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 | c5f340cf-208e-4722-b8e1-dd075a859936 | mp-753525 | Add one Fl atom at the Cartesian coordinate [5.337 4.533 2.464] to the cif file. | data_image0
_chemical_formula_structural V4O4F12
_chemical_formula_sum "V4 O4 F12"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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_n... | data_image0
_chemical_formula_structural V4O4F12Fl
_chemical_formula_sum "V4 O4 F12 Fl1"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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... |
AddAtomAction | 144c89bc-5117-44bc-8aaa-458728089bef | mp-753610 | Add one Br atom at the Cartesian coordinate [8.17 1.75 0.239] to the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8Br
_chemical_formula_sum "Ba2 Ca2 I8 Br1"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M... |
AddAtomAction | 490a39e9-b616-4961-8d76-1614ff22a84f | mp-30276 | Add one Kr atom at the Cartesian coordinate [9.913 1.111 5.331] to the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8Kr
_chemical_formula_sum "Ce20 Ga10 Cl8 Kr1"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467... |
AddAtomAction | 726e464e-2f57-4d9e-b36a-b051511eed14 | mp-887412 | Add one Ba atom at the Cartesian coordinate [5.051 3.827 3.962] to the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Ba
_chemical_formula_sum "Li12 Mn2 V6 P12 O48 Ba1"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
... |
AddAtomAction | 2735b9e0-0150-44cb-84a7-18cabae720bd | mp-6268 | Add one Sc atom at the Cartesian coordinate [1.154 0.419 7.046] to the cif file. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti8P8O40Sc
_chemical_formula_sum "K8 Ti8 P8 O40 Sc1"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 1463675d-7744-4d7b-b31a-5eb435c0fcc5 | mp-756993 | Add one Fe atom at the Cartesian coordinate [0.67 6.303 4.473] to the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Fe
_chemical_formula_sum "Li4 Co2 P4 O14 Fe1"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
... |
AddAtomAction | 9cde056f-0984-4d20-9fb0-d5d7c680276b | mp-1074681 | Add one Bh atom at the Cartesian coordinate [7.405 3.196 4.549] to the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4Bh
_chemical_formula_sum "Mg8 Si4 Bh1"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_grou... |
AddAtomAction | 78f16f96-897c-4333-9575-c7d9e43fd157 | mp-1329603 | Add one Os atom at the Cartesian coordinate [-1.374 0.727 21.645] to the cif file. | data_image0
_chemical_formula_structural Co25Ru5O40
_chemical_formula_sum "Co25 Ru5 O40"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_space_gro... | data_image0
_chemical_formula_structural Co25Ru5O40Os
_chemical_formula_sum "Co25 Ru5 O40 Os1"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_spa... |
AddAtomAction | 76ddd88e-da61-416e-9638-83fdd3a6f7b5 | mp-1214345 | Add one Y atom at the Cartesian coordinate [6.862 3.363 2.858] to the cif file. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si24Pt10Y
_chemical_formula_sum "Ba2 Si24 Pt10 Y1"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.656666749... |
AddAtomAction | b7338ba9-2368-4c52-aed7-af9fdb988503 | mp-1195020 | Add one Tm atom at the Cartesian coordinate [ 5.805 6.042 10.8 ] to the cif file. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24Tm
_chemical_formula_sum "Pr4 Tl4 P8 Se24 Tm1"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 2d56cd70-af7e-456e-9aa6-f7fdafd9116c | mp-4068 | Add one Cd atom at the Cartesian coordinate [9.09 3.047 2.921] to the cif file. | data_image0
_chemical_formula_structural Na8Ge4S12
_chemical_formula_sum "Na8 Ge4 S12"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Ge4S12Cd
_chemical_formula_sum "Na8 Ge4 S12 Cd1"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | cc8e6259-a58c-453c-975f-4c79aec875ee | mp-17827 | Add one F atom at the Cartesian coordinate [4.163 6.006 4.554] to the cif file. | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14
_chemical_formula_sum "Nd6 Si2 Ag2 Se14"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14F
_chemical_formula_sum "Nd6 Si2 Ag2 Se14 F1"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-... |
AddAtomAction | bfdc5e30-40da-4754-bc77-da59906fa897 | mp-772788 | Add one Cd atom at the Cartesian coordinate [ 1.571 8.156 13.554] 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 Ba8Cu8O20Cd
