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 | 60eac103-00f4-4d8e-899d-5545918e75d6 | mp-756652 | Change the atom at index 20 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O12YbO3
_chemical_formula_sum "Co4 P4 O15 Yb1"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_... |
ChangeAtomAction | 446f753e-1ef5-4008-9ad5-6088c0966bb8 | mp-1046251 | Change the atom at index 11 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2ONbO14
_chemical_formula_sum "Ta4 Zn4 W2 O15 Nb1"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_... |
ChangeAtomAction | 38929592-a491-4afc-aae1-ee76629c05b9 | mp-3855 | 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 Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F12NaF3
_chemical_formula_sum "Na9 Be4 F15"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | b57ec97c-54c6-4666-8378-5cdd86a18170 | mp-1203399 | Change the atom at index 10 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm3Cd33
_chemical_formula_sum "Sm3 Cd33"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 Sm3Cd7ErCd25
_chemical_formula_sum "Sm3 Cd32 Er1"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 2c39ab45-9657-4438-adf5-21f39a8e8f66 | mp-1226097 | Change the atom at index 11 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr6Co2CuSe2NeSe9
_chemical_formula_sum "Cr6 Co2 Cu1 Se11 Ne1"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_sp... |
ChangeAtomAction | 1b5d8009-2b42-4c86-8b3a-c152551856ad | mp-694989 | Change the atom at index 20 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... | data_image0
_chemical_formula_structural Sr2Nd10Fe8McFe3As12O12
_chemical_formula_sum "Sr2 Nd10 Fe11 Mc1 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma ... |
ChangeAtomAction | 4f249feb-20b3-4f76-ae95-4c3f704c7148 | mp-1102445 | 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 Pr3Ni9
_chemical_formula_sum "Pr3 Ni9"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr3ClNi8
_chemical_formula_sum "Pr3 Cl1 Ni8"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_na... |
ChangeAtomAction | 864af4de-9315-4f3b-94ef-65add5bdb1dd | mp-559303 | Change the atom at index 22 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mo4S12N8Cl32
_chemical_formula_sum "Mo4 S12 N8 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Mo4S12N6ScNCl32
_chemical_formula_sum "Mo4 S12 N7 Sc1 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
ChangeAtomAction | 19a4570c-f004-4783-810a-c8074571b23c | mp-752 | Change the atom at index 53 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn30Si52
_chemical_formula_sum "Mn30 Si52"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mn30Si23PaSi28
_chemical_formula_sum "Mn30 Si51 Pa1"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_grou... |
ChangeAtomAction | 615174c9-8537-402f-9770-282ba272c962 | mp-13211 | Change the atom at index 19 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O11BkO2
_chemical_formula_sum "Ag4 Te4 O13 Bk1"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.536108320000... |
ChangeAtomAction | f0bc66a6-c71c-40f9-be20-7c1b38369525 | mp-1246483 | Change the atom at index 14 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2BkN7
_chemical_formula_sum "Li12 Re2 Bk1 N7"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
ChangeAtomAction | 7dbc965d-efce-4f9d-a4c1-f29156437d26 | mp-27148 | Change the atom at index 12 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P4DbP11
_chemical_formula_sum "Be8 P15 Db1"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_gr... |
ChangeAtomAction | 2475d284-c3e5-47ae-8cb6-fe2969c0b162 | mp-559136 | Change the atom at index 62 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4H32N8O40
_chemical_formula_sum "Ca4 H32 N8 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4H32N8O18DbO21
_chemical_formula_sum "Ca4 H32 N8 O39 Db1"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | b482bfa6-226d-451e-90f5-d9a0aae76918 | mp-1044904 | Change the atom at index 27 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13O6MnO21
_chemical_formula_sum "Y4 Si2 Sb2 W13 O27 Mn1"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 15... |
ChangeAtomAction | fe8dc4c1-f02c-49e7-a42d-c0a31a8c07f7 | mp-1341052 | Change the atom at index 15 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 Ca4W4O7FeO2
