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 |
|---|---|---|---|---|---|
AddAtomAction | 4db7a922-a860-4032-890a-efd97c4a20f2 | mp-28092 | Add one Sb atom at the Cartesian coordinate [12.433 3.711 8.953] to the cif file. | 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 B40H52O2Sb
_chemical_formula_sum "B40 H52 O2 Sb1"
_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_grou... |
AddAtomAction | f377f63f-9b2f-430e-b389-dbfa1d982ac6 | mp-1192809 | Add one Rb atom at the Cartesian coordinate [3.876 3.388 5.332] to the cif file. | 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 Ag4N12O12Rb
_chemical_formula_sum "Ag4 N12 O12 Rb1"
_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"
_sp... |
AddAtomAction | e244b11a-a183-4fa8-ab24-344edb242d4c | mp-651997 | Add one Nd atom at the Cartesian coordinate [4.493 9.215 1.277] to the cif file. | 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 Fe12Ge8O32Nd
_chemical_formula_sum "Fe12 Ge8 O32 Nd1"
_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_n... |
AddAtomAction | 76f42878-f172-4943-bf90-50f62694af17 | mp-1207697 | Add one Cl atom at the Cartesian coordinate [1.421 3.785 0.258] to the cif file. | 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 Zr3CuF6Cl
_chemical_formula_sum "Zr3 Cu1 F6 Cl1"
_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_... |
AddAtomAction | 1463f9bc-401b-4e41-9a27-4052793b1c0f | mp-758762 | Add one Cs atom at the Cartesian coordinate [6.843 2.506 7.978] to the cif file. | 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 Li4Fe4P8O28Cs
_chemical_formula_sum "Li4 Fe4 P8 O28 Cs1"
_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... |
AddAtomAction | ec31ac46-28cb-416e-9119-b66d6a497ec8 | mp-1236434 | Add one Sc atom at the Cartesian coordinate [6.501 3.482 5.672] to the cif file. | 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 Sr4LiMn2Cu3S4O4Sc
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4 Sc1"
_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.... |
AddAtomAction | feef0086-5f85-4ee9-ba87-67b8f0199f81 | mp-1206879 | Add one Co atom at the Cartesian coordinate [5.196 3.779 4.985] to the cif file. | 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 K3AuF6Co
_chemical_formula_sum "K3 Au1 F6 Co1"
_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
_spa... |
AddAtomAction | 58b61e30-5323-498f-9e81-dd972c79e6be | mp-1194493 | Add one S atom at the Cartesian coordinate [-2.052 3.736 3.842] to the cif file. | 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 Pt2S4N2O18S
_chemical_formula_sum "Pt2 S5 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_... |
AddAtomAction | 69f7932b-0eb9-4492-9e11-cadd9d3bb325 | mp-729187 | Add one Zn atom at the Cartesian coordinate [ 6.058 6.39 19.691] to the cif file. | 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 Zn8C16N64O4Zn
_chemical_formula_sum "Zn9 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 ... |
AddAtomAction | eebbd39b-6da0-4cf2-a1d9-5be46be71a6f | mp-3346792 | Add one H atom at the Cartesian coordinate [3.121 4.326 4.362] to the cif file. | data_image0
_chemical_formula_structural H6C6N6O6
_chemical_formula_sum "H6 C6 N6 O6"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_group_na... | data_image0
_chemical_formula_structural H6C6N6O6H
_chemical_formula_sum "H7 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_n... |
AddAtomAction | d3f2add4-7554-4285-b0d0-7ab620445f57 | mp-1336298 | Add one Nb atom at the Cartesian coordinate [7.46 0.229 2.807] to the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Nb
_chemical_formula_sum "Al8 Hg20 Se32 Nb1"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_gr... |
AddAtomAction | bfad148c-1f84-4ad0-80c8-c72b55d6bd86 | mp-1310084 | Add one Hg atom at the Cartesian coordinate [1.577 0.77 0.835] to the cif file. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6Hg
_chemical_formula_sum "Co4 O2 F6 Hg1"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_spa... |
AddAtomAction | 4908d8d2-fc32-420d-9946-84a553e583ae | mp-1076076 | Add one Rf atom at the Cartesian coordinate [2.546 5.559 3.256] to the cif file. | data_image0
_chemical_formula_structural La7SmCo6Cu2O24
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_group_nam... | data_image0
_chemical_formula_structural La7SmCo6Cu2O24Rf
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24 Rf1"
_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_gro... |
AddAtomAction | 2a155e97-9eab-415d-a6ca-2b3f7dd26648 | mp-690607 | Add one Bh atom at the Cartesian coordinate [2.594 3.593 1.738] to the cif file. | data_image0
_chemical_formula_structural K2BaNiN6O12
_chemical_formula_sum "K2 Ba1 Ni1 N6 O12"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.35471982000001... | data_image0
_chemical_formula_structural K2BaNiN6O12Bh
_chemical_formula_sum "K2 Ba1 Ni1 N6 O12 Bh1"
_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 117.35471982... |
