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 | b70a0801-ed8e-41c2-b39f-56eda6f672ae | mp-1275723 | Add one Ti atom at the Cartesian coordinate [3.126 1.42 2.531] to the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... | data_image0
_chemical_formula_structural Li6Mn2Co6O16Ti
_chemical_formula_sum "Li6 Mn2 Co6 O16 Ti1"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_sp... |
AddAtomAction | 198352d5-cf74-4fb8-9d81-a08f303b434a | mp-1245067 | Add one Xe atom at the Cartesian coordinate [12.177 4.07 0.624] to the cif file. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al100Xe
_chemical_formula_sum "Al100 Xe1"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_... |
AddAtomAction | 315681a8-2ca5-4b68-8b18-4dc3282480fc | mp-1196375 | Add one Se atom at the Cartesian coordinate [14.474 7.496 8.397] to the cif file. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd40Ni4Se
_chemical_formula_sum "Gd2 Cd40 Ni4 Se1"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | 37733766-4050-497b-9975-6ebfc0961f1f | mp-754190 | Add one Lr atom at the Cartesian coordinate [4.116 1.121 4.427] to the cif file. | data_image0
_chemical_formula_structural VSb3P4O16
_chemical_formula_sum "V1 Sb3 P4 O16"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_group_nam... | data_image0
_chemical_formula_structural VSb3P4O16Lr
_chemical_formula_sum "V1 Sb3 P4 O16 Lr1"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_gro... |
AddAtomAction | 21b677e4-4af7-433b-8a27-c06257e1edeb | mp-1223453 | Add one Zr atom at the Cartesian coordinate [2.974 0.703 8.851] to the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 La2Ga5Au3Zr
_chemical_formula_sum "La2 Ga5 Au3 Zr1"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 | fde7887d-be65-4769-b3bf-dd171b0358ad | mp-624221 | Add one W atom at the Cartesian coordinate [1.968 3.596 3.911] to the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10W
_chemical_formula_sum "Ge6 Rh10 W1"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H... |
AddAtomAction | 5fee3af8-8a05-406c-a548-5c86db7ed22b | mp-1075928 | Add one Fl atom at the Cartesian coordinate [7.645 6.201 5.588] to the cif file. | data_image0
_chemical_formula_structural Sr4Ca4Co8O24
_chemical_formula_sum "Sr4 Ca4 Co8 O24"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_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 Sr4Ca4Co8O24Fl
_chemical_formula_sum "Sr4 Ca4 Co8 O24 Fl1"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 871fefd5-88ae-443f-b914-27df053e4b2b | mp-1518745 | Add one Ts atom at the Cartesian coordinate [4.483 1.762 3.839] to the cif file. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6Ts
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6 Ts1"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
AddAtomAction | 40acfcdf-b6fb-47a3-aed5-e3bca306c403 | mp-2230833 | Add one Pa atom at the Cartesian coordinate [3.149 3.299 4.509] to the cif file. | data_image0
_chemical_formula_structural MgMnV4NiO12
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_space_... | data_image0
_chemical_formula_structural MgMnV4NiO12Pa
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12 Pa1"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_... |
AddAtomAction | a2d47e24-e538-483c-9ea8-b244d365ca7b | mp-558681 | Add one He atom at the Cartesian coordinate [ 3.459 0.229 10.538] to the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16He
_chemical_formula_sum "P8 Cl8 O8 F16 He1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 6356a987-0b3d-4f1a-91df-b4e5e33f72e3 | mp-1214888 | Add one Cd atom at the Cartesian coordinate [2.493 0.037 0.836] to the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12Cd
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12 Cd1"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_grou... |
AddAtomAction | 214c1bc5-9285-4d10-bb16-c3498a2d634d | mp-757167 | Add one Ce atom at the Cartesian coordinate [-0.812 1.364 11.461] to the cif file. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24Ce