_chemical_formula_sum "Ca4 W4 O9 Fe1"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 | 2adc720f-ed99-43ea-9144-34f246fa6b18 | mp-1036398 | Change the atom at index 19 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO3CeO12
_chemical_formula_sum "Mg14 Al1 B1 O15 Ce1"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 645277dc-354d-4db6-9984-4b2d1e6138de | mp-866712 | Change the atom at index 5 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20
_chemical_formula_sum "Rb2 Mn2 P6 H2 O20"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_space_... | data_image0
_chemical_formula_structural Rb2Mn2PBeP4H2O20
_chemical_formula_sum "Rb2 Mn2 P5 Be1 H2 O20"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
... |
ChangeAtomAction | 2c526340-5659-4c35-b0ad-169439091714 | mp-1200799 | Change the atom at index 45 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8P8O44
_chemical_formula_sum "Ca8 P8 O44"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ca8P8O29HgO14
_chemical_formula_sum "Ca8 P8 O43 Hg1"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | cc1cf86f-4f6d-4529-bcce-eef6b43eb86a | mp-767946 | Change the atom at index 18 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2V3SbP6O24
_chemical_formula_sum "Mn2 V3 Sb1 P6 O24"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000001
_sp... | data_image0
_chemical_formula_structural Mn2V3SbP6O6XeO17
_chemical_formula_sum "Mn2 V3 Sb1 P6 O23 Xe1"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000... |
ChangeAtomAction | 31ea3761-4b93-430f-bfca-969315c0ac49 | mp-30156 | Change the atom at index 3 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mg4N4
_chemical_formula_sum "Li4 Mg4 N4"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_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 Li3SrMg4N4
_chemical_formula_sum "Li3 Sr1 Mg4 N4"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | a46b13bb-7ca9-48b8-a881-a54c6078b942 | mp-676210 | Change the atom at index 17 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti4Cl12
_chemical_formula_sum "Li4 Ti4 Cl12"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_space_g... | data_image0
_chemical_formula_structural Li4Ti4Cl9YCl2
_chemical_formula_sum "Li4 Ti4 Cl11 Y1"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_s... |
ChangeAtomAction | 81c04364-7a8f-4fcd-bc32-0d3cd04b7007 | mp-1213236 | Change the atom at index 3 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4P12O56
_chemical_formula_sum "La4 P12 O56"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 La3ErP12O56
_chemical_formula_sum "La3 Er1 P12 O56"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 | 3e140ade-837a-4241-ae32-06528a637768 | mp-571288 | Change the atom at index 6 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag2CfAgSe8
_chemical_formula_sum "K2 Ta2 Ag3 Cf1 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_grou... |
ChangeAtomAction | 3e089eff-5128-4e42-ac86-622ba232f938 | mp-2713621 | Change the atom at index 27 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si7YP4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si7 Y1 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma ... |
ChangeAtomAction | ae3656d8-e4e9-44fc-82bb-e4eb2192b7a8 | mp-27741 | Change the atom at index 3 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te3YbAu4I4
_chemical_formula_sum "Te3 Yb1 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-... |
ChangeAtomAction | d6fc8524-f38c-4fd7-b79e-d1d4db773d4f | mp-1016342 | Change the atom at index 3 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2MgInMg10Sb2
_chemical_formula_sum "Sr2 Mg11 In1 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 4d0ab63e-fb5b-4665-ab76-737e6a737cba | mp-561248 | Change the atom at index 18 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te2NTe5S8
_chemical_formula_sum "Sm8 Cu8 Te7 N1 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 46b9c08a-fb44-4d58-938a-48011d2a74fd | mp-1178123 | Change the atom at index 25 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co8O16
_chemical_formula_sum "Li4 Co8 O16"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Li4Co8O13EsO2
_chemical_formula_sum "Li4 Co8 O15 Es1"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group... |
ChangeAtomAction | 34012df3-7ea1-4977-8d8d-12179eeafda5 | mp-2232163 | Change the atom at index 0 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe2S2O8F2
