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 |
|---|---|---|---|---|---|
ChangeAtomAction | 6cd9b2f9-8b58-4c0b-a014-b63ca81d556c | mp-28092 | Change the atom at index 14 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B14CnB25H52O2
_chemical_formula_sum "B39 Cn1 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_g... |
ChangeAtomAction | 391b9536-a79a-4554-bcff-9ef07d720e08 | mp-1192809 | Change the atom at index 19 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O3FrO8
_chemical_formula_sum "Ag4 N12 O11 Fr1"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | add1d2af-2924-4365-abb4-fbe4403d7679 | mp-651997 | Change the atom at index 14 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge2ZrGe5O32
_chemical_formula_sum "Fe12 Ge7 Zr1 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
ChangeAtomAction | 2610509e-bdbd-487c-aade-fad3c81627c1 | mp-1207697 | Change the atom at index 0 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural YZr2CuF6
_chemical_formula_sum "Y1 Zr2 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_na... |
ChangeAtomAction | c739ab86-fd40-4bcb-bf7f-6303e2c435fc | mp-758762 | Change the atom at index 38 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe4P8O22CO5
_chemical_formula_sum "Li4 Fe4 P8 O27 C1"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | e2359986-b883-4001-8ad4-c7ed037230ff | mp-1236434 | Change the atom at index 8 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2CuNpCuS4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu2 Np1 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93... |
ChangeAtomAction | d87fad35-f81c-4b77-9e64-7bacef129c76 | mp-1206879 | Change the atom at index 7 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF3EsF2
_chemical_formula_sum "K3 Au1 F5 Es1"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_s... |
ChangeAtomAction | 7af188e2-14c3-4c77-82d9-2eb688175abc | mp-1194493 | Change the atom at index 16 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt2S4N2O18
_chemical_formula_sum "Pt2 S4 N2 O18"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_space_g... | data_image0
_chemical_formula_structural Pt2S4N2O8SbO9
_chemical_formula_sum "Pt2 S4 N2 O17 Sb1"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_... |
ChangeAtomAction | 14465c9e-c93f-469c-b9b4-d980ca7225a4 | mp-729187 | Change the atom at index 23 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn8C16N64O4
_chemical_formula_sum "Zn8 C16 N64 O4"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn8C15SeN64O4
_chemical_formula_sum "Zn8 C15 Se1 N64 O4"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | b57c1393-800e-432d-99a4-f28cf3e11438 | mp-3346792 | Change the atom at index 6 into Ru in the cif file. The indices of atoms are started from 0. | 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 H6RuC5N6O6
_chemical_formula_sum "H6 Ru1 C5 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_gr... |
ChangeAtomAction | 1730219c-3119-4e9f-8e9a-3d81a7653b2a | mp-1336298 | Change the atom at index 37 into Br in the cif file. The indices of atoms are started from 0. | 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 Al8Hg20Se9BrSe22
_chemical_formula_sum "Al8 Hg20 Se31 Br1"
_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... |
ChangeAtomAction | 0bdc40d7-8699-480d-8883-cdf9ca4a5986 | mp-1310084 | Change the atom at index 2 into Ag in the cif file. The indices of atoms are started from 0. | 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 Co2AgCoO2F6
_chemical_formula_sum "Co3 Ag1 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
_s... |
ChangeAtomAction | 9e9fc276-e742-4090-bcc7-66e968ed71d3 | mp-1076076 | Change the atom at index 23 into He in the cif file. The indices of atoms are started from 0. | 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 La7SmCo6Cu2O7HeO16
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O23 He1"
_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_g... |
ChangeAtomAction | aa7a49d8-9931-48bf-882a-f44526a57571 | mp-690607 | Change the atom at index 18 into Kr in the cif file. The indices of atoms are started from 0. | 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 K2BaNiN6O8KrO3