_chemical_formula_sum "Li12 Si6 Ni6 O24 Ce1"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma ... |
AddAtomAction | 059f366c-d67a-4dec-a97c-908625526a0f | mp-1037899 | Add one Fr atom at the Cartesian coordinate [3.771 2.619 7.202] to the cif file. | data_image0
_chemical_formula_structural CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_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 CaMg30NbO32Fr
_chemical_formula_sum "Ca1 Mg30 Nb1 O32 Fr1"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 6cd65db5-f87b-40a4-97f3-04b21fb2ee81 | mp-1041312 | Add one Y atom at the Cartesian coordinate [2.024 4.238 5.127] to the cif file. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8Y
_chemical_formula_sum "Ba1 Mn4 O8 Y1"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt ... |
AddAtomAction | f4698942-2bf2-47cc-aeaa-86ec7b81cf98 | mp-1027815 | Add one Bh atom at the Cartesian coordinate [2.756 3.616 8.432] to the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoBh
_chemical_formula_sum "K1 Mg14 Co1 Bh1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt ... |
AddAtomAction | 3b2f06a2-e479-495e-a5db-c421ccacb22c | mp-1188970 | Add one Mo atom at the Cartesian coordinate [6.481 7.581 4.841] to the cif file. | data_image0
_chemical_formula_structural Cs2CdFeC6N6
_chemical_formula_sum "Cs2 Cd1 Fe1 C6 N6"
_cell_length_a 7.63005128
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2CdFeC6N6Mo
_chemical_formula_sum "Cs2 Cd1 Fe1 C6 N6 Mo1"
_cell_length_a 7.63005128
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_... |
AddAtomAction | 8cf25150-8aba-4930-94cd-4468538300a4 | mp-1216279 | Add one P atom at the Cartesian coordinate [12.74 3.565 14.777] to the cif file. | data_image0
_chemical_formula_structural Y6Ga17Pt5
_chemical_formula_sum "Y6 Ga17 Pt5"
_cell_length_a 8.11900182
_cell_length_b 8.11900182
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31.01343326
_space_group_name... | data_image0
_chemical_formula_structural Y6Ga17Pt5P
_chemical_formula_sum "Y6 Ga17 Pt5 P1"
_cell_length_a 8.11900182
_cell_length_b 8.11900182
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31.01343326
_space_group_... |
AddAtomAction | 97d89a7f-d845-431e-9668-84cc585ca533 | mp-1247128 | Add one Hg atom at the Cartesian coordinate [10.227 2.943 4.549] to the cif file. | data_image0
_chemical_formula_structural SmMg2Cr3S8
_chemical_formula_sum "Sm1 Mg2 Cr3 S8"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 7.493654620000001
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma 58.83750572999999
_... | data_image0
_chemical_formula_structural SmMg2Cr3S8Hg
_chemical_formula_sum "Sm1 Mg2 Cr3 S8 Hg1"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 7.493654620000001
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma 58.83750572999... |
AddAtomAction | db86a4dd-cfeb-4602-aae5-658a6f5a2a63 | mp-1349418 | Add one Er atom at the Cartesian coordinate [4.243 5.075 9.128] to the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28Er
_chemical_formula_sum "Mg4 Mo12 O28 Er1"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | d1c00496-1aad-42df-a344-bedd5b5a6be3 | mp-1222315 | Add one Se atom at the Cartesian coordinate [3.646 2.355 1.323] to the cif file. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6Se
_chemical_formula_sum "Li1 La1 Ti2 O6 Se1"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
AddAtomAction | b3f0b955-f160-4c88-9eea-279fa0d335f9 | mp-556015 | Add one As atom at the Cartesian coordinate [9.441 3.192 2.245] to the cif file. | data_image0
_chemical_formula_structural Dy18Sb10O10
_chemical_formula_sum "Dy18 Sb10 O10"
_cell_length_a 9.875127
_cell_length_b 9.875127
_cell_length_c 8.87761
_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 Dy18Sb10O10As
_chemical_formula_sum "Dy18 Sb10 O10 As1"
_cell_length_a 9.875127
_cell_length_b 9.875127
_cell_length_c 8.87761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | ab2ecc35-8559-4f9d-896a-9da0fcef687f | mp-730460 | Add one At atom at the Cartesian coordinate [1.996 0.311 8.303] to the cif file. | data_image0
