
_chemical_formula_sum "Al8 Hg20 Se32 Fe1"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_gr... |
InsertBetweenAtomsAction | dd351da3-4ebc-4c02-929b-cf557cd0b5d8 | mp-1103066 | Insert a Pm atom in the line between atoms at indices 2 and 7, and the inserted atom must be 2.09 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4Si4Pd4Pm
_chemical_formula_sum "Sm4 Si4 Pd4 Pm1"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | afe09907-12fe-4217-91c1-3bd15ffd1ad5 | mp-1205450 | Insert a Cf atom in the line between atoms at indices 7 and 19, and the inserted atom must be 1.61 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pu8Se12Cf
_chemical_formula_sum "Pu8 Se12 Cf1"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 15a155ca-41d6-4dee-9123-de4bcf396e6f | mp-1197288 | Insert a Se atom in the line between atoms at indices 33 and 32, and the inserted atom must be 1.45 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Cs4Se12O36
_chemical_formula_sum "Cs4 Se12 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs4Se12O36Se
_chemical_formula_sum "Cs4 Se13 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c0571f96-e733-4e35-8550-1fce44b84bb4 | mp-23977 | Insert a Nb atom in the line between atoms at indices 35 and 31, and the inserted atom must be 0.53 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H4S28N4Nb
_chemical_formula_sum "H4 S28 N4 Nb1"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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... |
InsertBetweenAtomsAction | 19e1d4da-ef59-40b3-977f-1101bd3a6602 | mp-1204342 | Insert a Cd atom in the line between atoms at indices 51 and 50, and the inserted atom must be 2.27 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Cd
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32 Cd1"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
InsertBetweenAtomsAction | d17f1259-dbf2-4f64-9734-685219155ed7 | mp-29082 | Insert a I atom in the line between atoms at indices 3 and 12, and the inserted atom must be 3.74 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba10Cr2N10I
_chemical_formula_sum "Ba10 Cr2 N10 I1"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.077904359... |
InsertBetweenAtomsAction | aa2c3b7b-312a-4fea-8bfd-c09b151d6cd2 | mp-1522139 | Insert a La atom in the line between atoms at indices 3 and 2, and the inserted atom must be 2.75 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6La
_chemical_formula_sum "Ca2 Hf1 Zr1 O6 La1"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | a76a3335-32d8-49aa-b1ba-be457823b8a6 | mp-776358 | Insert a H atom in the line between atoms at indices 5 and 33, and the inserted atom must be 9.68 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32H
_chemical_formula_sum "Li8 Mn4 C8 S2 O32 H1"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.45... |
InsertBetweenAtomsAction | 73f6941d-af13-4e98-8958-878b56b5e683 | mp-650023 | Insert a Es atom in the line between atoms at indices 23 and 12, and the inserted atom must be 2.44 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural K4Pd2C8S8N8
_chemical_formula_sum "K4 Pd2 C8 S8 N8"
_cell_length_a 13.222705
_cell_length_b 4.364295
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.84034383999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K4Pd2C8S8N8Es
_chemical_formula_sum "K4 Pd2 C8 S8 N8 Es1"
_cell_length_a 13.222705
_cell_length_b 4.364295
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.84034383999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | e0f15df4-c7f1-456a-9708-24fb9ccce93b | mp-1198968 | Insert a Yb atom in the line between atoms at indices 15 and 25, and the inserted atom must be 2.10 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Be8P8Pb4O32
_chemical_formula_sum "Be8 P8 Pb4 O32"
_cell_length_a 9.12496
_cell_length_b 8.178792
_cell_length_c 8.49386858
_cell_angle_alpha 89.89024316000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be8P8Pb4O32Yb
_chemical_formula_sum "Be8 P8 Pb4 O32 Yb1"
_cell_length_a 9.12496
_cell_length_b 8.178792
_cell_length_c 8.49386858
_cell_angle_alpha 89.89024316000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 91f1e9db-ba9a-4e86-be0d-97c3de7dca60 | mp-1111072 | Insert a S atom in the line between atoms at indices 6 and 8, and the inserted atom must be 0.83 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li3MnF6
_chemical_formula_sum "Li3 Mn1 F6"
_cell_length_a 5.489198
_cell_length_b 5.48919807
_cell_length_c 5.489197679999999
_cell_angle_alpha 59.99999793999999
_cell_angle_beta 59.99999808999998
_cell_angle_gamma 60.00000045
_spa... | data_image0
_chemical_formula_structural Li3MnF6S
_chemical_formula_sum "Li3 Mn1 F6 S1"
_cell_length_a 5.489198
_cell_length_b 5.48919807
_cell_length_c 5.489197679999999
_cell_angle_alpha 59.99999793999999
_cell_angle_beta 59.99999808999998
_cell_angle_gamma 60.00000045
... |
InsertBetweenAtomsAction | 2421e9c3-71d8-4bf4-a53c-e9be49d18953 | mp-1176871 | Insert a Sr atom in the line between atoms at indices 59 and 84, and the inserted atom must be 6.94 angstrom from atom at 59 in the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58Sr