_chemical_formula_sum "Ba8 Cu8 O20 Cd1"
_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 | 4eec4f79-b9ca-4450-8fd4-20e31f92b291 | mp-1104069 | Add one Bk atom at the Cartesian coordinate [1.045 3.677 3.112] to the cif file. | data_image0
_chemical_formula_structural Y2Ni8As4
_chemical_formula_sum "Y2 Ni8 As4"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 3.73949047
_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 Y2Ni8As4Bk
_chemical_formula_sum "Y2 Ni8 As4 Bk1"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 3.73949047
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 046ae6e5-60ce-4fe0-84b7-e5a424853f27 | mp-1211390 | Add one Sc atom at the Cartesian coordinate [ 3.964 4.376 37.726] to the cif file. | data_image0
_chemical_formula_structural Te7As6
_chemical_formula_sum "Te7 As6"
_cell_length_a 14.03875547
_cell_length_b 13.27688533
_cell_length_c 104.17872583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.91709385999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te7As6Sc
_chemical_formula_sum "Te7 As6 Sc1"
_cell_length_a 14.03875547
_cell_length_b 13.27688533
_cell_length_c 104.17872583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.91709385999998
_space_group_name_H-M_... |
AddAtomAction | 52a398d7-a0e9-4aac-9cea-ed53d96d3513 | mp-1026902 | Add one Na atom at the Cartesian coordinate [2.083 3.56 9.78 ] to the cif file. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CuBNa
_chemical_formula_sum "Mg14 Cu1 B1 Na1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-... |
AddAtomAction | 2c07fc77-e54f-49da-94b4-c3bbc25f4d1c | mp-984755 | Add one Pa atom at the Cartesian coordinate [18.448 5.331 1.04 ] to the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22Pa
_chemical_formula_sum "Nb8 Ag4 O22 Pa1"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.... |
AddAtomAction | 3e752345-2049-4030-b88f-4b0da8bdb7e9 | mp-756100 | Add one Ce atom at the Cartesian coordinate [8.917 4.969 1.492] to the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... | data_image0
_chemical_formula_structural Li2Fe2F8Ce
_chemical_formula_sum "Li2 Fe2 F8 Ce1"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_s... |
AddAtomAction | 10797fe4-f83b-46a6-9f62-8594ef3f5d3b | mp-1216993 | Add one At atom at the Cartesian coordinate [3.057 3.579 3.359] to the cif file. | data_image0
_chemical_formula_structural U2Co3CuGe4
_chemical_formula_sum "U2 Co3 Cu1 Ge4"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 9.806505
_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 U2Co3CuGe4At
_chemical_formula_sum "U2 Co3 Cu1 Ge4 At1"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 9.806505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | b06fe7f7-cb0b-45b5-a786-2d814b699268 | mp-1229042 | Add one Hg atom at the Cartesian coordinate [6.201 2.536 3.767] to the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24Hg
_chemical_formula_sum "Al9 Fe2 Si4 O24 Hg1"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_spa... |
AddAtomAction | 76b5bc4d-c889-4b39-9895-d3df2d834371 | mp-758894 | Add one Ce atom at the Cartesian coordinate [6.849 1.498 4.467] to the cif file. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O24Ce
_chemical_formula_sum "Li4 Ti2 Te6 O24 Ce1"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | 46ca2c59-227c-4498-a99a-9e8c56c5458b | mp-1196371 | Add one Ru atom at the Cartesian coordinate [ 3.182 11.907 3.194] to the cif file. | data_image0
_chemical_formula_structural Ce2Cu12P6O42
_chemical_formula_sum "Ce2 Cu12 P6 O42"
_cell_length_a 5.769265
_cell_length_b 13.090704
_cell_length_c 13.12293819
_cell_angle_alpha 60.443047209999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce2Cu12P6O42Ru
_chemical_formula_sum "Ce2 Cu12 P6 O42 Ru1"
_cell_length_a 5.769265
_cell_length_b 13.090704
_cell_length_c 13.12293819
_cell_angle_alpha 60.443047209999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | 3df180d3-f065-4269-b7d2-3caeb18cbeca | mp-1209763 | Add one Ga atom at the Cartesian coordinate [1.395 6.054 0.015] to the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 Rb8Eu4F20Ga
_chemical_formula_sum "Rb8 Eu4 F20 Ga1"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 | 84230fb8-5940-48c8-8fd3-f684820f4c91 | mp-1188770 | Add one K atom at the Cartesian coordinate [0.342 4.516 4.576] to the cif file. | 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 Er12Co4K