AddAtomAction | 3af8acac-c41a-4ef1-8b54-067578d9841d | mp-1111315 | Add one Tl atom at the Cartesian coordinate [6.935 1.149 1.03 ] to the cif file. | data_image0
_chemical_formula_structural Na2TiAgF6
_chemical_formula_sum "Na2 Ti1 Ag1 F6"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Na2TiAgF6Tl
_chemical_formula_sum "Na2 Ti1 Ag1 F6 Tl1"
_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... |
AddAtomAction | 49b95dd5-8c2a-4c0e-9437-c27a02333919 | mp-559270 | Add one Ho atom at the Cartesian coordinate [3.362 1.944 3.473] to the cif file. | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2
_chemical_formula_sum "Rb2 Ba8 Sb6 O2"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_space_g... | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2Ho
_chemical_formula_sum "Rb2 Ba8 Sb6 O2 Ho1"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_s... |
AddAtomAction | d6a21bbd-929c-4cd0-b675-2b1c97342f98 | mp-541574 | Add one Be atom at the Cartesian coordinate [2.304 2.358 7.82 ] to the cif file. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ba4Y8Co4O20Be
_chemical_formula_sum "Ba4 Y8 Co4 O20 Be1"
_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"... |
AddAtomAction | 2cbb6230-b96e-446b-b21e-354e39fbd417 | mp-1336298 | Add one Fm atom at the Cartesian coordinate [-3.065 4.168 16.172] to the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Fm
_chemical_formula_sum "Al8 Hg20 Se32 Fm1"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_gr... |
AddAtomAction | e32a642d-763b-4f1d-8639-06e568921209 | mp-1103066 | Add one Li atom at the Cartesian coordinate [0.547 0.576 1.921] to the cif file. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Sm4Si4Pd4Li
_chemical_formula_sum "Sm4 Si4 Pd4 Li1"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | f664e21d-de49-4b99-b6f8-b38054e7b026 | mp-1205450 | Add one Bi atom at the Cartesian coordinate [ 4.613 2.633 10.344] to the cif file. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pu8Se12Bi
_chemical_formula_sum "Pu8 Se12 Bi1"
_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"
_... |
AddAtomAction | e5856a23-c494-4faf-90e1-b3440dc1fba5 | mp-1197288 | Add one Au atom at the Cartesian coordinate [ 5.498 -1.509 10.385] to the cif file. | data_image0
_chemical_formula_structural Cs4Se12O36
_chemical_formula_sum "Cs4 Se12 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs4Se12O36Au
_chemical_formula_sum "Cs4 Se12 O36 Au1"
_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 ... |
AddAtomAction | bca76c4f-c5a9-4298-9acc-54e4f30d7d00 | mp-23977 | Add one Pu atom at the Cartesian coordinate [2.768 2.845 9.106] to the cif file. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H4S28N4Pu
_chemical_formula_sum "H4 S28 N4 Pu1"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
AddAtomAction | 881665b5-b25f-4826-b353-21b878bbca76 | mp-1204342 | Add one Db atom at the Cartesian coordinate [0.642 6.337 2.81 ] to the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Db
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32 Db1"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
AddAtomAction | 9abea8c7-0540-4b57-be6b-e9e64cc85561 | mp-29082 | Add one Lv atom at the Cartesian coordinate [2.852 5.514 5.423] to the cif file. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba10Cr2N10Lv
_chemical_formula_sum "Ba10 Cr2 N10 Lv1"
_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 96.0779043... |
AddAtomAction | 6059e618-bca2-42c5-9f36-48b1a3fb9d54 | mp-1522139 | Add one Nd atom at the Cartesian coordinate [6.696 5.508 3.115] to the cif file. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6Nd
_chemical_formula_sum "Ca2 Hf1 Zr1 O6 Nd1"
_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... |
AddAtomAction | d2d295ca-b882-42cf-9bde-7abf8a007ad3 | mp-776358 | Add one Ra atom at the Cartesian coordinate [9.112 6.258 4.817] to the cif file. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32Ra
_chemical_formula_sum "Li8 Mn4 C8 S2 O32 Ra1"
_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.... |
AddAtomAction | 109bf5e9-67c6-4299-a933-1c41a8a1bac5 | mp-650023 | Add one Sg atom at the Cartesian coordinate [0.416 2.288 0.863] to the cif file. | data_image0
_chemical_formula_structural K4Pd2C8S8N8
_chemical_formula_sum "K4 Pd2 C8 S8 N8"
_cell_length_a 13.222705
_cell_length_b 4.364295
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.84034383999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K4Pd2C8S8N8Sg
_chemical_formula_sum "K4 Pd2 C8 S8 N8 Sg1"
_cell_length_a 13.222705
_cell_length_b 4.364295
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.84034383999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
AddAtomAction | 78a21971-07d1-4a2a-91db-ceaa2f63afb8 | mp-1198968 | Add one I atom at the Cartesian coordinate [0.642 4.492 7.941] to the cif file. | data_image0
_chemical_formula_structural Be8P8Pb4O32
_chemical_formula_sum "Be8 P8 Pb4 O32"