_chemical_formula_sum "Li14 V6 P16 O58 Sr1"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.949112869... |
InsertBetweenAtomsAction | 8305ed91-6199-44f4-9d18-8240d4d2e5eb | mp-759128 | Insert a Cl atom in the line between atoms at indices 2 and 24, and the inserted atom must be 1.79 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li6Sb4P6O24
_chemical_formula_sum "Li6 Sb4 P6 O24"
_cell_length_a 8.8375326
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gamma 63.30265871999998
_space_gr... | data_image0
_chemical_formula_structural Li6Sb4P6O24Cl
_chemical_formula_sum "Li6 Sb4 P6 O24 Cl1"
_cell_length_a 8.8375326
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gamma 63.30265871999998
_sp... |
InsertBetweenAtomsAction | 9d89dbb1-b985-436b-8f34-2d3e3f3acbd0 | mp-559041 | Insert a Hg atom in the line between atoms at indices 14 and 22, and the inserted atom must be 4.14 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4Hg
_chemical_formula_sum "Tl2 Mo4 Cl14 O4 Hg1"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_spac... |
InsertBetweenAtomsAction | dd138df2-6fb7-46c7-8159-c65b53a7a6e2 | mp-18245 | Insert a Na atom in the line between atoms at indices 5 and 20, and the inserted atom must be 1.99 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 Na4Co4P4O16Na
_chemical_formula_sum "Na5 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 563e1805-3c60-4fe7-a291-85177d1d96c3 | mp-1207451 | Insert a Ba atom in the line between atoms at indices 40 and 20, and the inserted atom must be 3.88 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Zn4Cu8B8O24
_chemical_formula_sum "Zn4 Cu8 B8 O24"
_cell_length_a 14.932995
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Zn4Cu8B8O24Ba
_chemical_formula_sum "Zn4 Cu8 B8 O24 Ba1"
_cell_length_a 14.932995
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 0be2e3f2-8656-4140-8f10-2bf4e8d08386 | mp-1176457 | Insert a Cl atom in the line between atoms at indices 9 and 2, and the inserted atom must be 1.95 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10Cl
_chemical_formula_sum "Mn6 O2 F10 Cl1"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_nam... |
InsertBetweenAtomsAction | 5309822d-20ce-4f6d-8bc7-0615ecf8f1a6 | mp-1209764 | Insert a Rh atom in the line between atoms at indices 0 and 15, and the inserted atom must be 0.55 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12
_chemical_formula_sum "Pr4 Ni2 Pt2 O12"
_cell_length_a 5.805015
_cell_length_b 5.516006
_cell_length_c 9.629747
_cell_angle_alpha 54.99066571
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12Rh
_chemical_formula_sum "Pr4 Ni2 Pt2 O12 Rh1"
_cell_length_a 5.805015
_cell_length_b 5.516006
_cell_length_c 9.629747
_cell_angle_alpha 54.99066571
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 0b5beea0-9dfb-4c74-ac95-a2498125bc9e | mp-763429 | Insert a Pb atom in the line between atoms at indices 6 and 8, and the inserted atom must be 1.72 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural LiFeCo2O6
_chemical_formula_sum "Li1 Fe1 Co2 O6"
_cell_length_a 6.54234775
_cell_length_b 2.88058675
_cell_length_c 5.941892660000001
_cell_angle_alpha 89.98781491000001
_cell_angle_beta 104.92589905999999
_cell_angle_gamma 77.28999... | data_image0
_chemical_formula_structural LiFeCo2O6Pb
_chemical_formula_sum "Li1 Fe1 Co2 O6 Pb1"
_cell_length_a 6.54234775
_cell_length_b 2.88058675
_cell_length_c 5.941892660000001
_cell_angle_alpha 89.98781491000001
_cell_angle_beta 104.92589905999999
_cell_angle_gamma 77... |
InsertBetweenAtomsAction | 9c0f30d3-04cd-42d4-b144-195381c39235 | mp-17335 | Insert a La atom in the line between atoms at indices 20 and 4, and the inserted atom must be 3.55 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Er2Ag2W4O16
_chemical_formula_sum "Er2 Ag2 W4 O16"
_cell_length_a 7.3780097
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamma 94.60728295
_space_group_name... | data_image0
_chemical_formula_structural Er2Ag2W4O16La
_chemical_formula_sum "Er2 Ag2 W4 O16 La1"
_cell_length_a 7.3780097
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamma 94.60728295
_space_grou... |
InsertBetweenAtomsAction | 07ead854-3a89-4526-9984-968cc5fe30bb | mp-768152 | Insert a Se atom in the line between atoms at indices 13 and 2, and the inserted atom must be 1.09 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Na2Zr2P2C2O14
_chemical_formula_sum "Na2 Zr2 P2 C2 O14"
_cell_length_a 6.683711
_cell_length_b 5.793755
_cell_length_c 9.35326136
_cell_angle_alpha 87.59197392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Zr2P2C2O14Se
_chemical_formula_sum "Na2 Zr2 P2 C2 O14 Se1"
_cell_length_a 6.683711
_cell_length_b 5.793755
_cell_length_c 9.35326136
_cell_angle_alpha 87.59197392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 3d69674c-3ebe-4cd9-9424-c0e7d259baad | mp-569862 | Insert a Ac atom in the line between atoms at indices 25 and 7, and the inserted atom must be 2.02 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Ac