_chemical_formula_sum "Er12 Co4 K1"
_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_grou... |
AddAtomAction | 375c7337-fcda-4da5-a0fc-23e169eeda94 | mp-772660 | Add one Ti atom at the Cartesian coordinate [1.24 5.635 1.497] to the cif file. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4Cr4O16Ti
_chemical_formula_sum "Nb4 Cr4 O16 Ti1"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_n... |
AddAtomAction | 66d7c2e3-90df-42f2-b943-1ec749249fc0 | mp-600038 | Add one Db atom at the Cartesian coordinate [8.431 3.857 0.503] to the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si10O20Db
_chemical_formula_sum "Si10 O20 Db1"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 | 5f75d81b-6644-4f81-b308-17cdb67ab64c | mp-531064 | Add one Lr atom at the Cartesian coordinate [12.768 1.907 1.4 ] to the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56Lr
_chemical_formula_sum "K8 Mo24 Br56 Lr1"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 755fec18-7cc2-414d-80fc-115510f7ca52 | mp-1518110 | Add one Tl atom at the Cartesian coordinate [8.158 5.558 2.852] to the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6Tl
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6 Tl1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
AddAtomAction | 10a1e40f-4258-46f9-929a-50cc93b395b7 | mp-1224634 | Add one Zr atom at the Cartesian coordinate [ 2.09 19.977 5.889] to the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24Zr
_chemical_formula_sum "In9 Ga3 Bi4 S24 Zr1"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 80a42e1b-4e6b-40c7-9efc-4c9a7afbdfe6 | mp-21286 | Add one Pb atom at the Cartesian coordinate [3.235 2.897 0.965] to the cif file. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4Pb
_chemical_formula_sum "Mn4 Co4 Ge4 Pb1"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 47e48e66-0405-4ec6-a5be-c57723b6b79e | mp-1111080 | Add one Rf atom at the Cartesian coordinate [3.908 4.436 1.285] to the cif file. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6Rf
_chemical_formula_sum "K3 Ga1 F6 Rf1"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
AddAtomAction | 255bf020-9d43-4f03-b3f4-0ce2f03f00f0 | mp-1237261 | Add one Ce atom at the Cartesian coordinate [6.005 3.171 6.151] to the cif file. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3MnF12Ce
_chemical_formula_sum "Ba3 Mn1 F12 Ce1"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_spac... |
AddAtomAction | 9c115ec1-424d-4f53-9766-d9d50300b70a | mp-1198355 | Add one Cs atom at the Cartesian coordinate [12.743 8.327 5.684] to the cif file. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Cs
_chemical_formula_sum "Sr4 B22 O44 Cs1"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | a2d0b24b-14bb-40a2-ac6b-6d336b824d36 | mp-1519604 | Add one Fr atom at the Cartesian coordinate [0.25 1.397 2.792] to the cif file. | data_image0
_chemical_formula_structural Sr4Eu2W2O12
_chemical_formula_sum "Sr4 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_group_... | data_image0
_chemical_formula_structural Sr4Eu2W2O12Fr
_chemical_formula_sum "Sr4 Eu2 W2 O12 Fr1"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_... |
AddAtomAction | d36e767f-d407-49bf-9b56-c0f4a93352f7 | mp-753615 | Add one Au atom at the Cartesian coordinate [3.624 6.425 4.608] to the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Au
_chemical_formula_sum "Li3 Mn3 O4 F4 Au1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
AddAtomAction | 28e7a4d1-6ed5-443f-b87e-42a28586ecea | mp-14550 | Add one K atom at the Cartesian coordinate [4.717 1.848 2.892] to the cif file. | data_image0
_chemical_formula_structural Ti4Cd4O12
_chemical_formula_sum "Ti4 Cd4 O12"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_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 Ti4Cd4O12K
_chemical_formula_sum "Ti4 Cd4 O12 K1"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_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 | 0535df13-cc42-422c-919d-c072380b8c0b | mp-753161 | Add one Ti atom at the Cartesian coordinate [ 3.48 -0.726 2.682] 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 Li8V4O8F8Ti
_chemical_formula_sum "Li8 V4 O8 F8 Ti1"
_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 | 135f760a-c8be-470e-8bee-6d2353b1d7ff | mp-677070 | Add one Md atom at the Cartesian coordinate [7.003 6.372 4.148] to the cif file. | data_image0