_chemical_formula_structural Na10H6C8O24
_chemical_formula_sum "Na10 H6 C8 O24"
_cell_length_a 3.40453221
_cell_length_b 9.99076164
_cell_length_c 15.456632970000001
_cell_angle_alpha 107.73262794999998
_cell_angle_beta 95.45983126000002
_cell_angle_gamma 94.88... | data_image0
_chemical_formula_structural Na10H6C8O24At
_chemical_formula_sum "Na10 H6 C8 O24 At1"
_cell_length_a 3.40453221
_cell_length_b 9.99076164
_cell_length_c 15.456632970000001
_cell_angle_alpha 107.73262794999998
_cell_angle_beta 95.45983126000002
_cell_angle_gamma ... |
AddAtomAction | d5a36978-2e1b-40ae-903b-c02eb99b10ca | mp-19484 | Add one Pd atom at the Cartesian coordinate [ 0.096 6.745 14.491] to the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28Pd
_chemical_formula_sum "Ba4 Ca4 V8 O28 Pd1"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 9d320dda-ff95-439c-bf66-56ce464f1945 | mp-1376216 | Add one Gd atom at the Cartesian coordinate [0.463 8.779 4.121] to the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16Gd
_chemical_formula_sum "Mg4 V8 O16 Gd1"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | bdd02a0b-5aa4-4a1f-af1c-5ec58746954c | mp-1045114 | Add one Nd atom at the Cartesian coordinate [0.551 1.053 4.168] to the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16Nd
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16 Nd1"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_s... |
AddAtomAction | b1bced24-6cb5-46a0-825f-6a4ab358f43a | mp-758643 | Add one Gd atom at the Cartesian coordinate [4.596 7.035 8.391] to the cif file. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_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 V4C8O24Gd
_chemical_formula_sum "V4 C8 O24 Gd1"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_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 | 71e6f423-44f3-468b-9a29-43b29e4c96ad | mp-6606 | Add one Pt atom at the Cartesian coordinate [1.674 0.237 2.628] to the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14Pt
_chemical_formula_sum "Sr2 Y2 Si8 N14 Pt1"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_gr... |
AddAtomAction | 917c3b7a-5501-43dc-ba8b-7ccfe2cd9b52 | mp-1245698 | Add one Ds atom at the Cartesian coordinate [3.54 1.839 3.76 ] to the cif file. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn4Cr4N8Ds
_chemical_formula_sum "Zn4 Cr4 N8 Ds1"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 | 125a1095-e3f7-4211-997a-4742f6cce3dc | mp-625941 | Add one Pb atom at the Cartesian coordinate [4.404 2.193 3.333] to the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6Pb
_chemical_formula_sum "Te1 H6 O6 Pb1"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599... |
AddAtomAction | f2a7899c-bfea-412b-932d-66fac93a686b | mp-777836 | Add one Ca atom at the Cartesian coordinate [-0.79 4.525 2.178] to the cif file. | data_image0
_chemical_formula_structural Li14Co13O28
_chemical_formula_sum "Li14 Co13 O28"
_cell_length_a 7.499182
_cell_length_b 8.05935355
_cell_length_c 8.55269923
_cell_angle_alpha 102.77987539999998
_cell_angle_beta 104.52860817999999
_cell_angle_gamma 105.43692013
_... | data_image0
_chemical_formula_structural Li14Co13O28Ca
_chemical_formula_sum "Li14 Co13 O28 Ca1"
_cell_length_a 7.499182
_cell_length_b 8.05935355
_cell_length_c 8.55269923
_cell_angle_alpha 102.77987539999998
_cell_angle_beta 104.52860817999999
_cell_angle_gamma 105.43692... |
AddAtomAction | fe5ee7f7-c35f-4614-b30b-ff537d97b2b4 | mp-570405 | Add one Hs atom at the Cartesian coordinate [5.111 6.512 0.175] to the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg24P16Cl28Hs
_chemical_formula_sum "Ti4 Hg24 P16 Cl28 Hs1"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 13c57a78-e833-44f9-908a-ffbdbf3271c0 | mp-1111469 | Add one Hf atom at the Cartesian coordinate [11.35 6.553 5.718] to the cif file. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6Hf
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6 Hf1"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | d18da922-3062-4f87-8017-e00a3f40bf00 | mp-1202046 | Add one Ag atom at the Cartesian coordinate [ 3.154 10.59 5.955] to the cif file. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P4I4O16Ag