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... | data_image0
_chemical_formula_structural OgFe2S2O8F2
_chemical_formula_sum "Og1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... |
ChangeAtomAction | 7d22b236-5a80-4ded-8075-e21c4a6f7efb | mp-2218162 | Change the atom at index 5 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3AtO6
_chemical_formula_sum "Mg1 Nb1 Bi3 At1 O6"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 6... |
ChangeAtomAction | cb787df2-ea65-4912-95ab-7599436c0bef | mp-2227447 | Change the atom at index 9 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn3HO6
_chemical_formula_sum "Mg1 Mn3 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_spa... | data_image0
_chemical_formula_structural MgMn3HO4PmO
_chemical_formula_sum "Mg1 Mn3 H1 O5 Pm1"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.9348092099999... |
ChangeAtomAction | 8f26dda5-1495-4a0b-80a2-1d958c23ac62 | mp-757417 | Change the atom at index 21 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3NiP4O16
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Mn3NiP4O9FO6
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O15 F1"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | 148cc11e-b0df-4c06-bff4-e2b2f036f854 | mp-1182309 | Change the atom at index 2 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2B4O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... | data_image0
_chemical_formula_structural Ca2RnB3O20
_chemical_formula_sum "Ca2 Rn1 B3 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_... |
ChangeAtomAction | 0516bb1d-26d5-42d5-a4bf-83469430654e | mp-2217709 | Change the atom at index 9 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O4SmO
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O5 Sm1"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_na... |
ChangeAtomAction | 1bbf2bc0-af81-4773-8a28-b546bf1a3ddd | mp-755742 | Change the atom at index 11 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Sb4O14
_chemical_formula_sum "Ho4 Sb4 O14"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... | data_image0
_chemical_formula_structural Ho4Sb4O3RnO10
_chemical_formula_sum "Ho4 Sb4 O13 Rn1"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.243386... |
ChangeAtomAction | 86b650b4-7fff-4a48-8f71-7ee957d688f1 | mp-729312 | Change the atom at index 27 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8In4Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_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 K8In4Br15InBr4O4
_chemical_formula_sum "K8 In5 Br19 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 12e938c6-2ba3-4c1d-a679-c0ffc8cab79d | mp-770481 | Change the atom at index 26 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO16LaO8
_chemical_formula_sum "Ta9 P1 O24 La1"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_gr... |
ChangeAtomAction | 76f91446-5598-4acd-b39f-cdc3d577f749 | mp-24598 | Change the atom at index 69 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O37LiO2
_chemical_formula_sum "Ba4 V4 P8 H16 O39 Li1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | b8773162-7959-41fb-a346-ae14d8152868 | mp-762633 | Change the atom at index 9 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO5Rh
_chemical_formula_sum "Li1 Mn2 Ni1 O5 Rh1"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_sp... |
ChangeAtomAction | 7d2fc08a-e170-41da-9b5b-d474fdad02a9 | mp-1174239 | Change the atom at index 9 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8CoSgCo4O14
_chemical_formula_sum "Li8 Co5 Sg1 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group... |
ChangeAtomAction | 75080640-c5f5-4934-b0aa-0fdef6233ff6 | mp-772861 | Change the atom at index 3 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Sr8I24
_chemical_formula_sum "Ba4 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 Ba3AtSr8I24
_chemical_formula_sum "Ba3 At1 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 | 48349e1c-58d8-49a1-8f63-275c7dc3feb9 | mp-753328 | Change the atom at index 5 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5PuMn2Co2O10
_chemical_formula_sum "Li5 Pu1 Mn2 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_spac... |
ChangeAtomAction | ead64674-6f81-4dc0-a9da-a9e5ebc49257 | mp-1207972 | Change the atom at index 11 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4Ti6GeBiGe6