_chemical_formula_structural V18Ni2O30
_chemical_formula_sum "V18 Ni2 O30"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V18Ni2O30Md
_chemical_formula_sum "V18 Ni2 O30 Md1"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_nam... |
AddAtomAction | e0623751-7389-4d15-b7c2-cb73a540211c | mp-23675 | Add one Hs atom at the Cartesian coordinate [2.733 5.163 0.615] to the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2Hs
_chemical_formula_sum "H8 Br2 N2 Hs1"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 | e1afdb46-ac15-4741-8154-c0e6853fa62b | mp-761404 | Add one Po atom at the Cartesian coordinate [1.187 2.033 4.444] to the cif file. | data_image0
_chemical_formula_structural Co10Cu2O16
_chemical_formula_sum "Co10 Cu2 O16"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamma 9... | data_image0
_chemical_formula_structural Co10Cu2O16Po
_chemical_formula_sum "Co10 Cu2 O16 Po1"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamm... |
AddAtomAction | f8ef753f-25c6-454c-8320-20ce44755796 | mp-30210 | Add one Xe atom at the Cartesian coordinate [1.571 1.916 3.459] to the cif file. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2Xe
_chemical_formula_sum "La10 Sn6 Cl2 Xe1"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_sp... |
AddAtomAction | d324d208-4f78-42ed-993f-ee30e0b0e955 | mp-1226157 | Add one Li atom at the Cartesian coordinate [6.159 1.104 0.903] to the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12Li
_chemical_formula_sum "Cs2 Ti1 W3 O12 Li1"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60... |
AddAtomAction | aaf075b7-c339-423b-b336-e30e027367b8 | mp-1177469 | Add one Pd atom at the Cartesian coordinate [2.476 0.458 1.691] to the cif file. | data_image0
_chemical_formula_structural Li4Mn3Fe3O12
_chemical_formula_sum "Li4 Mn3 Fe3 O12"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn3Fe3O12Pd
_chemical_formula_sum "Li4 Mn3 Fe3 O12 Pd1"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_g... |
AddAtomAction | f3548ec0-7004-403c-b4b4-8aa2257e6955 | mp-1210214 | Add one Hg atom at the Cartesian coordinate [ 2.783 2.28 10.092] to the cif file. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18Hg
_chemical_formula_sum "Na2 Nb4 Bi4 O18 Hg1"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 204b5143-b317-4cd0-adf8-07951b94eacd | mp-4584 | Add one Ni atom at the Cartesian coordinate [-1.033 4.782 0.132] to the cif file. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2O6Ni
_chemical_formula_sum "Tl6 B2 O6 Ni1"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt ... |
AddAtomAction | cd509944-6482-4a2b-bb9d-74236e4e899f | mp-1105236 | Add one V atom at the Cartesian coordinate [1.313 5.512 2.068] to the cif file. | data_image0
_chemical_formula_structural FeCu6Sn2S8
_chemical_formula_sum "Fe1 Cu6 Sn2 S8"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_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 FeCu6Sn2S8V
_chemical_formula_sum "Fe1 Cu6 Sn2 S8 V1"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_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 | 106a2c52-23f6-4598-9ddf-b353d1239777 | mp-1096809 | Add one Er atom at the Cartesian coordinate [3.184 7.137 0.307] to the cif file. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 Al8Zn4S16Er
_chemical_formula_sum "Al8 Zn4 S16 Er1"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 | afd0d8c9-7b9f-4478-966d-3aafa0ab349c | mp-6144 | Add one Ga atom at the Cartesian coordinate [-8.381 -0.549 2.735] to the cif file. | data_image0
_chemical_formula_structural Na2La2Ti3O10
_chemical_formula_sum "Na2 La2 Ti3 O10"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na2La2Ti3O10Ga
_chemical_formula_sum "Na2 La2 Ti3 O10 Ga1"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gam... |
AddAtomAction | 372391d9-ac1d-4a6d-a407-ef91225aa50d | mp-755978 | Add one Np atom at the Cartesian coordinate [6.757 4.689 2.788] to the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni6O2F10Np
_chemical_formula_sum "Ni6 O2 F10 Np1"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_s... |
AddAtomAction | 0aa91dd1-148c-48b9-a261-76743c855317 | mp-7152 | Add one Fe atom at the Cartesian coordinate [3.627 1.153 6.402] to the cif file. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6Fe