_chemical_formula_sum "Rb8 P4 Se18 Ac1"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7... |
InsertBetweenAtomsAction | 57b424b3-a448-41dc-9f6c-37fe2ae42101 | mp-774323 | Insert a Au atom in the line between atoms at indices 12 and 2, and the inserted atom must be 2.81 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P8O28Au
_chemical_formula_sum "Li4 Mn1 V3 P8 O28 Au1"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998... |
InsertBetweenAtomsAction | 6d16295a-018e-44cd-a26f-d1c39b5bd2a5 | mp-766529 | Insert a Pr atom in the line between atoms at indices 18 and 6, and the inserted atom must be 0.58 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_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 Li4Fe4Si4O16Pr
_chemical_formula_sum "Li4 Fe4 Si4 O16 Pr1"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 6667dd2c-2d45-429a-ae49-ddc989afd453 | mp-2228376 | Insert a Th atom in the line between atoms at indices 1 and 13, and the inserted atom must be 1.57 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgMnSb4O12
_chemical_formula_sum "Mg1 Mn1 Sb4 O12"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 9.63359379
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_cell_angle_gamma 57.964617460... | data_image0
_chemical_formula_structural MgMnSb4O12Th
_chemical_formula_sum "Mg1 Mn1 Sb4 O12 Th1"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 9.63359379
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_cell_angle_gamma 57.964... |
InsertBetweenAtomsAction | 838f9181-8de0-4cda-9468-797b0c16c07c | mp-1105068 | Insert a Mn atom in the line between atoms at indices 2 and 12, and the inserted atom must be 1.55 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7Mn
_chemical_formula_sum "Ba1 Y1 Fe4 O7 Mn1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_s... |
InsertBetweenAtomsAction | 0c727c85-a928-438a-8207-0ae3371b4b42 | mp-705430 | Insert a Sm atom in the line between atoms at indices 39 and 51, and the inserted atom must be 2.73 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Mn24O48
_chemical_formula_sum "Mn24 O48"
_cell_length_a 5.84821856
_cell_length_b 5.84821856
_cell_length_c 28.638432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn24O48Sm
_chemical_formula_sum "Mn24 O48 Sm1"
_cell_length_a 5.84821856
_cell_length_b 5.84821856
_cell_length_c 28.638432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 730d36a0-e8eb-4423-998d-e7794720724e | mp-1097054 | Insert a H atom in the line between atoms at indices 13 and 19, and the inserted atom must be 1.17 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 K4Ce8Fe4O24H
_chemical_formula_sum "K4 Ce8 Fe4 O24 H1"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | bc840850-04a8-423a-b527-89ddf09fb996 | mp-1233358 | Insert a Rb atom in the line between atoms at indices 11 and 6, and the inserted atom must be 1.21 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11FRb
_chemical_formula_sum "Ca1 V6 O11 F1 Rb1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_sp... |
InsertBetweenAtomsAction | ee2d26ff-da83-499e-995d-d44550d84415 | mp-760314 | Insert a Te atom in the line between atoms at indices 19 and 15, and the inserted atom must be 1.92 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19Te
_chemical_formula_sum "V6 O5 F19 Te1"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_spa... |
InsertBetweenAtomsAction | 837b46db-060f-4ae7-9fd0-f98f22c9b4c5 | mp-606949 | Insert a Ge atom in the line between atoms at indices 0 and 4, and the inserted atom must be 1.77 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C12Ge
_chemical_formula_sum "C12 Ge1"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 6e748f70-5903-499c-96ec-aaa375b4e2f6 | mp-759863 | Insert a Fl atom in the line between atoms at indices 8 and 4, and the inserted atom must be 0.35 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6Fl
_chemical_formula_sum "Na4 V2 O6 Fl1"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_gro... |
InsertBetweenAtomsAction | 5581cf84-3558-47f3-81c5-0a8951615ec1 | mp-850249 | Insert a Mt atom in the line between atoms at indices 6 and 3, and the inserted atom must be 1.05 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... | data_image0
_chemical_formula_structural Fe8S10Mt
_chemical_formula_sum "Fe8 S10 Mt1"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space... |
InsertBetweenAtomsAction | 5cf8a273-88e0-4b5e-9fab-7ccf93dc9035 | mp-864652 | Insert a Nd atom in the line between atoms at indices 0 and 3, and the inserted atom must be 2.96 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Al2S14
_chemical_formula_sum "Nd6 Mn2 Al2 S14"
_cell_length_a 10.00314552
_cell_length_b 10.00314552
_cell_length_c 6.111433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999682999999
_space_group_name_... | data_image0
_chemical_formula_structural Nd6Mn2Al2S14Nd
_chemical_formula_sum "Nd7 Mn2 Al2 S14"
_cell_length_a 10.00314552
_cell_length_b 10.00314552
_cell_length_c 6.111433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999682999999
_space_group_nam... |