_chemical_formula_sum "U4 Ti6 Ge7 Bi1"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 39e7592f-1414-44e7-8a25-d4f6b6b7ce7a | mp-650121 | Change the atom at index 10 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li10KrLiSe6O24
_chemical_formula_sum "Li11 Kr1 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_g... |
ChangeAtomAction | c9c8c696-9ad7-479e-a922-eba40ca05136 | mp-13602 | Change the atom at index 16 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As4IAs3O32
_chemical_formula_sum "Cd12 As7 I1 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 75a64941-c44b-4e18-8b9b-80d491609c45 | mp-1223550 | Change the atom at index 18 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KP4N3O16
_chemical_formula_sum "K1 P4 N3 O16"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 KP4N3O10SgO5
_chemical_formula_sum "K1 P4 N3 O15 Sg1"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 | abda2303-3edb-4261-985c-e080836babae | mp-763659 | Change the atom at index 9 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O2McO5
_chemical_formula_sum "Li3 V2 Fe2 O7 Mc1"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.5174351599999... |
ChangeAtomAction | 9122319c-7197-47b0-b514-9b3ef572b21d | mp-1044237 | Change the atom at index 23 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_gr... | data_image0
_chemical_formula_structural Ca2Ti2V2P6O11CfO12
_chemical_formula_sum "Ca2 Ti2 V2 P6 O23 Cf1"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
... |
ChangeAtomAction | 4ee73da0-8459-4e6d-95a0-7e16e594b9c0 | mp-28179 | Change the atom at index 10 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl2AtCl21
_chemical_formula_sum "Na4 Ta4 Cl23 At1"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 1a840da4-28ec-49e7-bfba-e4ba533ac753 | mp-1235350 | Change the atom at index 12 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4LiSe4O14
_chemical_formula_sum "Rb4 Li1 Se4 O14"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... | data_image0
_chemical_formula_structural Rb4LiSe4O3VO10
_chemical_formula_sum "Rb4 Li1 Se4 O13 V1"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.1341885399... |
ChangeAtomAction | 3445952d-8d57-481e-9db1-fb2437ff75de | mp-1228441 | Change the atom at index 6 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6TbHg31
_chemical_formula_sum "Ba6 Tb1 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M... |
ChangeAtomAction | 9e9ede71-1191-44d5-9d70-cae1a2556392 | mp-1214242 | Change the atom at index 32 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be6Ag8P6Br2O24
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_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 Be6Ag8P6Br2O10AmO13
_chemical_formula_sum "Be6 Ag8 P6 Br2 O23 Am1"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | a48616da-6661-4640-a6a2-50bd155f8029 | mp-1047887 | Change the atom at index 30 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Co6P6O26
_chemical_formula_sum "Mg2 Co6 P6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg2Co6P6O16CfO9
_chemical_formula_sum "Mg2 Co6 P6 O25 Cf1"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | ad262a33-409c-4ee3-9668-119b476dc80b | mp-1113640 | Change the atom at index 3 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2SmAuCl6
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb2SmAsCl6
_chemical_formula_sum "Rb2 Sm1 As1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
ChangeAtomAction | 2a886b4f-90ea-46c2-bd28-854835d0f127 | mp-780727 | Change the atom at index 11 into F in the cif file. The indices of atoms are started from 0. | 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 Li4V3Cr2O2FO7
_chemical_formula_sum "Li4 V3 Cr2 O9 F1"
_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
_spac... |
ChangeAtomAction | a8b1f209-2c20-44c7-94ad-bbb8a16e8544 | mp-1207697 | Change the atom at index 1 into Nh 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 ZrNhZrCuF6
_chemical_formula_sum "Zr2 Nh1 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... |
ChangeAtomAction | 05b8af02-e063-4bfe-a7db-a7d98d1fc4f8 | mp-1176342 | Change the atom at index 7 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6VTaV4O16
_chemical_formula_sum "Na6 V5 Ta1 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_na... |