_chemical_formula_sum "K2 Ba1 Ni1 N6 O11 Kr1"
_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 117.3547198... |
ChangeAtomAction | 871dd902-173e-4cc0-b250-5bd66b767a5b | mp-1111315 | Change the atom at index 2 into At in the cif file. The indices of atoms are started from 0. | 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 Na2AtAgF6
_chemical_formula_sum "Na2 At1 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... |
ChangeAtomAction | a33bc166-0497-405e-94bc-aa26288b1a9c | mp-559270 | Change the atom at index 11 into Zr in the cif file. The indices of atoms are started from 0. | 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 Rb2Ba8SbZrSb4O2
_chemical_formula_sum "Rb2 Ba8 Sb5 Zr1 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
... |
ChangeAtomAction | 39189348-e976-459b-a324-7d670133147f | mp-541574 | Change the atom at index 4 into Ho in the cif file. The indices of atoms are started from 0. | 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 Ba4HoY7Co4O20
_chemical_formula_sum "Ba4 Ho1 Y7 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"... |
ChangeAtomAction | ce1433d9-cbd0-4892-9e1c-13e8862d2d5d | mp-1336298 | Change the atom at index 31 into Ce in the cif file. The indices of atoms are started from 0. | 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 Al8Hg20Se3CeSe28
_chemical_formula_sum "Al8 Hg20 Se31 Ce1"
_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... |
ChangeAtomAction | a25b2f81-e033-4bc8-969e-089831366bd2 | mp-1103066 | Change the atom at index 5 into Hf in the cif file. The indices of atoms are started from 0. | 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 Sm4SiHfSi2Pd4
_chemical_formula_sum "Sm4 Si3 Hf1 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"
_s... |
ChangeAtomAction | f111bbf8-2447-4327-b26a-f94b4064e5c3 | mp-1205450 | Change the atom at index 6 into Se in the cif file. The indices of atoms are started from 0. | 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 Pu6SePuSe12
_chemical_formula_sum "Pu7 Se13"
_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"
_sp... |
ChangeAtomAction | a5a3d8d5-6a26-4f5e-b4e4-358d11eb3fe2 | mp-1197288 | Change the atom at index 49 into N in the cif file. The indices of atoms are started from 0. | 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 Cs4Se12O33NO2
_chemical_formula_sum "Cs4 Se12 O35 N1"
_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 ... |
ChangeAtomAction | d7d68f72-b016-4e65-8849-fa96a78668a1 | mp-23977 | Change the atom at index 34 into Bk in the cif file. The indices of atoms are started from 0. | 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 H4S28N2BkN
_chemical_formula_sum "H4 S28 N3 Bk1"
_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_g... |
ChangeAtomAction | 3edae4a0-7e81-4343-af26-9911124b215a | mp-1204342 | Change the atom at index 36 into Y in the cif file. The indices of atoms are started from 0. | 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 Ca8B12H16YCl3O32
_chemical_formula_sum "Ca8 B12 H16 Y1 Cl3 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... |
ChangeAtomAction | ddb8431c-aba1-47b9-875b-45ca25c6bd79 | mp-29082 | Change the atom at index 0 into Sn in the cif file. The indices of atoms are started from 0. | 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 SnBa9Cr2N10
_chemical_formula_sum "Sn1 Ba9 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 96.077904359... |
ChangeAtomAction | fb89a817-5b48-4a89-a7d7-c5f929e69581 | mp-1522139 | Change the atom at index 5 into Ta in the cif file. The indices of atoms are started from 0. | 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 Ca2HfZrOTaO4
_chemical_formula_sum "Ca2 Hf1 Zr1 O5 Ta1"
_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_gamm... |
ChangeAtomAction | 4b857ef0-022f-41b8-a082-763484c1b1a4 | mp-776358 | Change the atom at index 3 into Zn in the cif file. The indices of atoms are started from 0. | 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 Li3ZnLi4Mn4C8S2O32
_chemical_formula_sum "Li7 Zn1 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 ... |