InsertBetweenAtomsAction | 51f05878-a0e3-45fb-a8b6-9ff35686a728 | mp-1194542 | Insert a Xe atom in the line between atoms at indices 11 and 1, and the inserted atom must be 3.98 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ce4Al32Co8
_chemical_formula_sum "Ce4 Al32 Co8"
_cell_length_a 3.98553243
_cell_length_b 12.34172752
_cell_length_c 14.25046222
_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 Ce4Al32Co8Xe
_chemical_formula_sum "Ce4 Al32 Co8 Xe1"
_cell_length_a 3.98553243
_cell_length_b 12.34172752
_cell_length_c 14.25046222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 5d25b050-aa46-4a88-8fcf-0cab34307de4 | mp-1073136 | Insert a Ho atom in the line between atoms at indices 0 and 1, and the inserted atom must be 6.21 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6Ho
_chemical_formula_sum "Mg4 Si6 Ho1"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M... |
InsertBetweenAtomsAction | 2fa50a87-b3f9-42d6-8fdd-ae4b44fdab75 | mp-1179984 | Insert a Db atom in the line between atoms at indices 9 and 6, and the inserted atom must be 1.22 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8Db
_chemical_formula_sum "Pt4 Br12 N8 Db1"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001... |
InsertBetweenAtomsAction | 5c78888a-5eeb-4078-9ec2-1fa83da1b0b7 | mp-655140 | Insert a Te atom in the line between atoms at indices 7 and 13, and the inserted atom must be 6.74 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mn4Ag4O16
_chemical_formula_sum "Mn4 Ag4 O16"
_cell_length_a 9.420549
_cell_length_b 6.103708
_cell_length_c 8.35696319
_cell_angle_alpha 52.25614115
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4Ag4O16Te
_chemical_formula_sum "Mn4 Ag4 O16 Te1"
_cell_length_a 9.420549
_cell_length_b 6.103708
_cell_length_c 8.35696319
_cell_angle_alpha 52.25614115
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 8e17654e-6c72-4f25-83a7-f8978434ad44 | mp-768416 | Insert a Po atom in the line between atoms at indices 47 and 55, and the inserted atom must be 8.60 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Ba8Y8Br40
_chemical_formula_sum "Ba8 Y8 Br40"
_cell_length_a 9.873755
_cell_length_b 14.535612
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba8Y8Br40Po
_chemical_formula_sum "Ba8 Y8 Br40 Po1"
_cell_length_a 9.873755
_cell_length_b 14.535612
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 209c8130-3091-479a-9a18-27388b3ce7ff | mp-1074233 | Insert a Y atom in the line between atoms at indices 14 and 12, and the inserted atom must be 2.08 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg8Si14
_chemical_formula_sum "Mg8 Si14"
_cell_length_a 3.950515
_cell_length_b 6.859053
_cell_length_c 14.93747589
_cell_angle_alpha 77.51700546
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg8Si14Y
_chemical_formula_sum "Mg8 Si14 Y1"
_cell_length_a 3.950515
_cell_length_b 6.859053
_cell_length_c 14.93747589
_cell_angle_alpha 77.51700546
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 682d489e-acea-4f7d-a789-960705ca7cbb | mp-772788 | Insert a Fm atom in the line between atoms at indices 29 and 12, and the inserted atom must be 0.45 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_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 Ba8Cu8O20Fm
_chemical_formula_sum "Ba8 Cu8 O20 Fm1"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 84fc3238-8939-4e24-8009-b01f73569968 | mp-1195832 | Insert a F atom in the line between atoms at indices 16 and 39, and the inserted atom must be 0.92 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Si2H24N8F8
_chemical_formula_sum "Si2 H24 N8 F8"
_cell_length_a 5.4604596
_cell_length_b 5.4604596
_cell_length_c 13.679973
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01468179
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Si2H24N8F9
_chemical_formula_sum "Si2 H24 N8 F9"
_cell_length_a 5.4604596
_cell_length_b 5.4604596
_cell_length_c 13.679973
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01468179
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 3f1dacf5-b4f5-498b-9abb-0d163baceb9c | mp-569606 | Insert a S atom in the line between atoms at indices 11 and 12, and the inserted atom must be 4.96 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10S
_chemical_formula_sum "Nd6 Mn2 Bi10 S1"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M... |
InsertBetweenAtomsAction | 81c3801d-b646-4cb0-8ed4-636b16ded42e | mp-997504 | Insert a Kr atom in the line between atoms at indices 16 and 7, and the inserted atom must be 1.82 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10Kr
_chemical_formula_sum "Cu6 O2 F10 Kr1"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
... |
InsertBetweenAtomsAction | 6f5922d2-5056-4db7-9a34-bfaa9039015a | mp-1202419 | Insert a Ac atom in the line between atoms at indices 13 and 42, and the inserted atom must be 8.43 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26Ac
_chemical_formula_sum "Ca2 Re4 C10 N20 O26 Ac1"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1... |
InsertBetweenAtomsAction | 6a1a920b-8b03-44f6-88b3-03267ccc05ef | mp-1217519 | Insert a Ce atom in the line between atoms at indices 6 and 0, and the inserted atom must be 1.68 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Ce