_chemical_formula_sum "Sr8 P4 I4 O16 Ag1"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 0e4229f8-401f-4b27-beba-e24f5737d976 | mp-1203429 | Add one Ho atom at the Cartesian coordinate [ 3.576 2.022 10.927] to the cif file. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B24Os4Ho
_chemical_formula_sum "Tm8 B24 Os4 Ho1"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_grou... |
AddAtomAction | d7b58230-e750-4d6e-a896-c29da6ff6056 | mp-1074916 | Add one Np atom at the Cartesian coordinate [-0.296 1.763 12.694] to the cif file. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8Np
_chemical_formula_sum "Mg14 Si8 Np1"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space... |
AddAtomAction | 0856efb5-4e34-4144-9007-f1dc4f768728 | mp-1233723 | Add one V atom at the Cartesian coordinate [-1.403 4.45 4.207] to the cif file. | data_image0
_chemical_formula_structural MgAlBi12O20
_chemical_formula_sum "Mg1 Al1 Bi12 O20"
_cell_length_a 8.99253013
_cell_length_b 8.98975872
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_beta 108.55081522000002
_cell_angle_gamma 108.60741344
_s... | data_image0
_chemical_formula_structural MgAlBi12O20V
_chemical_formula_sum "Mg1 Al1 Bi12 O20 V1"
_cell_length_a 8.99253013
_cell_length_b 8.98975872
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_beta 108.55081522000002
_cell_angle_gamma 108.60741344... |
AddAtomAction | 7d85a7d6-bc07-47a0-a630-ebdd6aaed1ca | mp-703316 | Add one Br atom at the Cartesian coordinate [3.129 1.723 7.631] to the cif file. | data_image0
_chemical_formula_structural La4Mg8H28
_chemical_formula_sum "La4 Mg8 H28"
_cell_length_a 6.33773359
_cell_length_b 6.33773359
_cell_length_c 9.5362298
_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 La4Mg8H28Br
_chemical_formula_sum "La4 Mg8 H28 Br1"
_cell_length_a 6.33773359
_cell_length_b 6.33773359
_cell_length_c 9.5362298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | b89c003c-9599-433e-9ee4-831ba15b348a | mp-1202826 | Add one Mg atom at the Cartesian coordinate [6.148 1.216 7.377] to the cif file. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20Mg
_chemical_formula_sum "Gd8 U4 S20 Mg1"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_s... |
AddAtomAction | 2e1e7adb-422b-413c-9190-585f9ecc1cac | mp-1210721 | Add one Bh atom at the Cartesian coordinate [-2.079 2.296 5.274] to the cif file. | data_image0
_chemical_formula_structural Nd4Cr8O8
_chemical_formula_sum "Nd4 Cr8 O8"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 8.0100726
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412211
_space... | data_image0
_chemical_formula_structural Nd4Cr8O8Bh
_chemical_formula_sum "Nd4 Cr8 O8 Bh1"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 8.0100726
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412211
... |
AddAtomAction | bea42af7-b5d6-4025-bbe2-3bc90fcbb636 | mp-866810 | Add one Ds atom at the Cartesian coordinate [3.455 3.219 5.105] to the cif file. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 6.18460896
_cell_length_b 6.18460896
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.59572336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Sn2S8Ds
_chemical_formula_sum "Ca4 Sn2 S8 Ds1"
_cell_length_a 6.18460896
_cell_length_b 6.18460896
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.59572336999999
_space_group_name_H-M_a... |
AddAtomAction | 7a9218c2-4b55-4b37-9845-30d141023c3d | mp-1104734 | Add one Os atom at the Cartesian coordinate [4.788 1.548 0.4 ] to the cif file. | data_image0
_chemical_formula_structural Te2Br12
_chemical_formula_sum "Te2 Br12"
_cell_length_a 7.428041
_cell_length_b 7.428041
_cell_length_c 11.0806
_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 Te2Br12Os
_chemical_formula_sum "Te2 Br12 Os1"
_cell_length_a 7.428041
_cell_length_b 7.428041
_cell_length_c 11.0806
_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... |