ChangeAtomAction | 407ccc0a-7816-4615-9cef-cbb71efc85c6 | mp-650023 | Change the atom at index 24 into Cs in the cif file. The indices of atoms are started from 0. | 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 K4Pd2C8S8N2CsN5
_chemical_formula_sum "K4 Pd2 C8 S8 N7 Cs1"
_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_... |
ChangeAtomAction | 90bbbb37-d7ed-4001-bc6e-8dbaeab7ae3f | mp-1198968 | Change the atom at index 12 into I in the cif file. The indices of atoms are started from 0. | 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 Be8P4IP3Pb4O32
_chemical_formula_sum "Be8 P7 I1 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-... |
ChangeAtomAction | 692cacbd-4fa2-42d8-8e5b-2306407a6a78 | mp-1111072 | Change the atom at index 5 into Ra in the cif file. The indices of atoms are started from 0. | 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 Li3MnFRaF4
_chemical_formula_sum "Li3 Mn1 F5 Ra1"
_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 60.0000004... |
ChangeAtomAction | 69fa3d3d-556f-4b9d-ab23-f06182fba157 | mp-1176871 | Change the atom at index 25 into I in the cif file. The indices of atoms are started from 0. | 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 Li14V6P5IP10O58
_chemical_formula_sum "Li14 V6 P15 I1 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 59.949112869... |
ChangeAtomAction | 506092df-ec1b-47ae-a2e1-867362aa3b71 | mp-759128 | Change the atom at index 22 into Bk in the cif file. The indices of atoms are started from 0. | 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 Li6Sb4P6O6BkO17
_chemical_formula_sum "Li6 Sb4 P6 O23 Bk1"
_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
_... |
ChangeAtomAction | 57416203-cd3e-41ce-848e-8a6470b087a7 | mp-559041 | Change the atom at index 11 into Tc in the cif file. The indices of atoms are started from 0. | 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 Tl2Mo4Cl5TcCl8O4
_chemical_formula_sum "Tl2 Mo4 Cl13 Tc1 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
_sp... |
ChangeAtomAction | d60ea151-a366-4b53-8580-260e7a37b645 | mp-18245 | Change the atom at index 10 into Pb in the cif file. The indices of atoms are started from 0. | 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 Na4Co4P2PbPO16
_chemical_formula_sum "Na4 Co4 P3 Pb1 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... |
ChangeAtomAction | 8afefeb0-e1a6-4cbc-b763-27c8a956b163 | mp-1207451 | Change the atom at index 33 into Ti in the cif file. The indices of atoms are started from 0. | 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 Zn4Cu8B8O13TiO10
_chemical_formula_sum "Zn4 Cu8 B8 O23 Ti1"
_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_g... |
ChangeAtomAction | d119ef54-6311-4a96-a0bf-0be7f1a30bc9 | mp-1176457 | Change the atom at index 11 into Mt in the cif file. The indices of atoms are started from 0. | 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 Mn6O2F3MtF6
_chemical_formula_sum "Mn6 O2 F9 Mt1"
_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... |
ChangeAtomAction | ea5e61d1-95f2-479b-887f-449fb685a5cf | mp-1209764 | Change the atom at index 1 into Ra in the cif file. The indices of atoms are started from 0. | 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 PrRaPr2Ni2Pt2O12
_chemical_formula_sum "Pr3 Ra1 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_a... |
ChangeAtomAction | 306fae79-f9f6-40a6-b085-f68e505cc808 | mp-763429 | Change the atom at index 0 into Cn in the cif file. The indices of atoms are started from 0. | 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 CnFeCo2O6
_chemical_formula_sum "Cn1 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... |
ChangeAtomAction | 4d09b83b-a374-459c-9c66-d542307b6d22 | mp-17335 | Change the atom at index 10 into Ir in the cif file. The indices of atoms are started from 0. | 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 Er2Ag2W4O2IrO13
_chemical_formula_sum "Er2 Ag2 W4 O15 Ir1"
_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_gr... |