_chemical_formula_sum "Th2 V4 Pb2 O16 Ce1"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_... |
InsertBetweenAtomsAction | adb95fb5-183f-45f0-a32e-bb067104f296 | mp-764512 | Insert a Db atom in the line between atoms at indices 23 and 3, and the inserted atom must be 7.78 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24Db
_chemical_formula_sum "Li5 Fe8 B8 O24 Db1"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
... |
InsertBetweenAtomsAction | 582dca87-9bc5-4bd4-a7b3-b724c9e5e660 | mp-1190970 | Insert a Sr atom in the line between atoms at indices 17 and 10, and the inserted atom must be 5.46 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14Sr
_chemical_formula_sum "Dy6 Re2 B14 Sr1"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2d975028-a7ae-40b3-9c61-fa4daa265726 | mp-752981 | Insert a Md atom in the line between atoms at indices 14 and 4, and the inserted atom must be 0.74 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li3Fe2Ni3O10
_chemical_formula_sum "Li3 Fe2 Ni3 O10"
_cell_length_a 5.048014
_cell_length_b 5.06923991
_cell_length_c 7.69817601
_cell_angle_alpha 71.25298105
_cell_angle_beta 70.93406166
_cell_angle_gamma 79.69884346
_space_group_... | data_image0
_chemical_formula_structural Li3Fe2Ni3O10Md
_chemical_formula_sum "Li3 Fe2 Ni3 O10 Md1"
_cell_length_a 5.048014
_cell_length_b 5.06923991
_cell_length_c 7.69817601
_cell_angle_alpha 71.25298105
_cell_angle_beta 70.93406166
_cell_angle_gamma 79.69884346
_space_... |
InsertBetweenAtomsAction | 588d1a4d-1b87-4c5d-bc11-3a8f6a7501fe | mp-1035975 | Insert a Cl atom in the line between atoms at indices 6 and 13, and the inserted atom must be 4.88 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16Cl
_chemical_formula_sum "Y1 Mg14 Sn1 O16 Cl1"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | fc808f6c-b91b-4ef9-a84a-8fbb7d65cc88 | mp-1245016 | Insert a Rn atom in the line between atoms at indices 41 and 51, and the inserted atom must be 2.56 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O48Rn
_chemical_formula_sum "Cr24 Fe8 O48 Rn1"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_sp... |
InsertBetweenAtomsAction | 140c1437-0bba-40ce-99f9-7bab2e46c5ce | mp-762067 | Insert a H atom in the line between atoms at indices 28 and 40, and the inserted atom must be 4.52 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O32"
_cell_length_a 6.0189181
_cell_length_b 10.36298234
_cell_length_c 10.54535638
_cell_angle_alpha 89.79099985000002
_cell_angle_beta 89.60494715999998
_cell_angle_gamma 89.758... | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32H
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O32 H1"
_cell_length_a 6.0189181
_cell_length_b 10.36298234
_cell_length_c 10.54535638
_cell_angle_alpha 89.79099985000002
_cell_angle_beta 89.60494715999998
_cell_angle_gamma 89... |
InsertBetweenAtomsAction | 68f3bfe6-e40c-4d3d-92ae-f95c09055397 | mp-1175286 | Insert a Nh atom in the line between atoms at indices 11 and 15, and the inserted atom must be 3.22 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 3.011831
_cell_length_b 7.836913590000001
_cell_length_c 10.1632771
_cell_angle_alpha 111.10427026
_cell_angle_beta 91.87023879000002
_cell_angle_gamma 96.3936555499... | data_image0
_chemical_formula_structural Li7Mn4CoO12Nh
_chemical_formula_sum "Li7 Mn4 Co1 O12 Nh1"
_cell_length_a 3.011831
_cell_length_b 7.836913590000001
_cell_length_c 10.1632771
_cell_angle_alpha 111.10427026
_cell_angle_beta 91.87023879000002
_cell_angle_gamma 96.3936... |
InsertBetweenAtomsAction | 069b88f7-7280-4ab9-8ef4-a59f2743a078 | mp-768283 | Insert a H atom in the line between atoms at indices 24 and 2, and the inserted atom must be 2.22 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural U2As4H12O22
_chemical_formula_sum "U2 As4 H12 O22"
_cell_length_a 8.08597326
_cell_length_b 8.08597326
_cell_length_c 9.104081889999998
_cell_angle_alpha 62.303679679999995
_cell_angle_beta 62.303679679999995
_cell_angle_gamma 68.58... | data_image0
_chemical_formula_structural U2As4H12O22H
_chemical_formula_sum "U2 As4 H13 O22"
_cell_length_a 8.08597326
_cell_length_b 8.08597326
_cell_length_c 9.104081889999998
_cell_angle_alpha 62.303679679999995
_cell_angle_beta 62.303679679999995
_cell_angle_gamma 68.5... |
InsertBetweenAtomsAction | 24eb9ec7-f73f-4e6f-8df7-d144d476c636 | mp-774074 | Insert a Bh atom in the line between atoms at indices 16 and 3, and the inserted atom must be 5.44 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Na4Sb8O22
_chemical_formula_sum "Na4 Sb8 O22"
_cell_length_a 10.5889115
_cell_length_b 10.5889115
_cell_length_c 7.26848624
_cell_angle_alpha 85.04279527
_cell_angle_beta 85.04279527
_cell_angle_gamma 42.32207167000001
_space_group... | data_image0
_chemical_formula_structural Na4Sb8O22Bh
_chemical_formula_sum "Na4 Sb8 O22 Bh1"
_cell_length_a 10.5889115
_cell_length_b 10.5889115
_cell_length_c 7.26848624
_cell_angle_alpha 85.04279527
_cell_angle_beta 85.04279527