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6 Fe1"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M... |
AddAtomAction | 8afdc616-33a0-4a7d-9642-6ded19e4899a | mp-758323 | Add one Cr atom at the Cartesian coordinate [10.134 4.163 0.505] to the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Cr
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24 Cr1"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_s... |
AddAtomAction | f6a96a50-a889-43b4-9609-ddba09ef5dcc | mp-30524 | Add one Fr atom at the Cartesian coordinate [3.419 5.239 1.249] to the cif file. | data_image0
_chemical_formula_structural Ti12O22
_chemical_formula_sum "Ti12 O22"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_group_na... | data_image0
_chemical_formula_structural Ti12O22Fr
_chemical_formula_sum "Ti12 O22 Fr1"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_gr... |
AddAtomAction | 671e7ccc-13f7-41f2-a6c1-d045f502e321 | mp-11639 | Add one Cm atom at the Cartesian coordinate [7.914 3.29 1.333] to the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6Cm
_chemical_formula_sum "Rb4 Ge2 S6 Cm1"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_s... |
AddAtomAction | ac7e8cae-84e1-478b-b6f7-4cb9132e9fab | mp-556333 | Add one Os atom at the Cartesian coordinate [10.909 2.621 3.669] to the cif file. | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2Os
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2 Os1"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
AddAtomAction | edcb5a16-5b46-4aa3-aa99-cdf230dbbda6 | mp-1037954 | Add one K atom at the Cartesian coordinate [4.589 4.396 7.076] to the cif file. | data_image0
_chemical_formula_structural CsMg30AlO32
_chemical_formula_sum "Cs1 Mg30 Al1 O32"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_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 CsMg30AlO32K
_chemical_formula_sum "Cs1 Mg30 Al1 O32 K1"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | f46315fb-a76c-4d1a-9f3e-a236ce048899 | mp-1176288 | Add one Fm atom at the Cartesian coordinate [2.553 0.977 0.11 ] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Fm
_chemical_formula_sum "Li9 Mn2 Co5 O16 Fm1"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | c67dade2-bd2c-4c91-aaff-db7fb87c0174 | mp-1208067 | Add one S atom at the Cartesian coordinate [7.295 8.923 4.749] to the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4S
_chemical_formula_sum "Tm16 Cd4 Pd4 S1"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group... |
AddAtomAction | 4d7d5489-02f4-4539-bce3-9879272ad497 | mp-1205145 | Add one Po atom at the Cartesian coordinate [ 6.987 7.712 13.902] to the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O52Po
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52 Po1"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 364ed192-b9d7-4afb-a9af-b3baba753dd0 | mp-1033461 | Add one Se atom at the Cartesian coordinate [7.103 2.802 0.966] to the cif file. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg6CrO8Se
_chemical_formula_sum "Ba1 Mg6 Cr1 O8 Se1"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 05f6a543-a0a2-40bd-b753-9e6bec134dea | mp-1103256 | Add one Yb atom at the Cartesian coordinate [ 0.18 -0.915 5.683] to the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Yb
_chemical_formula_sum "Fe4 Sb4 Se4 Yb1"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 0e26c978-f4b5-48a6-b0c3-e5fff913ed23 | mp-1198143 | Add one Fm atom at the Cartesian coordinate [5.776 2.14 7.88 ] to the cif file. | 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 Ca4B8H40O4Fm
_chemical_formula_sum "Ca4 B8 H40 O4 Fm1"
_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"
_... |
AddAtomAction | 6f502fee-4934-468f-82b2-e6229600c138 | mp-758053 | Add one P atom at the Cartesian coordinate [0.589 6.946 4.525] to the cif file. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8P
_chemical_formula_sum "Nb2 Cr2 O8 P1"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_g... |
AddAtomAction | 8aab18e1-42d4-46c1-8b11-7b9aac23a0e5 | mp-1221055 | Add one Hg atom at the Cartesian coordinate [6.168 1.989 0.378] to the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31Hg
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31 Hg1"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 11... |