ChangeAtomAction | 287bd3a9-597c-4035-9ed8-66e81d8c3463 | mp-768152 | Change the atom at index 15 into Tl in the cif file. The indices of atoms are started from 0. | 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 Na2Zr2P2C2O7TlO6
_chemical_formula_sum "Na2 Zr2 P2 C2 O13 Tl1"
_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... |
ChangeAtomAction | e75dae66-16e8-4375-8c6e-460b77322b9a | mp-569862 | Change the atom at index 5 into Mc in the cif file. The indices of atoms are started from 0. | 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 Rb5McRb2P4Se18
_chemical_formula_sum "Rb7 Mc1 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 9... |
ChangeAtomAction | c67032cf-db61-42e2-b6fa-1934a3c8c357 | mp-774323 | Change the atom at index 31 into Tc in the cif file. The indices of atoms are started from 0. | 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 Li4MnV3P8O15TcO12
_chemical_formula_sum "Li4 Mn1 V3 P8 O27 Tc1"
_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 119.11758347999... |
ChangeAtomAction | 20929328-65f6-4801-b253-3d738ea4cebc | mp-766529 | Change the atom at index 20 into Xe in the cif file. The indices of atoms are started from 0. | 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 Li4Fe4Si4O8XeO7
_chemical_formula_sum "Li4 Fe4 Si4 O15 Xe1"
_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... |
ChangeAtomAction | 021cd7a1-cbac-4a4b-ad07-13943b6f108b | mp-2228376 | Change the atom at index 7 into Pb in the cif file. The indices of atoms are started from 0. | 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 MgMnSb4OPbO10
_chemical_formula_sum "Mg1 Mn1 Sb4 O11 Pb1"
_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 57.96... |
ChangeAtomAction | d243ad14-537b-4950-946f-6312f264496c | mp-1105068 | Change the atom at index 6 into Mn in the cif file. The indices of atoms are started from 0. | 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 BaYFe4MnO6
_chemical_formula_sum "Ba1 Y1 Fe4 Mn1 O6"
_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... |
ChangeAtomAction | ebefe122-99a4-4ab8-ad68-256413d95773 | mp-705430 | Change the atom at index 34 into Db in the cif file. The indices of atoms are started from 0. | 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 Mn24O10DbO37
_chemical_formula_sum "Mn24 O47 Db1"
_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 ... |
ChangeAtomAction | 6d797f8f-e8aa-4a11-865a-c783223ebdaa | mp-1097054 | Change the atom at index 26 into Ac in the cif file. The indices of atoms are started from 0. | 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 K4Ce8Fe4O10AcO13
_chemical_formula_sum "K4 Ce8 Fe4 O23 Ac1"
_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 "... |
ChangeAtomAction | 119c99f5-6c5e-40a1-aed4-71721b83e01b | mp-1233358 | Change the atom at index 10 into Fe in the cif file. The indices of atoms are started from 0. | 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 CaV6O3FeO7F
_chemical_formula_sum "Ca1 V6 O10 Fe1 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
_s... |
ChangeAtomAction | 970f009a-60bb-4b4f-b875-e8f2fc553a86 | mp-760314 | Change the atom at index 14 into Cl in the cif file. The indices of atoms are started from 0. | 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 V6O5F3ClF15
_chemical_formula_sum "V6 O5 F18 Cl1"
_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
_s... |
ChangeAtomAction | 0e3641fb-ec55-4cef-9609-19d804c9195a | mp-606949 | Change the atom at index 8 into Ar in the cif file. The indices of atoms are started from 0. | 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 C8ArC3
_chemical_formula_sum "C11 Ar1"
_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_al... |
ChangeAtomAction | 8ad35db7-eab7-4b13-8b0b-c9e84f814377 | mp-759863 | Change the atom at index 2 into Nh in the cif file. The indices of atoms are started from 0. | 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 Na2NhNaV2O6
_chemical_formula_sum "Na3 Nh1 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_g... |
ChangeAtomAction | 284f7746-c3f0-4df8-9df5-7ca00bc2dba4 | mp-850249 | Change the atom at index 10 into Bi in the cif file. The indices of atoms are started from 0. | 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 Fe8S2BiS7