_cell_length_a 9.12496
_cell_length_b 8.178792
_cell_length_c 8.49386858
_cell_angle_alpha 89.89024316000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be8P8Pb4O32I
_chemical_formula_sum "Be8 P8 Pb4 O32 I1"
_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_... |
AddAtomAction | 377cccd4-b8a2-4d79-bc1f-4da4d0819773 | mp-1111072 | Add one Be atom at the Cartesian coordinate [4.11 3.249 0.613] to the cif file. | data_image0
_chemical_formula_structural Li3MnF6
_chemical_formula_sum "Li3 Mn1 F6"
_cell_length_a 5.489198
_cell_length_b 5.48919807
_cell_length_c 5.489197679999999
_cell_angle_alpha 59.99999793999999
_cell_angle_beta 59.99999808999998
_cell_angle_gamma 60.00000045
_spa... | data_image0
_chemical_formula_structural Li3MnF6Be
_chemical_formula_sum "Li3 Mn1 F6 Be1"
_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... |
AddAtomAction | 5839e0bd-351c-43af-b72c-16c4de33120e | mp-1176871 | Add one Eu atom at the Cartesian coordinate [11.709 4.768 13.071] to the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58Eu
_chemical_formula_sum "Li14 V6 P16 O58 Eu1"
_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... |
AddAtomAction | 42668c44-8164-4e7e-a8b4-9f90094394ef | mp-759128 | Add one Md atom at the Cartesian coordinate [14.038 5.098 7.44 ] to the cif file. | data_image0
_chemical_formula_structural Li6Sb4P6O24
_chemical_formula_sum "Li6 Sb4 P6 O24"
_cell_length_a 8.8375326
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gamma 63.30265871999998
_space_gr... | data_image0
_chemical_formula_structural Li6Sb4P6O24Md
_chemical_formula_sum "Li6 Sb4 P6 O24 Md1"
_cell_length_a 8.8375326
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gamma 63.30265871999998
_sp... |
AddAtomAction | a9a0d4dd-16a2-4950-9a13-00a9c5c0a06f | mp-559041 | Add one Pr atom at the Cartesian coordinate [5.102 3.292 3.502] to the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4Pr
_chemical_formula_sum "Tl2 Mo4 Cl14 O4 Pr1"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_spac... |
AddAtomAction | 6f67dbb2-cd2d-491e-a3de-fee1dff9ee4f | mp-18245 | Add one Ti atom at the Cartesian coordinate [4.965 6.601 3.394] to the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Na4Co4P4O16Ti
_chemical_formula_sum "Na4 Co4 P4 O16 Ti1"
_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"... |
AddAtomAction | 789f4ebf-a418-4087-9e5b-d092e9d74fb2 | mp-1207451 | Add one Md atom at the Cartesian coordinate [5.622 1.249 8.4 ] to the cif file. | data_image0
_chemical_formula_structural Zn4Cu8B8O24
_chemical_formula_sum "Zn4 Cu8 B8 O24"
_cell_length_a 14.932995
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Zn4Cu8B8O24Md
_chemical_formula_sum "Zn4 Cu8 B8 O24 Md1"
_cell_length_a 14.932995
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
AddAtomAction | 2634f954-4a35-4a03-a66b-6662a98651f5 | mp-1176457 | Add one Cm atom at the Cartesian coordinate [6.179 5.616 3.397] to the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10Cm
_chemical_formula_sum "Mn6 O2 F10 Cm1"
_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... |
AddAtomAction | 62fc3e9d-24b5-4891-9a2d-1236e88e0aaa | mp-1209764 | Add one Hf atom at the Cartesian coordinate [4.062 7.294 2.701] to the cif file. | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12
_chemical_formula_sum "Pr4 Ni2 Pt2 O12"
_cell_length_a 5.805015
_cell_length_b 5.516006
_cell_length_c 9.629747
_cell_angle_alpha 54.99066571
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12Hf
_chemical_formula_sum "Pr4 Ni2 Pt2 O12 Hf1"
_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... |
AddAtomAction | 63f05b1e-92b4-4baa-9555-8f9fec50e94c | mp-763429 | Add one Bi atom at the Cartesian coordinate [0.452 2.285 3.441] to the cif file. | data_image0
_chemical_formula_structural LiFeCo2O6
_chemical_formula_sum "Li1 Fe1 Co2 O6"
_cell_length_a 6.54234775
_cell_length_b 2.88058675
_cell_length_c 5.941892660000001
_cell_angle_alpha 89.98781491000001
_cell_angle_beta 104.92589905999999
_cell_angle_gamma 77.28999... | data_image0
_chemical_formula_structural LiFeCo2O6Bi
_chemical_formula_sum "Li1 Fe1 Co2 O6 Bi1"
_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... |
AddAtomAction | 9686cfd7-6720-4e36-a924-d562f1f2e2f5 | mp-17335 | Add one Lr atom at the Cartesian coordinate [4.49 5.202 4.67 ] to the cif file. | data_image0
_chemical_formula_structural Er2Ag2W4O16
_chemical_formula_sum "Er2 Ag2 W4 O16"
_cell_length_a 7.3780097
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamma 94.60728295
_space_group_name... | data_image0
_chemical_formula_structural Er2Ag2W4O16Lr
_chemical_formula_sum "Er2 Ag2 W4 O16 Lr1"
_cell_length_a 7.3780097
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamma 94.60728295
_space_grou... |
AddAtomAction | 7f19cc18-3dac-4586-abb6-f428e47798e2 | mp-768152 | Add one Am atom at the Cartesian coordinate [0.672 5.733 2.498] to the cif file. | data_image0