AddAtomAction | 5166aaaa-eeb2-48b9-a30c-9dc9d6c99c21 | mp-23565 | Add one Na atom at the Cartesian coordinate [2.328 0.047 5.512] to the cif file. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14Na
_chemical_formula_sum "Cr4 Ag1 Bi1 O14 Na1"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498... |
AddAtomAction | 8b61ba94-d4f3-42b2-8694-0344da2d37d6 | mp-1233440 | Add one In atom at the Cartesian coordinate [-1.544 7.313 7.266] to the cif file. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18In
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18 In1"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_nam... |
AddAtomAction | 8babb7e7-1a78-4ef1-ba62-560bf0c144e9 | mp-776448 | Add one Rh atom at the Cartesian coordinate [11.245 1.496 1.821] to the cif file. | data_image0
_chemical_formula_structural Ba2Nb6N2O14
_chemical_formula_sum "Ba2 Nb6 N2 O14"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space_group... | data_image0
_chemical_formula_structural Ba2Nb6N2O14Rh
_chemical_formula_sum "Ba2 Nb6 N2 O14 Rh1"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space... |
AddAtomAction | e9f6862f-665a-4d56-8750-1cac854ced1c | mp-850204 | Add one Xe atom at the Cartesian coordinate [8.803 1.907 1.07 ] to the cif file. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2O2F5Xe
_chemical_formula_sum "Li5 Co2 O2 F5 Xe1"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma ... |
AddAtomAction | a9f6e7e3-7712-43f1-bb53-0e8d15eec9fc | mp-761075 | Add one Pa atom at the Cartesian coordinate [6.24 0.049 5.441] to the cif file. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44Pa
_chemical_formula_sum "Ni4 P16 O44 Pa1"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
... |
AddAtomAction | 9066430f-698b-4e6d-b44f-5b42c244f5a1 | mp-1221008 | Add one Fl atom at the Cartesian coordinate [8.035 5.714 9.902] to the cif file. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni24Sn49Fl
_chemical_formula_sum "Nd9 Ni24 Sn49 Fl1"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_spac... |
AddAtomAction | cc41d71e-7602-4a0a-8091-09ec6c066f35 | mp-1022621 | Add one Eu atom at the Cartesian coordinate [0.585 4.38 1.98 ] to the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg12Zn2Cu2Eu
_chemical_formula_sum "Mg12 Zn2 Cu2 Eu1"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | c9981cd1-a192-468b-98cb-8410960814f6 | mp-1195048 | Add one Es atom at the Cartesian coordinate [0.327 5.815 0.878] to the cif file. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30Es
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30 Es1"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.... |
AddAtomAction | fe44e2c3-c6f5-4de1-b3ac-5d4aa989e788 | mp-1520689 | Add one Ga atom at the Cartesian coordinate [3.278 0.44 2.063] to the cif file. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12Ga
_chemical_formula_sum "Ba1 Sr1 Ti4 O12 Ga1"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | dd8571a9-dda7-4e74-8727-51b089dce544 | mp-1208808 | Add one Pu atom at the Cartesian coordinate [4.495 2.43 1.975] to the cif file. | data_image0
_chemical_formula_structural Sr4Li2Te2O12
_chemical_formula_sum "Sr4 Li2 Te2 O12"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Sr4Li2Te2O12Pu
_chemical_formula_sum "Sr4 Li2 Te2 O12 Pu1"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | 81d8d2ab-a0c0-4ce3-8170-c9dcecb58534 | mp-649415 | Add one Mc atom at the Cartesian coordinate [3.657 8.5 1.502] to the cif file. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12Mc
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12 Mc1"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
AddAtomAction | 4433faa0-ed35-4669-b693-5f0d9e34b957 | mp-540267 | Add one Cl atom at the Cartesian coordinate [3.517 5.739 0.985] to the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Cl
_chemical_formula_sum "Cr2 P4 O14 Cl1"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_g... |
AddAtomAction | 1eda24ae-b6f7-4ec6-996e-5fcf70ac02a1 | mp-21322 | Add one Se atom at the Cartesian coordinate [5.17 2.682 3.188] to the cif file. | data_image0
_chemical_formula_structural V2Pb3O8
_chemical_formula_sum "V2 Pb3 O8"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734139999... | data_image0
_chemical_formula_structural V2Pb3O8Se
_chemical_formula_sum "V2 Pb3 O8 Se1"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734... |