_chemical_formula_sum "Fe8 S9 Bi1"
_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... |
ChangeAtomAction | 251001a7-80d4-4d33-a127-60af1e448d7b | mp-864652 | Change the atom at index 3 into Cl in the cif file. The indices of atoms are started from 0. | 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 Nd3ClNd2Mn2Al2S14
_chemical_formula_sum "Nd5 Cl1 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_gr... |
ChangeAtomAction | 9b8470e2-2bac-4080-b918-63c192bb79b5 | mp-1194542 | Change the atom at index 29 into Pb in the cif file. The indices of atoms are started from 0. | 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 Ce4Al25PbAl6Co8
_chemical_formula_sum "Ce4 Al31 Pb1 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 ... |
ChangeAtomAction | 157ba159-5648-4b80-998c-b7da01ad7392 | mp-1073136 | Change the atom at index 8 into No in the cif file. The indices of atoms are started from 0. | 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 Mg4Si4NoSi
_chemical_formula_sum "Mg4 Si5 No1"
_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... |
ChangeAtomAction | ab51d8f4-4b2a-422f-83a5-f0a62dc30fa1 | mp-1179984 | Change the atom at index 13 into Y in the cif file. The indices of atoms are started from 0. | 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 Pt4Br9YBr2N8
_chemical_formula_sum "Pt4 Br11 Y1 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... |
ChangeAtomAction | a783da18-19cc-4104-83b1-dc824929ce0f | mp-655140 | Change the atom at index 0 into Xe in the cif file. The indices of atoms are started from 0. | 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 XeMn3Ag4O16
_chemical_formula_sum "Xe1 Mn3 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 "... |
ChangeAtomAction | 80b74271-69e5-4f5c-8504-903897dd2284 | mp-768416 | Change the atom at index 29 into Am in the cif file. The indices of atoms are started from 0. | 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 Ba8Y8Br13AmBr26
_chemical_formula_sum "Ba8 Y8 Br39 Am1"
_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-... |
ChangeAtomAction | 6229c8b8-98e1-4329-844c-fb7a0103d8ff | mp-1074233 | Change the atom at index 13 into Cm in the cif file. The indices of atoms are started from 0. | 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 Mg8Si5CmSi8
_chemical_formula_sum "Mg8 Si13 Cm1"
_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 ... |
ChangeAtomAction | 01decf75-be2e-4259-bd9a-75eb063bc792 | mp-772788 | Change the atom at index 5 into Db in the cif file. The indices of atoms are started from 0. | 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 Ba5DbBa2Cu8O20
_chemical_formula_sum "Ba7 Db1 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 ... |
ChangeAtomAction | 718d811b-ec11-4e94-99bc-e15059ba94d0 | mp-1195832 | Change the atom at index 25 into Al in the cif file. The indices of atoms are started from 0. | 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 Si2H23AlN8F8
_chemical_formula_sum "Si2 H23 Al1 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 ... |
ChangeAtomAction | e1088cda-5ed7-43c9-b89a-b9278890b0a8 | mp-569606 | Change the atom at index 0 into P in the cif file. The indices of atoms are started from 0. | 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 PNd5Mn2Bi10
_chemical_formula_sum "P1 Nd5 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... |
ChangeAtomAction | fabefcfb-8daf-4bae-877a-fb4a2c51b446 | mp-997504 | Change the atom at index 7 into No in the cif file. The indices of atoms are started from 0. | 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 Cu6ONoF10
_chemical_formula_sum "Cu6 O1 No1 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
... |
ChangeAtomAction | 0c277888-cd09-48ce-8f32-3e7a827273b2 | mp-1202419 | Change the atom at index 30 into Ra in the cif file. The indices of atoms are started from 0. | 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 Ca2Re4C10N14RaN5O26
_chemical_formula_sum "Ca2 Re4 C10 N19 Ra1 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... |