ChangeAtomAction | 956a65f5-acb5-477b-8e85-d910981189da | mp-561176 | Change the atom at index 60 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F44RgF7
_chemical_formula_sum "Sb8 P4 O4 F51 Rg1"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 5cff891d-7dbe-42f3-ba6f-6cfcba134b7d | mp-28802 | Change the atom at index 16 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F9VF4
_chemical_formula_sum "Sr4 Zn3 F13 V1"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space... |
ChangeAtomAction | d60533d5-351e-4f4e-9858-6b955116f7e8 | mp-754011 | Change the atom at index 6 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi4OgBiO12
_chemical_formula_sum "Li2 Bi5 Og1 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma ... |
ChangeAtomAction | 8f8ae711-fccd-4af4-91f6-d81906e14c96 | mp-1227935 | Change the atom at index 66 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca20Si3Ge9O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... | data_image0
_chemical_formula_structural Ca20Si3Ge9O34SnO9
_chemical_formula_sum "Ca20 Si3 Ge9 O43 Sn1"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.314... |
ChangeAtomAction | 69dca246-3689-49eb-8449-0446bd89c52f | mp-767140 | Change the atom at index 30 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn8P8O28
_chemical_formula_sum "Sn8 P8 O28"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... | data_image0
_chemical_formula_structural Sn8P8O14HeO13
_chemical_formula_sum "Sn8 P8 O27 He1"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_spac... |
ChangeAtomAction | 8f4b921c-f723-4fc8-8241-66881e0e4cce | mp-753160 | Change the atom at index 5 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4O4F4
_chemical_formula_sum "Bi4 O4 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_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_I... | data_image0
_chemical_formula_structural Bi4OPtO2F4
_chemical_formula_sum "Bi4 O3 Pt1 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
ChangeAtomAction | bfda9b9f-ad77-4a8f-827d-d4a3baff741b | mp-1212060 | Change the atom at index 6 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4Pb8F28
_chemical_formula_sum "In4 Pb8 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural In4Pb2LrPb5F28
_chemical_formula_sum "In4 Pb7 Lr1 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | a851e978-d66b-47b3-80e1-45383c36b2b0 | mp-729907 | Change the atom at index 88 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O13Ni
_chemical_formula_sum "Ni2 H48 C16 S8 N2 O13"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... |
ChangeAtomAction | 37fd629d-ead0-4115-997e-ae16fac796b6 | mp-1208177 | Change the atom at index 7 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U7RbCo2
_chemical_formula_sum "U7 Rb1 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
ChangeAtomAction | 276b8a6a-3289-42cf-96de-20a52e96e402 | mp-1213447 | Change the atom at index 27 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O3BaO34F2
_chemical_formula_sum "K1 Ba2 Na1 Ca1 Ti4 Fe8 Si8 O37 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma ... |
ChangeAtomAction | b317a097-6cfe-46d2-884c-a861d391c650 | mp-1173638 | Change the atom at index 31 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O16CuO3
_chemical_formula_sum "Sr10 Cu2 Ru4 O19"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma ... |
ChangeAtomAction | 5c84a15f-5c7a-46bd-a0e6-ca4ee217a59e | mp-1192446 | Change the atom at index 3 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pb4Se2N4O18
_chemical_formula_sum "Pb4 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_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 Pb3NpSe2N4O18
_chemical_formula_sum "Pb3 Np1 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 65545710-fab8-4c4a-b65e-969d32c3d237 | mp-1200874 | Change the atom at index 19 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce16Mg8Ni16
_chemical_formula_sum "Ce16 Mg8 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ce16Mg3OMg4Ni16
_chemical_formula_sum "Ce16 Mg7 O1 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
ChangeAtomAction | dc11e86c-ee77-43b6-b52d-6a671533059c | mp-1080534 | Change the atom at index 9 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Li3I5
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2Li3I4Pa
_chemical_formula_sum "Cs2 Li3 I4 Pa1"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_... |