AddAtomAction | 77235285-af47-4aa8-8f0e-c1e1551b5d71 | mp-685444 | Add one I atom at the Cartesian coordinate [ 7.757 4.559 18.284] to the cif file. | data_image0
_chemical_formula_structural Mg11Fe30O56
_chemical_formula_sum "Mg11 Fe30 O56"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.03193310000001
_s... | data_image0
_chemical_formula_structural Mg11Fe30O56I
_chemical_formula_sum "Mg11 Fe30 O56 I1"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.03193310000001... |
AddAtomAction | 0dad13a0-1af7-441d-9ba2-b357bce52d2f | mp-1182197 | Add one As atom at the Cartesian coordinate [4.392 6.894 7.475] to the cif file. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12As
_chemical_formula_sum "Nd4 Mn4 O12 As1"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 983c0ab1-e203-4d3e-b23b-f47d8d228f4c | mp-1029037 | Add one Kr atom at the Cartesian coordinate [ 1.376 1.709 17.775] to the cif file. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6Kr
_chemical_formula_sum "Mo1 W3 Se2 S6 Kr1"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_al... |
AddAtomAction | e07c28c5-0826-4cd1-8e95-c85e12697048 | mp-1205276 | Add one He atom at the Cartesian coordinate [3.508 5.619 8.581] to the cif file. | data_image0
_chemical_formula_structural Ru4N24Cl12O8
_chemical_formula_sum "Ru4 N24 Cl12 O8"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_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 Ru4N24Cl12O8He
_chemical_formula_sum "Ru4 N24 Cl12 O8 He1"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | f3b5cf46-5745-454f-a6fe-e396756517c9 | mp-2218579 | Add one F atom at the Cartesian coordinate [1.094 2.279 2.919] to the cif file. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6F
_chemical_formula_sum "Na2 Mg1 Cu4 O6 F1"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 60cb6c38-58a2-4493-9d3d-fafec4e99d22 | mp-1037436 | Add one Pt atom at the Cartesian coordinate [0.058 0.866 6.329] to the cif file. | data_image0
_chemical_formula_structural YMg30CdO32
_chemical_formula_sum "Y1 Mg30 Cd1 O32"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_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 YMg30CdO32Pt
_chemical_formula_sum "Y1 Mg30 Cd1 O32 Pt1"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | ccf9992e-c8d9-4440-b042-6fcf69a9cfbe | mp-567566 | Add one Po atom at the Cartesian coordinate [-1.073 4.802 5.177] to the cif file. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12Po
_chemical_formula_sum "Ho7 Fe1 I12 Po1"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_sp... |
AddAtomAction | 7e91770d-9610-4eb2-9c0c-5265cb2d2de9 | mp-540477 | Add one Dy atom at the Cartesian coordinate [2.755 0.42 1.173] to the cif file. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12Dy
_chemical_formula_sum "Li2 Mn1 P4 O12 Dy1"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.9886620000000... |
AddAtomAction | b6ba54f8-730c-4e9e-82dc-c36777ca7133 | mp-2459381 | Add one He atom at the Cartesian coordinate [1.368 6.506 5.5 ] to the cif file. | data_image0
_chemical_formula_structural W2Br4O4
_chemical_formula_sum "W2 Br4 O4"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 W2Br4O4He
_chemical_formula_sum "W2 Br4 O4 He1"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 | 7f3791d3-17d2-468b-9ed3-30d075b15d69 | mp-1182082 | Add one Sn atom at the Cartesian coordinate [1.779 5.718 3.815] to the cif file. | data_image0
_chemical_formula_structural Ca2Al2O4F8
_chemical_formula_sum "Ca2 Al2 O4 F8"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066999998... | data_image0
_chemical_formula_structural Ca2Al2O4F8Sn
_chemical_formula_sum "Ca2 Al2 O4 F8 Sn1"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066... |
AddAtomAction | 82713cb3-1b1b-4078-b18d-4e090153a4f5 | mp-554704 | Add one Na atom at the Cartesian coordinate [5.719 7.483 0.197] to the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20Na
_chemical_formula_sum "Ti4 P4 H4 O20 Na1"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 3def110a-789f-454d-a8c8-4658041045c6 | mp-1247259 | Add one C atom at the Cartesian coordinate [2.362 6.042 3.631] to the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6C
_chemical_formula_sum "Ca6 Rh2 N6 C1"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_a... |
AddAtomAction | ad65398e-0f11-40ba-b3b3-ae1060be163d | mp-1347506 | Add one Zr atom at the Cartesian coordinate [2.671 9.587 7.599] to the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12Zr