_chemical_formula_structural Na2Zr2P2C2O14
_chemical_formula_sum "Na2 Zr2 P2 C2 O14"
_cell_length_a 6.683711
_cell_length_b 5.793755
_cell_length_c 9.35326136
_cell_angle_alpha 87.59197392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Zr2P2C2O14Am
_chemical_formula_sum "Na2 Zr2 P2 C2 O14 Am1"
_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-... |
AddAtomAction | 7fdfab0d-8c45-43e6-96f1-c35726788a7c | mp-569862 | Add one Ta atom at the Cartesian coordinate [ 1.269 6.834 12.891] to the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Ta
_chemical_formula_sum "Rb8 P4 Se18 Ta1"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7... |
AddAtomAction | 2d291171-1750-46f6-b461-2c6c1335da0b | mp-774323 | Add one Cs atom at the Cartesian coordinate [4.489 3.205 1.848] to the cif file. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P8O28Cs
_chemical_formula_sum "Li4 Mn1 V3 P8 O28 Cs1"
_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... |
AddAtomAction | c9954c85-5a6f-4107-8311-ce26ded2e1b7 | mp-766529 | Add one Zr atom at the Cartesian coordinate [1.501 0.344 5.645] to the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Fe4Si4O16Zr
_chemical_formula_sum "Li4 Fe4 Si4 O16 Zr1"
_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 ... |
AddAtomAction | 091f273c-5ef8-4d7d-a8f1-4a1c42379d18 | mp-2228376 | Add one Bi atom at the Cartesian coordinate [ 8.876 11.905 3.297] to the cif file. | data_image0
_chemical_formula_structural MgMnSb4O12
_chemical_formula_sum "Mg1 Mn1 Sb4 O12"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 9.63359379
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_cell_angle_gamma 57.964617460... | data_image0
_chemical_formula_structural MgMnSb4O12Bi
_chemical_formula_sum "Mg1 Mn1 Sb4 O12 Bi1"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 9.63359379
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_cell_angle_gamma 57.964... |
AddAtomAction | b840ff15-66ab-44e4-a983-2b89d66a5637 | mp-1105068 | Add one Ce atom at the Cartesian coordinate [ 2.964 -2.171 4.226] to the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7Ce
_chemical_formula_sum "Ba1 Y1 Fe4 O7 Ce1"
_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... |
AddAtomAction | c9902f80-bd45-4c7b-8bab-9a9b5c4c0e57 | mp-705430 | Add one Mt atom at the Cartesian coordinate [-0.558 4.023 4.125] to the cif file. | data_image0
_chemical_formula_structural Mn24O48
_chemical_formula_sum "Mn24 O48"
_cell_length_a 5.84821856
_cell_length_b 5.84821856
_cell_length_c 28.638432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn24O48Mt
_chemical_formula_sum "Mn24 O48 Mt1"
_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... |
AddAtomAction | dfb4f78f-a51e-42e1-92ba-32457d4b5c5b | mp-1097054 | Add one Tm atom at the Cartesian coordinate [5.119 5.38 7.728] to the cif file. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural K4Ce8Fe4O24Tm
_chemical_formula_sum "K4 Ce8 Fe4 O24 Tm1"
_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... |
AddAtomAction | 639a6d40-65ae-4bf3-8ab4-e5f60c22bd6e | mp-1233358 | Add one Ag atom at the Cartesian coordinate [5.942 0.375 9.165] to the cif file. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11FAg
_chemical_formula_sum "Ca1 V6 O11 F1 Ag1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_sp... |
AddAtomAction | ffc87aa9-29e4-4da1-a7e8-f74424935134 | mp-760314 | Add one Ne atom at the Cartesian coordinate [3.592 2.039 9.289] to the cif file. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19Ne
_chemical_formula_sum "V6 O5 F19 Ne1"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_spa... |
AddAtomAction | 13cb5d85-784f-4417-8626-c1e584f9cc60 | mp-606949 | Add one Cf atom at the Cartesian coordinate [ 1.043 0.542 18.607] to the cif file. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C12Cf
_chemical_formula_sum "C12 Cf1"
_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... |
AddAtomAction | a7302909-6a4b-4ddd-90b3-c92c93a1be02 | mp-759863 | Add one Pt atom at the Cartesian coordinate [5.946 4.564 4.848] to the cif file. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6Pt
_chemical_formula_sum "Na4 V2 O6 Pt1"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_gro... |
AddAtomAction | 8fc1e81d-b631-40ce-b902-85b1228c8a35 | mp-850249 | Add one Kr atom at the Cartesian coordinate [2.778 2.433 4.097] to the cif file. | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... | data_image0
_chemical_formula_structural Fe8S10Kr
_chemical_formula_sum "Fe8 S10 Kr1"
_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... |
AddAtomAction | 072d60b4-b9f4-4fc6-a9ef-7bd305259d94 | mp-864652 | Add one Ru atom at the Cartesian coordinate [0.493 3.085 1.579] to the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Al2S14
_chemical_formula_sum "Nd6 Mn2 Al2 S14"
_cell_length_a 10.00314552
_cell_length_b 10.00314552
_cell_length_c 6.111433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999682999999