ChangeAtomAction | d2d91c68-a425-440d-bd43-da241e740909 | mp-1217519 | Change the atom at index 9 into Rb in the cif file. The indices of atoms are started from 0. | 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 Th2V4Pb2ORbO14
_chemical_formula_sum "Th2 V4 Pb2 O15 Rb1"
_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
... |
ChangeAtomAction | cab2fb75-291b-4f49-b322-a6805a527d0f | mp-764512 | Change the atom at index 22 into Np in the cif file. The indices of atoms are started from 0. | 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 Li5Fe8B8ONpO22
_chemical_formula_sum "Li5 Fe8 B8 O23 Np1"
_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
... |
ChangeAtomAction | 98e0abed-f257-43f8-9fe5-12764ec3cc04 | mp-1190970 | Change the atom at index 12 into Zr in the cif file. The indices of atoms are started from 0. | 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 Dy6Re2B4ZrB9
_chemical_formula_sum "Dy6 Re2 B13 Zr1"
_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 ... |
ChangeAtomAction | c03f7082-a648-4b9f-9fef-59dcb3f5e710 | mp-752981 | Change the atom at index 15 into Lr in the cif file. The indices of atoms are started from 0. | 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 Li3Fe2Ni3O7LrO2
_chemical_formula_sum "Li3 Fe2 Ni3 O9 Lr1"
_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_... |
ChangeAtomAction | 138d7ac9-4932-456c-867f-da1846ed6aca | mp-1035975 | Change the atom at index 18 into Gd in the cif file. The indices of atoms are started from 0. | 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 YMg14SnO2GdO13
_chemical_formula_sum "Y1 Mg14 Sn1 O15 Gd1"
_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 ... |
ChangeAtomAction | 4635a4a4-2eee-4072-b4fb-c6b0b15563a5 | mp-1245016 | Change the atom at index 16 into Zn in the cif file. The indices of atoms are started from 0. | 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 Cr16ZnCr7Fe8O48
_chemical_formula_sum "Cr23 Zn1 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
... |
ChangeAtomAction | 74b531ba-950f-4e68-a450-2b9de4f141de | mp-762067 | Change the atom at index 40 into Bi in the cif file. The indices of atoms are started from 0. | 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 Li8Ti6V6Sb4O16BiO15
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O31 Bi1"
_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 ... |
ChangeAtomAction | 459db600-28be-41ec-ad33-8f427bc87ac8 | mp-1175286 | Change the atom at index 12 into Sn in the cif file. The indices of atoms are started from 0. | 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 Li7Mn4CoSnO11
_chemical_formula_sum "Li7 Mn4 Co1 Sn1 O11"
_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... |
ChangeAtomAction | 208e77e6-a51f-4105-ae99-2283bae81e94 | mp-768283 | Change the atom at index 8 into Ag in the cif file. The indices of atoms are started from 0. | 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 U2As4H2AgH9O22
_chemical_formula_sum "U2 As4 H11 Ag1 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 ... |
ChangeAtomAction | 46550fde-f986-4855-a678-cabcdd01d17a | mp-774074 | Change the atom at index 12 into Ir in the cif file. The indices of atoms are started from 0. | 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 Na4Sb8IrO21
_chemical_formula_sum "Na4 Sb8 Ir1 O21"
_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... |
ChangeAtomAction | 3b213f4d-b92d-42cd-81b2-8dd86fe01f46 | mp-773086 | Change the atom at index 1 into Lr in the cif file. The indices of atoms are started from 0. | 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 LiLrLi6Mn6Sb2O16
_chemical_formula_sum "Li7 Lr1 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 72.82830... |
ChangeAtomAction | fb8126a9-6d6f-4624-947e-ae1ae85ed81b | mp-1036083 | Change the atom at index 12 into Ag in the cif file. The indices of atoms are started from 0. | 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 Mg12AgMgMnBO16
_chemical_formula_sum "Mg13 Ag1 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 ... |
ChangeAtomAction | 607a4058-1275-4311-a738-a939d0dd3707 | mp-780696 | Change the atom at index 26 into Mn in the cif file. The indices of atoms are started from 0. | 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 Ca2Mn2As4H12O6MnO13