_cell_angle_gamma 42.32207167000001
_space... |
InsertBetweenAtomsAction | be1fe1b1-2004-45b4-b4ca-caf67c4c3319 | mp-773086 | Insert a Ni atom in the line between atoms at indices 1 and 24, and the inserted atom must be 0.34 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.24481563
_cell_length_b 10.52200863
_cell_length_c 6.244511720000001
_cell_angle_alpha 72.82187626
_cell_angle_beta 60.02867977
_cell_angle_gamma 72.82830686
_sp... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16Ni
_chemical_formula_sum "Li8 Mn6 Sb2 O16 Ni1"
_cell_length_a 6.24481563
_cell_length_b 10.52200863
_cell_length_c 6.244511720000001
_cell_angle_alpha 72.82187626
_cell_angle_beta 60.02867977
_cell_angle_gamma 72.8283068... |
InsertBetweenAtomsAction | ae2bae54-e9ad-48aa-b2b9-6e45e62f5e76 | mp-1036083 | Insert a Sr atom in the line between atoms at indices 6 and 25, and the inserted atom must be 3.95 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg14MnBO16
_chemical_formula_sum "Mg14 Mn1 B1 O16"
_cell_length_a 8.533673
_cell_length_b 8.533673
_cell_length_c 4.249207
_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 Mg14MnBO16Sr
_chemical_formula_sum "Mg14 Mn1 B1 O16 Sr1"
_cell_length_a 8.533673
_cell_length_b 8.533673
_cell_length_c 4.249207
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | e9f6ec32-8c0b-491f-8e58-32825d374a4c | mp-780696 | Insert a Nh atom in the line between atoms at indices 8 and 6, and the inserted atom must be 4.10 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20Nh
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20 Nh1"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
... |
InsertBetweenAtomsAction | 22a4a8b3-c3e8-411d-82f6-fe25011bdecb | mp-559286 | Insert a Ga atom in the line between atoms at indices 30 and 4, and the inserted atom must be 2.35 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24Ga
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24 Ga1"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 132f32a6-64a6-4531-b2f9-a736bdb39688 | mp-753161 | Insert a Kr atom in the line between atoms at indices 18 and 1, and the inserted atom must be 1.61 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8Kr
_chemical_formula_sum "Li8 V4 O8 F8 Kr1"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_s... |
InsertBetweenAtomsAction | 74257736-e6c8-4c1f-be1a-164bc97c9257 | mp-672986 | Insert a Mo atom in the line between atoms at indices 10 and 5, and the inserted atom must be 1.05 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Sn4P4O16
_chemical_formula_sum "Sn4 P4 O16"
_cell_length_a 10.399244
_cell_length_b 5.726796
_cell_length_c 8.710093159999998
_cell_angle_alpha 52.21135899999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sn4P4O16Mo
_chemical_formula_sum "Sn4 P4 O16 Mo1"
_cell_length_a 10.399244
_cell_length_b 5.726796
_cell_length_c 8.710093159999998
_cell_angle_alpha 52.21135899999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 9af5e917-4b7d-4b5a-9ca9-a0d39fd200ef | mp-756638 | Insert a Mc atom in the line between atoms at indices 7 and 5, and the inserted atom must be 1.58 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8Mc
_chemical_formula_sum "Nb2 Rh2 O8 Mc1"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.2475254899... |
InsertBetweenAtomsAction | 5c4ce7d9-e241-4dc2-ad32-048d17a06e35 | mp-1073590 | Insert a Fr atom in the line between atoms at indices 23 and 14, and the inserted atom must be 5.17 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Mg8Si16
_chemical_formula_sum "Mg8 Si16"
_cell_length_a 6.315551
_cell_length_b 6.498333819999999
_cell_length_c 11.109406969999998
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_angle_gamma 88.95451084... | data_image0
_chemical_formula_structural Mg8Si16Fr
_chemical_formula_sum "Mg8 Si16 Fr1"
_cell_length_a 6.315551
_cell_length_b 6.498333819999999
_cell_length_c 11.109406969999998
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_angle_gamma 88.95... |
InsertBetweenAtomsAction | e0055e42-7435-4301-9800-113c08ebfcc4 | mp-1179444 | Insert a Ac atom in the line between atoms at indices 19 and 31, and the inserted atom must be 1.07 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_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 Re4C4S4N8Cl12O8Ac
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8 Ac1"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 042ebef0-1c26-4bd5-8680-f72a18636238 | mp-1223166 | Insert a Gd atom in the line between atoms at indices 11 and 10, and the inserted atom must be 4.90 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural La4FeNi3O12
_chemical_formula_sum "La4 Fe1 Ni3 O12"
_cell_length_a 5.461621
_cell_length_b 5.55560827
_cell_length_c 7.79621485
_cell_angle_alpha 89.87058872
_cell_angle_beta 88.50660265
_cell_angle_gamma 89.98197263000002
_space_g... | data_image0
_chemical_formula_structural La4FeNi3O12Gd
_chemical_formula_sum "La4 Fe1 Ni3 O12 Gd1"
_cell_length_a 5.461621
_cell_length_b 5.55560827
_cell_length_c 7.79621485
_cell_angle_alpha 89.87058872
_cell_angle_beta 88.50660265