_space_group_name_... | data_image0
_chemical_formula_structural Nd6Mn2Al2S14Ru
_chemical_formula_sum "Nd6 Mn2 Al2 S14 Ru1"
_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... |
AddAtomAction | e878b4c9-2b2a-477d-a3e1-f2ba52261672 | mp-1194542 | Add one Fr atom at the Cartesian coordinate [0.246 1.165 0.611] to the cif file. | data_image0
_chemical_formula_structural Ce4Al32Co8
_chemical_formula_sum "Ce4 Al32 Co8"
_cell_length_a 3.98553243
_cell_length_b 12.34172752
_cell_length_c 14.25046222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce4Al32Co8Fr
_chemical_formula_sum "Ce4 Al32 Co8 Fr1"
_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 ... |
AddAtomAction | 0c537f43-f63f-478b-a717-5c7233fd816a | mp-1073136 | Add one H atom at the Cartesian coordinate [15.967 2.885 2.525] to the cif file. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6H
_chemical_formula_sum "Mg4 Si6 H1"
_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_a... |
AddAtomAction | ad77933e-c9ca-41d2-a643-df5f9ded704a | mp-1179984 | Add one Ho atom at the Cartesian coordinate [ 2.631 -0.032 1.8 ] to the cif file. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8Ho
_chemical_formula_sum "Pt4 Br12 N8 Ho1"
_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... |
AddAtomAction | 3c26eac3-0f01-447b-8307-49c8f1efd9bb | mp-655140 | Add one La atom at the Cartesian coordinate [7.968 5.276 0.744] to the cif file. | data_image0
_chemical_formula_structural Mn4Ag4O16
_chemical_formula_sum "Mn4 Ag4 O16"
_cell_length_a 9.420549
_cell_length_b 6.103708
_cell_length_c 8.35696319
_cell_angle_alpha 52.25614115
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4Ag4O16La
_chemical_formula_sum "Mn4 Ag4 O16 La1"
_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 "... |
AddAtomAction | 02076ce8-b2de-49c9-b29f-77bf6c1124ca | mp-768416 | Add one Ts atom at the Cartesian coordinate [ 3.283 15.036 4.343] to the cif file. | data_image0
_chemical_formula_structural Ba8Y8Br40
_chemical_formula_sum "Ba8 Y8 Br40"
_cell_length_a 9.873755
_cell_length_b 14.535612
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba8Y8Br40Ts
_chemical_formula_sum "Ba8 Y8 Br40 Ts1"
_cell_length_a 9.873755
_cell_length_b 14.535612
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | cbcb0677-50c2-4f26-a792-dd9381122de6 | mp-1074233 | Add one Co atom at the Cartesian coordinate [3.109 6.633 7.479] to the cif file. | data_image0
_chemical_formula_structural Mg8Si14
_chemical_formula_sum "Mg8 Si14"
_cell_length_a 3.950515
_cell_length_b 6.859053
_cell_length_c 14.93747589
_cell_angle_alpha 77.51700546
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg8Si14Co
_chemical_formula_sum "Mg8 Si14 Co1"
_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"... |
AddAtomAction | 4a85912c-7f30-4350-93a8-87be4aa8c3aa | mp-772788 | Add one Pd atom at the Cartesian coordinate [0.273 5.142 7.407] to the cif file. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba8Cu8O20Pd
_chemical_formula_sum "Ba8 Cu8 O20 Pd1"
_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... |
AddAtomAction | 7cc873a8-3cce-4a97-bf00-0e0f683544a4 | mp-1195832 | Add one I atom at the Cartesian coordinate [0.075 3.286 6.639] to the cif file. | data_image0
_chemical_formula_structural Si2H24N8F8
_chemical_formula_sum "Si2 H24 N8 F8"
_cell_length_a 5.4604596
_cell_length_b 5.4604596
_cell_length_c 13.679973
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01468179
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Si2H24N8F8I
_chemical_formula_sum "Si2 H24 N8 F8 I1"
_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 ... |
AddAtomAction | ddc280e9-0573-483c-afc9-f71019895c45 | mp-569606 | Add one Hf atom at the Cartesian coordinate [5.038 6.794 5.963] to the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10Hf
_chemical_formula_sum "Nd6 Mn2 Bi10 Hf1"
_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... |
AddAtomAction | 0530e93b-368b-4c1a-9780-0a00b858e1f3 | mp-997504 | Add one Ni atom at the Cartesian coordinate [0.148 2.776 2.702] to the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10Ni
_chemical_formula_sum "Cu6 O2 F10 Ni1"
_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
... |
AddAtomAction | 807c8786-29cd-40fd-b30c-8da76707a831 | mp-1202419 | Add one Zr atom at the Cartesian coordinate [1.379 4.512 0.2 ] to the cif file. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26Zr
_chemical_formula_sum "Ca2 Re4 C10 N20 O26 Zr1"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1... |
AddAtomAction | dc262aa3-d8a4-4b14-990e-70b5908244ac | mp-1217519 | Add one Bh atom at the Cartesian coordinate [5.442 1.044 2.736] to the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Bh
_chemical_formula_sum "Th2 V4 Pb2 O16 Bh1"
_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
_... |