_chemical_formula_sum "Ca2 Mn3 As4 H12 O19"
_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
_s... |
ChangeAtomAction | 51052903-1b1e-45e6-9bb9-11670583bcda | mp-559286 | Change the atom at index 16 into Ru in the cif file. The indices of atoms are started from 0. | 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 Na8Al6Ge2RuGe3Cl2O24
_chemical_formula_sum "Na8 Al6 Ge5 Ru1 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_... |
ChangeAtomAction | 882db6bb-ead9-48a6-b28d-6ed24db1625b | mp-753161 | Change the atom at index 1 into Am in the cif file. The indices of atoms are started from 0. | 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 LiAmLi6V4O8F8
_chemical_formula_sum "Li7 Am1 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
... |
ChangeAtomAction | 40ec9aed-67bc-4c42-a868-9fb023ee22f9 | mp-672986 | Change the atom at index 2 into Pd in the cif file. The indices of atoms are started from 0. | 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 Sn2PdSnP4O16
_chemical_formula_sum "Sn3 Pd1 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_nam... |
ChangeAtomAction | 07f184ee-6f40-457f-ab2f-69e74bb2bb2e | mp-756638 | Change the atom at index 11 into Hg in the cif file. The indices of atoms are started from 0. | 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 Nb2Rh2O7Hg
_chemical_formula_sum "Nb2 Rh2 O7 Hg1"
_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... |
ChangeAtomAction | 1ee6b64d-eef5-48ee-bc03-6e38b9d7e2ce | mp-1073590 | Change the atom at index 1 into Cr in the cif file. The indices of atoms are started from 0. | 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 MgCrMg6Si16
_chemical_formula_sum "Mg7 Cr1 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.... |
ChangeAtomAction | 8bc6823f-20f0-46ee-b1f6-58b4cf5d39d0 | mp-1179444 | Change the atom at index 30 into Si in the cif file. The indices of atoms are started from 0. | 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 Re4C4S4N8Cl10SiClO8
_chemical_formula_sum "Re4 C4 S4 N8 Cl11 Si1 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-... |
ChangeAtomAction | ca61f211-fe03-4056-b0dd-a9074c97f882 | mp-1223166 | Change the atom at index 12 into Pr in the cif file. The indices of atoms are started from 0. | 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 La4FeNi3O4PrO7
_chemical_formula_sum "La4 Fe1 Ni3 O11 Pr1"
_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
_... |
ChangeAtomAction | 1b66291a-894b-425f-95ba-74af77a94aa1 | mp-1030158 | Change the atom at index 0 into Pu in the cif file. The indices of atoms are started from 0. | 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 PuTe3MoW3Se4
_chemical_formula_sum "Pu1 Te3 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_nam... |
ChangeAtomAction | adae5810-1eaf-45eb-952c-82a28ff7f2b3 | mp-1173920 | Change the atom at index 9 into Tm in the cif file. The indices of atoms are started from 0. | 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 Li4Mn2Co2OTmO6
_chemical_formula_sum "Li4 Mn2 Co2 O7 Tm1"
_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
_... |
ChangeAtomAction | 5d50f945-d673-4464-a22a-f641a4ef2191 | mp-1517518 | Change the atom at index 2 into F in the cif file. The indices of atoms are started from 0. | 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 BaCeFCrO6
_chemical_formula_sum "Ba1 Ce1 F1 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 59.999... |
ChangeAtomAction | 4f9b2bda-6244-43a0-8b95-2cecebccaaf5 | mp-1239078 | Change the atom at index 13 into Rh in the cif file. The indices of atoms are started from 0. | 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 Ho8Bi5RhBi10C8
_chemical_formula_sum "Ho8 Bi15 Rh1 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"... |
ChangeAtomAction | 3447bd0c-b30d-4687-bb29-40fb316ad8fe | mp-561527 | Change the atom at index 21 into Tc in the cif file. The indices of atoms are started from 0. | 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 Rb6Zr4P10STcS34
_chemical_formula_sum "Rb6 Zr4 P10 S35 Tc1"