_cell_angle_gamma 89.98197263000002
_s... |
InsertBetweenAtomsAction | e17edcf5-a163-467f-86e7-4a669c727c2b | mp-1030158 | Insert a Ar atom in the line between atoms at indices 11 and 9, and the inserted atom must be 1.33 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Ar
_chemical_formula_sum "Te4 Mo1 W3 Se4 Ar1"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_nam... |
InsertBetweenAtomsAction | 729b8c07-4160-4c28-8d18-aa6cdc41516a | mp-1173920 | Insert a Mo atom in the line between atoms at indices 4 and 15, and the inserted atom must be 0.88 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Mo
_chemical_formula_sum "Li4 Mn2 Co2 O8 Mo1"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_s... |
InsertBetweenAtomsAction | 299b887c-e5a3-494b-9814-304e5aa09625 | mp-1517518 | Insert a Sm atom in the line between atoms at indices 0 and 4, and the inserted atom must be 1.42 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural BaCeEuCrO6
_chemical_formula_sum "Ba1 Ce1 Eu1 Cr1 O6"
_cell_length_a 5.8690142
_cell_length_b 5.8690142
_cell_length_c 5.869014199999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural BaCeEuCrO6Sm
_chemical_formula_sum "Ba1 Ce1 Eu1 Cr1 O6 Sm1"
_cell_length_a 5.8690142
_cell_length_b 5.8690142
_cell_length_c 5.869014199999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | e672bdf2-ca60-4150-b362-13fc36f6655f | mp-1239078 | Insert a Ac atom in the line between atoms at indices 20 and 13, and the inserted atom must be 10.01 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 Ho8Bi16C8Ac
_chemical_formula_sum "Ho8 Bi16 C8 Ac1"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 547cb61b-c270-4d71-992c-53bea142f25c | mp-561527 | Insert a Sb atom in the line between atoms at indices 21 and 49, and the inserted atom must be 8.80 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S36Sb
_chemical_formula_sum "Rb6 Zr4 P10 S36 Sb1"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_spac... |
InsertBetweenAtomsAction | 941531ae-9226-43c8-9974-4d887f543a03 | mp-1245478 | Insert a Mt atom in the line between atoms at indices 7 and 15, and the inserted atom must be 2.51 angstrom from atom at 7 in the cif file. | 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 Cr4Fe8N12Mt
_chemical_formula_sum "Cr4 Fe8 N12 Mt1"
_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... |
InsertBetweenAtomsAction | edb48b92-8fe4-44a5-8e96-21f3d9c24e29 | mp-1033433 | Insert a Na atom in the line between atoms at indices 11 and 3, and the inserted atom must be 3.78 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural SrMg6NbO8Na
_chemical_formula_sum "Sr1 Mg6 Nb1 O8 Na1"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 445bd744-b0ba-44a7-8cd3-fe7e36cb72b4 | mp-1518584 | Insert a Bh atom in the line between atoms at indices 14 and 9, and the inserted atom must be 1.77 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural SmDyCo4O12
_chemical_formula_sum "Sm1 Dy1 Co4 O12"
_cell_length_a 5.2469997
_cell_length_b 5.2469997
_cell_length_c 7.48993786
_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 SmDyCo4O12Bh
_chemical_formula_sum "Sm1 Dy1 Co4 O12 Bh1"
_cell_length_a 5.2469997
_cell_length_b 5.2469997
_cell_length_c 7.48993786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 50d6ebf0-c7a2-47c8-b1fe-d1f4d6c9e460 | mp-2222843 | Insert a Cd atom in the line between atoms at indices 2 and 3, and the inserted atom must be 1.27 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6Cd
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6 Cd1"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H... |
InsertBetweenAtomsAction | 2c65d778-998f-4e11-bb3d-8b23f5d4efbc | mp-768873 | Insert a Si atom in the line between atoms at indices 7 and 22, and the inserted atom must be 2.52 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y8Ge4O20Si
_chemical_formula_sum "Y8 Ge4 O20 Si1"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 33ac9e93-5fc6-49fa-9a02-ea0953885bad | mp-1246911 | Insert a Ba atom in the line between atoms at indices 8 and 9, and the inserted atom must be 1.14 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mn4Pb4N8
_chemical_formula_sum "Mn4 Pb4 N8"
_cell_length_a 5.843427
_cell_length_b 7.69255
_cell_length_c 5.283936
_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 Mn4Pb4N8Ba
_chemical_formula_sum "Mn4 Pb4 N8 Ba1"
_cell_length_a 5.843427
_cell_length_b 7.69255
_cell_length_c 5.283936
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
InsertBetweenAtomsAction | 8123226e-5299-44c3-945d-1bd00da81407 | mp-778104 | Insert a Na atom in the line between atoms at indices 34 and 16, and the inserted atom must be 1.20 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 Na8V8O20Na
_chemical_formula_sum "Na9 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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... |
InsertBetweenAtomsAction | 49d995d9-0875-48ce-97e7-3d78453299ee | mp-1032803 | Insert a Ga atom in the line between atoms at indices 4 and 1, and the inserted atom must be 2.14 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8Ga