AddAtomAction | a91b7e5a-d02c-4123-99cf-d1388c19fbb6 | mp-764512 | Add one No atom at the Cartesian coordinate [-0.424 -0.38 5.841] to the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24No
_chemical_formula_sum "Li5 Fe8 B8 O24 No1"
_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
... |
AddAtomAction | 2a53edb9-c6f2-4046-8d40-0aa66130453a | mp-1190970 | Add one Bk atom at the Cartesian coordinate [-4.059 3.429 8.614] to the cif file. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14Bk
_chemical_formula_sum "Dy6 Re2 B14 Bk1"
_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 ... |
AddAtomAction | 022558f3-cdb6-4c8f-ba65-afbb1eff6cad | mp-752981 | Add one Lv atom at the Cartesian coordinate [6.722 3.507 5.902] to the cif file. | data_image0
_chemical_formula_structural Li3Fe2Ni3O10
_chemical_formula_sum "Li3 Fe2 Ni3 O10"
_cell_length_a 5.048014
_cell_length_b 5.06923991
_cell_length_c 7.69817601
_cell_angle_alpha 71.25298105
_cell_angle_beta 70.93406166
_cell_angle_gamma 79.69884346
_space_group_... | data_image0
_chemical_formula_structural Li3Fe2Ni3O10Lv
_chemical_formula_sum "Li3 Fe2 Ni3 O10 Lv1"
_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_... |
AddAtomAction | a6f6bb75-05eb-43fb-bd55-ef5aaece83be | mp-1035975 | Add one Mt atom at the Cartesian coordinate [0.629 6.836 3.582] to the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural YMg14SnO16Mt
_chemical_formula_sum "Y1 Mg14 Sn1 O16 Mt1"
_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"... |
AddAtomAction | 7f3a8bdd-2ae6-482c-bfdc-794fe32ab452 | mp-1245016 | Add one Tl atom at the Cartesian coordinate [10.166 2.588 2.247] to the cif file. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O48Tl
_chemical_formula_sum "Cr24 Fe8 O48 Tl1"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_sp... |
AddAtomAction | 199ced16-8fca-4c7f-811f-089ffb51a6ba | mp-762067 | Add one Cs atom at the Cartesian coordinate [2.031 7.795 3.103] to the cif file. | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O32"
_cell_length_a 6.0189181
_cell_length_b 10.36298234
_cell_length_c 10.54535638
_cell_angle_alpha 89.79099985000002
_cell_angle_beta 89.60494715999998
_cell_angle_gamma 89.758... | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32Cs
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O32 Cs1"
_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 ... |
AddAtomAction | ad99b6db-59c2-424b-a8b3-48781a06e8c9 | mp-1175286 | Add one Ds atom at the Cartesian coordinate [2.5 1.496 0.378] to the cif file. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 3.011831
_cell_length_b 7.836913590000001
_cell_length_c 10.1632771
_cell_angle_alpha 111.10427026
_cell_angle_beta 91.87023879000002
_cell_angle_gamma 96.3936555499... | data_image0
_chemical_formula_structural Li7Mn4CoO12Ds
_chemical_formula_sum "Li7 Mn4 Co1 O12 Ds1"
_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... |
AddAtomAction | e4da4fd1-0c32-4c77-abe6-1af1d3fb4a51 | mp-768283 | Add one Hs atom at the Cartesian coordinate [7.149 7.85 2.44 ] to the cif file. | data_image0
_chemical_formula_structural U2As4H12O22
_chemical_formula_sum "U2 As4 H12 O22"
_cell_length_a 8.08597326
_cell_length_b 8.08597326
_cell_length_c 9.104081889999998
_cell_angle_alpha 62.303679679999995
_cell_angle_beta 62.303679679999995
_cell_angle_gamma 68.58... | data_image0
_chemical_formula_structural U2As4H12O22Hs
_chemical_formula_sum "U2 As4 H12 O22 Hs1"
_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 ... |
AddAtomAction | 006a09a6-9d51-462c-baed-b94373e5503c | mp-774074 | Add one Sc atom at the Cartesian coordinate [16.737 6.054 4.291] to the cif file. | data_image0
_chemical_formula_structural Na4Sb8O22
_chemical_formula_sum "Na4 Sb8 O22"
_cell_length_a 10.5889115
_cell_length_b 10.5889115
_cell_length_c 7.26848624
_cell_angle_alpha 85.04279527
_cell_angle_beta 85.04279527
_cell_angle_gamma 42.32207167000001
_space_group... | data_image0
_chemical_formula_structural Na4Sb8O22Sc
_chemical_formula_sum "Na4 Sb8 O22 Sc1"
_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... |
AddAtomAction | 4cf06b43-85bb-4d14-9b73-9baab06dba39 | mp-773086 | Add one Be atom at the Cartesian coordinate [10.103 8.516 2.66 ] to the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.24481563
_cell_length_b 10.52200863
_cell_length_c 6.244511720000001
_cell_angle_alpha 72.82187626
_cell_angle_beta 60.02867977
_cell_angle_gamma 72.82830686
_sp... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16Be
_chemical_formula_sum "Li8 Mn6 Sb2 O16 Be1"
_cell_length_a 6.24481563
_cell_length_b 10.52200863
_cell_length_c 6.244511720000001
_cell_angle_alpha 72.82187626
_cell_angle_beta 60.02867977
_cell_angle_gamma 72.8283068... |
AddAtomAction | baef3fd9-04e0-4804-bae1-0c3faff74617 | mp-1036083 | Add one Mo atom at the Cartesian coordinate [0.744 4.557 0.628] to the cif file. | data_image0
_chemical_formula_structural Mg14MnBO16
_chemical_formula_sum "Mg14 Mn1 B1 O16"
_cell_length_a 8.533673
_cell_length_b 8.533673