ChangeAtomAction | bcf6f078-89af-4f86-a8d9-4e9da8cfc529 | mp-1211020 | Change the atom at index 64 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ga4P16O48
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_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 Li4Ga4P16O40NeO7
_chemical_formula_sum "Li4 Ga4 P16 O47 Ne1"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 642eea9a-fb1e-496f-be5b-cbcfcce06655 | mp-1204112 | Change the atom at index 10 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8CuS11N12Cl12
_chemical_formula_sum "Sn2 H8 Cu1 S11 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
ChangeAtomAction | 41dcdb94-47c1-4020-b71e-7c737cc20d3a | mp-1177498 | Change the atom at index 28 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V4P8H4O32
_chemical_formula_sum "Li6 V4 P8 H4 O32"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... | data_image0
_chemical_formula_structural Li6V4P8H4O6McO25
_chemical_formula_sum "Li6 V4 P8 H4 O31 Mc1"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999... |
ChangeAtomAction | 13ef1d3e-be6f-440e-a356-eb6925098b44 | mp-769928 | Change the atom at index 14 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O6BkO
_chemical_formula_sum "Li4 Nb1 V3 O7 Bk1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.04... |
ChangeAtomAction | 7cd81ab2-4d81-4593-a3e4-4f8a2b6269cf | mp-1192578 | Change the atom at index 11 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4PuO15
_chemical_formula_sum "K2 Ca4 U1 Si4 Pu1 O15"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087... |
ChangeAtomAction | 60ace7e9-5bb8-456b-94ad-bcf1837641dc | mp-1029771 | Change the atom at index 6 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca6BrCaRe4N12
_chemical_formula_sum "Ca7 Br1 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000... |
ChangeAtomAction | cd24bd32-1c47-444d-bc8b-0222dd66fc2c | mp-765581 | Change the atom at index 20 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8Cr4O16
_chemical_formula_sum "Mn8 Cr4 O16"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... | data_image0
_chemical_formula_structural Mn8Cr4O8NpO7
_chemical_formula_sum "Mn8 Cr4 O15 Np1"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.3585656299999... |
ChangeAtomAction | 4070f50a-c996-44dd-8e52-c4e558db5661 | mp-531566 | Change the atom at index 72 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O42RaO5
_chemical_formula_sum "La16 Mn14 O47 Ra1"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589... |
ChangeAtomAction | bd1759cb-3dc0-4164-8434-62fd3d2cbaf6 | mp-1198143 | Change the atom at index 37 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H25TcH14O4
_chemical_formula_sum "Ca4 B8 H39 Tc1 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | accfad6a-609d-4366-ac60-af948d387f21 | mp-24473 | 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 Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be4P4H13TcH2N4O16
_chemical_formula_sum "Be4 P4 H15 Tc1 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | e79fa691-9983-4ec2-8fc9-e5aa664bf8f4 | mp-1079383 | Change the atom at index 1 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 CeClCe2In2Cu4
_chemical_formula_sum "Ce3 Cl1 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | cccbc88e-e7bb-44ca-9282-2e41f4790a31 | mp-763831 | Change the atom at index 26 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O8ArF3
_chemical_formula_sum "Li16 Mn2 O8 Ar1 F3"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_nam... |
ChangeAtomAction | 8635e06c-9d25-46e5-8629-21ecb0126ec3 | mp-1177049 | Change the atom at index 27 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP6O11SO12
_chemical_formula_sum "Li6 Co3 Ni1 P6 O23 S1"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_s... |
ChangeAtomAction | 52f55be7-8c41-4546-97d9-4e47a953cd9d | mp-8829 | Change the atom at index 19 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 Cr4Ga4Se11Ar
_chemical_formula_sum "Cr4 Ga4 Se11 Ar1"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 8109dbdf-5c4c-4f04-baaf-72b818b13625 | mp-1227095 | Change the atom at index 8 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Pd2F8
_chemical_formula_sum "Ca2 Pd2 F8"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca2Pd2F4TmF3