_chemical_formula_sum "Mg6 Mn1 Zn1 O8 Ga1"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c4b07aab-ceb6-4266-8133-acbd1f1e22fa | mp-708997 | Insert a Yb atom in the line between atoms at indices 4 and 56, and the inserted atom must be 1.70 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural H52C12N4F16
_chemical_formula_sum "H52 C12 N4 F16"
_cell_length_a 7.739209
_cell_length_b 9.434008839999999
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.75593377999999
_cell_angle_gamma 90.7324... | data_image0
_chemical_formula_structural H52C12N4F16Yb
_chemical_formula_sum "H52 C12 N4 F16 Yb1"
_cell_length_a 7.739209
_cell_length_b 9.434008839999999
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.75593377999999
_cell_angle_gamma 9... |
InsertBetweenAtomsAction | f3d2b3ae-51f1-4900-97c4-3037bfa82712 | mp-1210133 | Insert a La atom in the line between atoms at indices 1 and 40, and the inserted atom must be 1.08 angstrom from atom at 1 in the cif file. | 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 Na4Ga4P8O28La
_chemical_formula_sum "Na4 Ga4 P8 O28 La1"
_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... |
InsertBetweenAtomsAction | 7940dd86-4773-45e7-8774-e54c3978281f | mp-1226187 | Insert a Lu atom in the line between atoms at indices 1 and 14, and the inserted atom must be 1.39 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16Lu
_chemical_formula_sum "Cs3 Rb5 Se4 O16 Lu1"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | d2d0d895-23fc-4ec1-9c70-b8628d7eb7fb | mp-774789 | Insert a Br atom in the line between atoms at indices 29 and 30, and the inserted atom must be 4.05 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32Br
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32 Br1"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74... |
InsertBetweenAtomsAction | 2a543d10-164d-496c-91b9-e5146c34c7c3 | mp-694554 | Insert a Eu atom in the line between atoms at indices 28 and 35, and the inserted atom must be 4.07 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28Eu
_chemical_formula_sum "Mn6 P8 O28 Eu1"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | f0bf4b04-ce86-4c97-a545-04720bc1b463 | mp-2241417 | Insert a Pu atom in the line between atoms at indices 11 and 12, and the inserted atom must be 1.42 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8Pu
_chemical_formula_sum "Na2 Mg1 Mn2 O8 Pu1"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_na... |
InsertBetweenAtomsAction | 99c25e41-8dad-4f42-91a2-6865b23b0f6c | mp-1247837 | Insert a Mc atom in the line between atoms at indices 45 and 15, and the inserted atom must be 1.92 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn8S32Mc
_chemical_formula_sum "Al16 Zn8 S32 Mc1"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 613b448d-a3b9-49d3-b58d-09b833ce0227 | mp-780727 | Insert a Na atom in the line between atoms at indices 14 and 16, and the inserted atom must be 2.34 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural Li4V3Cr2O10Na
_chemical_formula_sum "Li4 V3 Cr2 O10 Na1"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_sp... |
InsertBetweenAtomsAction | 8463beb0-e3b0-4a9a-8b78-0f3462cd9096 | mp-1196630 | Insert a Ac atom in the line between atoms at indices 6 and 30, and the inserted atom must be 4.01 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Ac
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12 Ac1"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_g... |
InsertBetweenAtomsAction | 9bd023fd-e31b-4129-b13b-a2f10ec0542c | mp-1342607 | Insert a In atom in the line between atoms at indices 16 and 9, and the inserted atom must be 1.64 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Mg4Mo4O12
_chemical_formula_sum "Mg4 Mo4 O12"
_cell_length_a 5.279528
_cell_length_b 5.403173
_cell_length_c 7.850493
_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 Mg4Mo4O12In
_chemical_formula_sum "Mg4 Mo4 O12 In1"
_cell_length_a 5.279528
_cell_length_b 5.403173
_cell_length_c 7.850493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | c9185940-4576-4f5c-817c-11e24a586ef7 | mp-698063 | Insert a In atom in the line between atoms at indices 10 and 29, and the inserted atom must be 5.13 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28In
_chemical_formula_sum "Na8 P8 H8 O28 In1"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
... |
InsertBetweenAtomsAction | 3e23da6d-79b5-4b35-ade4-da1fae03b4e9 | mp-1030158 | Insert a Fl atom in the line between atoms at indices 10 and 0, and the inserted atom must be 16.49 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Fl
_chemical_formula_sum "Te4 Mo1 W3 Se4 Fl1"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_nam... |
InsertBetweenAtomsAction | a827dd9a-3448-411d-abe9-2daf3ea80ac7 | mp-1199851 | Insert a I atom in the line between atoms at indices 14 and 25, and the inserted atom must be 2.75 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 Er4C12O32I
_chemical_formula_sum "Er4 C12 O32 I1"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
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