_cell_length_c 4.249207
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg14MnBO16Mo
_chemical_formula_sum "Mg14 Mn1 B1 O16 Mo1"
_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"... |
AddAtomAction | ccb3ab95-f45d-4220-b583-38499146b066 | mp-780696 | Add one Nb atom at the Cartesian coordinate [6.719 0.638 3.448] to the cif file. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20Nb
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20 Nb1"
_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
... |
AddAtomAction | 1ebf2d3c-f076-4318-830a-6112dedd315c | mp-559286 | Add one Er atom at the Cartesian coordinate [4.842 3.29 1.346] to the cif file. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24Er
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24 Er1"
_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... |
AddAtomAction | 5df4348e-e001-448d-a944-03ede7bae96c | mp-753161 | Add one Po atom at the Cartesian coordinate [2.264 6.209 1.369] to the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8Po
_chemical_formula_sum "Li8 V4 O8 F8 Po1"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_s... |
AddAtomAction | b77c667d-c035-4482-a483-53813c1c7535 | mp-672986 | Add one Ts atom at the Cartesian coordinate [0.088 8.332 6.041] to the cif file. | data_image0
_chemical_formula_structural Sn4P4O16
_chemical_formula_sum "Sn4 P4 O16"
_cell_length_a 10.399244
_cell_length_b 5.726796
_cell_length_c 8.710093159999998
_cell_angle_alpha 52.21135899999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sn4P4O16Ts
_chemical_formula_sum "Sn4 P4 O16 Ts1"
_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_... |
AddAtomAction | 7d843968-69f5-4da7-8444-944b0aa5f4b1 | mp-756638 | Add one Sm atom at the Cartesian coordinate [1.724 1.817 0.027] to the cif file. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8Sm
_chemical_formula_sum "Nb2 Rh2 O8 Sm1"
_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... |
AddAtomAction | 53815717-0ab8-4b45-8184-26c285fdcaae | mp-1073590 | Add one Pa atom at the Cartesian coordinate [0.195 5.469 8.16 ] to the cif file. | data_image0
_chemical_formula_structural Mg8Si16
_chemical_formula_sum "Mg8 Si16"
_cell_length_a 6.315551
_cell_length_b 6.498333819999999
_cell_length_c 11.109406969999998
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_angle_gamma 88.95451084... | data_image0
_chemical_formula_structural Mg8Si16Pa
_chemical_formula_sum "Mg8 Si16 Pa1"
_cell_length_a 6.315551
_cell_length_b 6.498333819999999
_cell_length_c 11.109406969999998
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_angle_gamma 88.95... |
AddAtomAction | 0e030901-3b92-4382-b4cd-b72b2cadc8e2 | mp-1179444 | Add one Gd atom at the Cartesian coordinate [ 7.119 11.5 9.969] to the cif file. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8Gd
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8 Gd1"
_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_... |
AddAtomAction | b6c081d5-55d7-47ee-becf-efebc4f26445 | mp-1223166 | Add one Ge atom at the Cartesian coordinate [0.094 2.99 2.431] to the cif file. | data_image0
_chemical_formula_structural La4FeNi3O12
_chemical_formula_sum "La4 Fe1 Ni3 O12"
_cell_length_a 5.461621
_cell_length_b 5.55560827
_cell_length_c 7.79621485
_cell_angle_alpha 89.87058872
_cell_angle_beta 88.50660265
_cell_angle_gamma 89.98197263000002
_space_g... | data_image0
_chemical_formula_structural La4FeNi3O12Ge
_chemical_formula_sum "La4 Fe1 Ni3 O12 Ge1"
_cell_length_a 5.461621
_cell_length_b 5.55560827
_cell_length_c 7.79621485
_cell_angle_alpha 89.87058872
_cell_angle_beta 88.50660265
_cell_angle_gamma 89.98197263000002
_s... |
AddAtomAction | d0f1430e-04cb-4daf-9a90-f6eba6e5eb50 | mp-1030158 | Add one Zr atom at the Cartesian coordinate [ 0.635 1.621 25.585] to the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Zr
_chemical_formula_sum "Te4 Mo1 W3 Se4 Zr1"
_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... |
AddAtomAction | d81f07f7-1423-4244-a0f1-e826445dcdd4 | mp-1173920 | Add one I atom at the Cartesian coordinate [2.561 4.571 4.559] to the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8I
_chemical_formula_sum "Li4 Mn2 Co2 O8 I1"
_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
_spa... |
AddAtomAction | 0ad74e9c-4211-4a83-8276-f3235133afc5 | mp-1517518 | Add one Pd atom at the Cartesian coordinate [7.132 4.78 3.763] to the cif file. | data_image0
_chemical_formula_structural BaCeEuCrO6
_chemical_formula_sum "Ba1 Ce1 Eu1 Cr1 O6"
_cell_length_a 5.8690142
_cell_length_b 5.8690142
_cell_length_c 5.869014199999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural BaCeEuCrO6Pd
_chemical_formula_sum "Ba1 Ce1 Eu1 Cr1 O6 Pd1"
_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 ... |
AddAtomAction | 5987400c-72b6-4093-ab81-2f2dd2207787 | mp-1239078 | Add one Na atom at the Cartesian coordinate [8.499 3.072 1.39 ] to the cif file. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ho8Bi16C8Na