_chemical_formula_sum "Ca2 Pd2 F7 Tm1"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 16e065e0-88f9-4a4d-bc97-2731031e4dd8 | mp-1212808 | Change the atom at index 5 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy5PdDy2Rh2
_chemical_formula_sum "Dy7 Pd1 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
ChangeAtomAction | c25f0221-edbb-4a2c-8e40-82701ec71209 | mp-557871 | 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 Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O6PrO
_chemical_formula_sum "Cu2 As2 Pb2 O7 Pr1"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_s... |
ChangeAtomAction | 201e95b7-b2c6-4f58-9739-78244f9a2c01 | mp-849277 | Change the atom at index 33 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cu2P6H4O20
_chemical_formula_sum "Li4 Cu2 P6 H4 O20"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... | data_image0
_chemical_formula_structural Li4Cu2P6H4O17ClO2
_chemical_formula_sum "Li4 Cu2 P6 H4 O19 Cl1"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.4... |
ChangeAtomAction | ccec6ccb-6486-48e3-b1cb-940f767eb7a0 | mp-1208371 | Change the atom at index 28 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl16MgCl3O4
_chemical_formula_sum "Tl4 N8 Cl19 Mg1 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | b4095b69-1143-4709-bb86-cf7fd31fb35c | mp-758720 | Change the atom at index 4 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5CuF6
_chemical_formula_sum "Li5 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_s... | data_image0
_chemical_formula_structural Li4RfCuF6
_chemical_formula_sum "Li4 Rf1 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.628258629999... |
ChangeAtomAction | c31b6002-3f9d-4609-bedb-7647b8a2a1f7 | mp-1193386 | Change the atom at index 3 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Cr4Fe2O20
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_sp... | data_image0
_chemical_formula_structural Na2CrCnCr2Fe2O20
_chemical_formula_sum "Na2 Cr3 Cn1 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578... |
ChangeAtomAction | 3b4a89c5-35d7-4317-9253-6a65d1a38458 | mp-1223717 | Change the atom at index 8 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6ISi5H4O24
_chemical_formula_sum "K2 Al6 I1 Si5 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.... |
ChangeAtomAction | 08abb2d0-5ef8-477b-baa6-929cc14c1bc2 | mp-754373 | Change the atom at index 16 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group... | data_image0
_chemical_formula_structural Na8Fe4O4LuO7
_chemical_formula_sum "Na8 Fe4 O11 Lu1"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_spac... |
ChangeAtomAction | 125e7e9d-2884-488c-96b8-9f9aa30bc759 | mp-1046426 | Change the atom at index 10 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4CnO15
_chemical_formula_sum "Sr2 V2 Zn2 P4 Cn1 O15"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_ga... |
ChangeAtomAction | f7db9419-b4ee-4121-8ffc-c7fc36f04f26 | mp-27271 | Change the atom at index 26 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10YO27
_chemical_formula_sum "Tl16 Ge10 Y1 O27"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma ... |
ChangeAtomAction | 1c0bc07b-f0e3-4b73-8813-7f69ecd522bc | mp-762830 | Change the atom at index 12 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Li4Mn2Nb3V3ErO15
_chemical_formula_sum "Li4 Mn2 Nb3 V3 Er1 O15"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_ga... |
ChangeAtomAction | 203be71c-3fa5-4f1a-84fc-6a4e696caf38 | mp-1188770 | Change the atom at index 8 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er8NbEr3Co4
_chemical_formula_sum "Er11 Nb1 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
ChangeAtomAction | 7ac223ab-7691-416f-8d70-81ef54a8479b | mp-1197150 | Change the atom at index 12 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Pr16Ge16
_chemical_formula_sum "Li4 Pr16 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 Li4Pr8AsPr7Ge16
_chemical_formula_sum "Li4 Pr15 As1 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 4816d0e5-6dcb-4514-a049-dccab54c5f41 | mp-1078203 | Change the atom at index 0 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Tl2F6
_chemical_formula_sum "Cs2 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... | data_image0
_chemical_formula_structural HeCsTl2F6
_chemical_formula_sum "He1 Cs1 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.