_chemical_formula_sum "Mg4 Cu2 Ir2 O12 Zr1"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 19c35a39-fadf-4a7a-aed7-efe27b32a5d5 | mp-1203790 | Add one S atom at the Cartesian coordinate [-0.024 2.922 3.867] to the cif file. | data_image0
_chemical_formula_structural Si68
_chemical_formula_sum "Si68"
_cell_length_a 10.36662954
_cell_length_b 10.36662717
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Si68S
_chemical_formula_sum "Si68 S1"
_cell_length_a 10.36662954
_cell_length_b 10.36662717
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | b9578a01-6251-48fc-924b-d6d05b006db0 | mp-778833 | Add one Re atom at the Cartesian coordinate [3.196 3.936 3.43 ] to the cif file. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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 Co6O6F6Re
_chemical_formula_sum "Co6 O6 F6 Re1"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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... |
AddAtomAction | 8346e5ff-7c49-4c38-bc66-c21739053399 | mp-1045551 | Add one Mt atom at the Cartesian coordinate [-1.084 2.704 2.924] to the cif file. | data_image0
_chemical_formula_structural Mg2Fe4O8
_chemical_formula_sum "Mg2 Fe4 O8"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_space... | data_image0
_chemical_formula_structural Mg2Fe4O8Mt
_chemical_formula_sum "Mg2 Fe4 O8 Mt1"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
... |
AddAtomAction | 1b8eaa73-380b-4e2e-b843-5214a972e357 | mp-559052 | Add one K atom at the Cartesian coordinate [8.973 3.848 0.858] to the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28K
_chemical_formula_sum "Li2 Nb6 Bi8 O28 K1"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_g... |
AddAtomAction | d02d73f6-f0cd-4dbe-b65b-383271698846 | mp-753615 | Add one Xe atom at the Cartesian coordinate [5.024 3.996 4.613] to the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Xe
_chemical_formula_sum "Li3 Mn3 O4 F4 Xe1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
AddAtomAction | 94fbcb12-07f2-4338-9981-7697bd78cbbc | mp-769018 | Add one Ba atom at the Cartesian coordinate [ 5.137 12.526 8.967] to the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48Ba
_chemical_formula_sum "Li4 Fe8 S12 O48 Ba1"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 1009fa53-88a0-46be-8f14-6b52d2b424f1 | mp-1212062 | Add one Bk atom at the Cartesian coordinate [5.806 6.545 0.684] to the cif file. | data_image0
_chemical_formula_structural K8Dy4Cl20
_chemical_formula_sum "K8 Dy4 Cl20"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_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 K8Dy4Cl20Bk
_chemical_formula_sum "K8 Dy4 Cl20 Bk1"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 82231d1f-907d-4e66-a457-242e563c2977 | mp-2218660 | Add one Sg atom at the Cartesian coordinate [4.412 3.015 5.286] to the cif file. | data_image0
_chemical_formula_structural Na4MgBi2O6
_chemical_formula_sum "Na4 Mg1 Bi2 O6"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000001
_... | data_image0
_chemical_formula_structural Na4MgBi2O6Sg
_chemical_formula_sum "Na4 Mg1 Bi2 O6 Sg1"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000... |
AddAtomAction | f4e38234-14ce-4299-9d2c-1226b03e7f87 | mp-758762 | Add one Cl atom at the Cartesian coordinate [2.871 3.473 0.218] 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 Li4Fe4P8O28Cl
_chemical_formula_sum "Li4 Fe4 P8 O28 Cl1"
_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 | 714616c4-8862-437d-afaf-7c20b667cf0a | mp-1304017 | Add one Tb atom at the Cartesian coordinate [4.09 0.819 0.568] to the cif file. | data_image0
_chemical_formula_structural Li4Mn6Co2O16
_chemical_formula_sum "Li4 Mn6 Co2 O16"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31659584... | data_image0
_chemical_formula_structural Li4Mn6Co2O16Tb
_chemical_formula_sum "Li4 Mn6 Co2 O16 Tb1"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31... |
AddAtomAction | 8fa4084d-fb2b-4123-a53e-d959599c51f6 | mp-1224634 | Add one Sn atom at the Cartesian coordinate [ 0.731 11.621 11.27 ] to the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24Sn
_chemical_formula_sum "In9 Ga3 Bi4 S24 Sn1"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
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