_chemical_formula_sum "Ho8 Bi16 C8 Na1"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 801defca-b28f-4788-b04e-ed102bae0a9b | mp-561527 | Add one Ir atom at the Cartesian coordinate [5.11 6.246 3.849] to the cif file. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S36Ir
_chemical_formula_sum "Rb6 Zr4 P10 S36 Ir1"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_spac... |
AddAtomAction | 81b76a62-f021-4b2d-af2b-b752cd09d270 | mp-1245478 | Add one V atom at the Cartesian coordinate [0.616 1.048 0.297] to the cif file. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12V
_chemical_formula_sum "Cr4 Fe8 N12 V1"
_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_n... |
AddAtomAction | 861bfff9-edba-4e66-b76b-217a6ce4a8ee | mp-1033433 | Add one Lr atom at the Cartesian coordinate [6.043 1.851 0.715] to the cif file. | data_image0
_chemical_formula_structural SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural SrMg6NbO8Lr
_chemical_formula_sum "Sr1 Mg6 Nb1 O8 Lr1"
_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 "... |
AddAtomAction | 0aa8e4f6-bf7d-423f-9d6e-3546a266c566 | mp-1518584 | Add one Np atom at the Cartesian coordinate [1.385 1.682 3.775] to the cif file. | data_image0
_chemical_formula_structural SmDyCo4O12
_chemical_formula_sum "Sm1 Dy1 Co4 O12"
_cell_length_a 5.2469997
_cell_length_b 5.2469997
_cell_length_c 7.48993786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural SmDyCo4O12Np
_chemical_formula_sum "Sm1 Dy1 Co4 O12 Np1"
_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 "... |
AddAtomAction | 81d9a663-be8d-4f7d-8239-4b0ddba83885 | mp-2222843 | Add one Sg atom at the Cartesian coordinate [-0.829 2.443 2.733] to the cif file. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6Sg
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6 Sg1"
_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... |
AddAtomAction | 70e8b222-a687-4fc0-9cb5-fff6fedc5544 | mp-768873 | Add one Ni atom at the Cartesian coordinate [5.073 4.373 4.059] to the cif file. | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y8Ge4O20Ni
_chemical_formula_sum "Y8 Ge4 O20 Ni1"
_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_... |
AddAtomAction | 8976fac5-9598-47c6-9894-d42e7f00fe29 | mp-1246911 | Add one Ne atom at the Cartesian coordinate [2.236 6.598 0.464] to the cif file. | data_image0
_chemical_formula_structural Mn4Pb4N8
_chemical_formula_sum "Mn4 Pb4 N8"
_cell_length_a 5.843427
_cell_length_b 7.69255
_cell_length_c 5.283936
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Mn4Pb4N8Ne
_chemical_formula_sum "Mn4 Pb4 N8 Ne1"
_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_... |
AddAtomAction | 898d1d09-9adc-4840-95e7-a65e3f6a86d6 | mp-778104 | Add one F atom at the Cartesian coordinate [1.809 1.757 2.532] to the cif file. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Na8V8O20F
_chemical_formula_sum "Na8 V8 O20 F1"
_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_... |
AddAtomAction | 9345031c-9693-42dc-9428-b4543ac7a0a6 | mp-1032803 | Add one H atom at the Cartesian coordinate [4.896 1.212 1.56 ] to the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mg6MnZnO8H
_chemical_formula_sum "Mg6 Mn1 Zn1 O8 H1"
_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 ... |
AddAtomAction | a8c8eb28-b612-4dda-8337-20c2dd5d9b2c | mp-708997 | Add one Hs atom at the Cartesian coordinate [2.888 3.644 8.172] to the cif file. | data_image0
_chemical_formula_structural H52C12N4F16
_chemical_formula_sum "H52 C12 N4 F16"
_cell_length_a 7.739209
_cell_length_b 9.434008839999999
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.75593377999999
_cell_angle_gamma 90.7324... | data_image0
_chemical_formula_structural H52C12N4F16Hs
_chemical_formula_sum "H52 C12 N4 F16 Hs1"
_cell_length_a 7.739209
_cell_length_b 9.434008839999999
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.75593377999999
_cell_angle_gamma 9... |
AddAtomAction | ae91e106-c981-4cdf-b57d-b7ac74541ffe | mp-1210133 | Add one V atom at the Cartesian coordinate [5.262 6.502 1.153] to the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28V
_chemical_formula_sum "Na4 Ga4 P8 O28 V1"
_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 ... |
AddAtomAction | c434debe-2520-43c2-bc54-51b35694591d | mp-1226187 | Add one No atom at the Cartesian coordinate [5.353 1.089 5.109] to the cif file. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16No
_chemical_formula_sum "Cs3 Rb5 Se4 O16 No1"
_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-... |
AddAtomAction | 9d939ead-8655-41f4-b5b5-364f5d12c41f | mp-774789 | Add one Rn atom at the Cartesian coordinate [ 5.874 -3.405 8.935] to the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32Rn
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32 Rn1"
_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... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.