_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
_spa... |
ChangeAtomAction | 7b38eb83-6b93-4562-a291-cc07be7e5ca3 | mp-1245478 | Change the atom at index 2 into Ta in the cif file. The indices of atoms are started from 0. | 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 Cr2TaCrFe8N12
_chemical_formula_sum "Cr3 Ta1 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_gro... |
ChangeAtomAction | 1db3bd6b-927f-47b9-a897-1670340d85ec | mp-1033433 | Change the atom at index 8 into V in the cif file. The indices of atoms are started from 0. | 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 SrMg6NbVO7
_chemical_formula_sum "Sr1 Mg6 Nb1 V1 O7"
_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 ... |
ChangeAtomAction | b70fcfcd-e740-46bf-85ab-ecf54877584d | mp-1518584 | Change the atom at index 16 into Pt in the cif file. The indices of atoms are started from 0. | 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 SmDyCo4O10PtO
_chemical_formula_sum "Sm1 Dy1 Co4 O11 Pt1"
_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 ... |
ChangeAtomAction | 2627b3c3-3426-4c20-b8e1-28bd8f2e3d9b | mp-2222843 | Change the atom at index 9 into La in the cif file. The indices of atoms are started from 0. | 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 KMgNiIO5La
_chemical_formula_sum "K1 Mg1 Ni1 I1 O5 La1"
_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... |
ChangeAtomAction | bbe38a2b-e8e4-4084-aaf3-5677400ba287 | mp-768873 | Change the atom at index 1 into Bk in the cif file. The indices of atoms are started from 0. | 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 YBkY6Ge4O20
_chemical_formula_sum "Y7 Bk1 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... |
ChangeAtomAction | cb767a12-b0bd-49ac-9468-f88fdd9bb2ab | mp-1246911 | Change the atom at index 10 into Sr in the cif file. The indices of atoms are started from 0. | 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 Mn4Pb4N2SrN5
_chemical_formula_sum "Mn4 Pb4 N7 Sr1"
_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"
_spac... |
ChangeAtomAction | e0952be7-d074-42ab-8930-b68fc7c3c545 | mp-778104 | Change the atom at index 22 into Ra in the cif file. The indices of atoms are started from 0. | 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 Na8V8O6RaO13
_chemical_formula_sum "Na8 V8 O19 Ra1"
_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"
_sp... |
ChangeAtomAction | 883ad6f2-1943-4682-9670-cc073bf22d86 | mp-1032803 | Change the atom at index 3 into Pd in the cif file. The indices of atoms are started from 0. | 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 Mg3PdMg2MnZnO8
_chemical_formula_sum "Mg5 Pd1 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 ... |
ChangeAtomAction | 80c8c10b-02d8-4d4b-895b-be4bcb84573f | mp-708997 | Change the atom at index 76 into Ba in the cif file. The indices of atoms are started from 0. | 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 H52C12N4F8BaF7
_chemical_formula_sum "H52 C12 N4 F15 Ba1"
_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 ... |
ChangeAtomAction | 4e3839c8-0ac6-4df8-bc84-eed85cef6148 | mp-1210133 | Change the atom at index 2 into Pr in the cif file. The indices of atoms are started from 0. | 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 Na2PrNaGa4P8O28
_chemical_formula_sum "Na3 Pr1 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_a... |
ChangeAtomAction | 79309586-f570-4e3f-a335-4bdcc7c66788 | mp-1226187 | Change the atom at index 6 into Li in the cif file. The indices of atoms are started from 0. | 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 Cs3Rb3LiRbSe4O16
_chemical_formula_sum "Cs3 Rb4 Li1 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_... |
ChangeAtomAction | 5d276c87-49dc-4b2b-aec6-5e48b69cf506 | mp-774789 | Change the atom at index 24 into Na in the cif file. The indices of atoms are started from 0. | 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 Li8Ti4Co6Sb6NaO31
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 Na1 O31"
_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... |
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