AddAtomAction | 24a79f1c-1136-427a-bd78-d9b6f21a391f | mp-1234724 | Add one Lu atom at the Cartesian coordinate [2.312 0.395 3.972] to the cif file. | data_image0
_chemical_formula_structural MgCo4Te8O20
_chemical_formula_sum "Mg1 Co4 Te8 O20"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 6.31252205
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
_space_grou... | data_image0
_chemical_formula_structural MgCo4Te8O20Lu
_chemical_formula_sum "Mg1 Co4 Te8 O20 Lu1"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 6.31252205
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
_spac... |
AddAtomAction | 25933fcb-70da-462c-a844-0d2b91ff17ad | mp-1101228 | Add one Pr atom at the Cartesian coordinate [2.57 3.03 9.037] to the cif file. | data_image0
_chemical_formula_structural V4F18
_chemical_formula_sum "V4 F18"
_cell_length_a 5.15948158
_cell_length_b 5.15948158
_cell_length_c 14.418455
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural V4F18Pr
_chemical_formula_sum "V4 F18 Pr1"
_cell_length_a 5.15948158
_cell_length_b 5.15948158
_cell_length_c 14.418455
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998
_space_group_name_H-M_alt ... |
AddAtomAction | 0be2d399-cfe6-4134-8701-78310c574cd1 | mp-1104537 | Add one Ge atom at the Cartesian coordinate [6.949 1.347 4.974] to the cif file. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr4Ge
_chemical_formula_sum "Nd1 Al8 Cr4 Ge1"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_na... |
AddAtomAction | 63da15c3-995c-4470-b961-4b920fb254a9 | mp-545706 | Add one Tc atom at the Cartesian coordinate [11.153 4.491 0.455] to the cif file. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2Br2O4Tc
_chemical_formula_sum "Ca3 Cu2 Br2 O4 Tc1"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.... |
AddAtomAction | 85de547f-c636-4bdd-b9d9-051a56c36b70 | mp-1191832 | Add one Th atom at the Cartesian coordinate [4.962 5.293 3.056] to the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12Th
_chemical_formula_sum "Na2 Mo8 O12 Th1"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | ec086d1e-ef9a-4109-9650-a52e5c36b501 | mp-754658 | Add one N atom at the Cartesian coordinate [2.737 0.512 1.891] to the cif file. | data_image0
_chemical_formula_structural Te4O12
_chemical_formula_sum "Te4 O12"
_cell_length_a 5.12838914
_cell_length_b 4.80121244
_cell_length_c 8.3421979
_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 Te4O12N
_chemical_formula_sum "Te4 O12 N1"
_cell_length_a 5.12838914
_cell_length_b 4.80121244
_cell_length_c 8.3421979
_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 | c523f4bc-38c3-416e-a07f-341a898f69bf | mp-17822 | Add one Fe atom at the Cartesian coordinate [5.171 9.176 1.398] to the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Fe
_chemical_formula_sum "Dy8 Mo4 O24 Fe1"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space... |
AddAtomAction | 0d66a591-3f5f-4209-a7d0-d1dfa4153266 | mp-1026735 | Add one C atom at the Cartesian coordinate [0.05 5.485 8.346] to the cif file. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14SbC
_chemical_formula_sum "Ce1 Mg14 Sb1 C1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-... |
AddAtomAction | 3356b548-8797-4634-b112-5376cd8a284e | mp-558603 | Add one Ba atom at the Cartesian coordinate [ 0.736 6.171 10.754] to the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18Ba
_chemical_formula_sum "K4 Si8 O18 Ba1"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_g... |
AddAtomAction | d6dc7b0f-9199-4510-a76d-b328e8930350 | mp-754012 | Add one He atom at the Cartesian coordinate [-0.271 0.332 0.49 ] to the cif file. | data_image0
_chemical_formula_structural Mn2C4O12
_chemical_formula_sum "Mn2 C4 O12"
_cell_length_a 4.66888862
_cell_length_b 11.27689333
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta 120.0022389
_cell_angle_gamma 90.00444884
_space_group... | data_image0
_chemical_formula_structural Mn2C4O12He
_chemical_formula_sum "Mn2 C4 O12 He1"
_cell_length_a 4.66888862
_cell_length_b 11.27689333
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta 120.0022389
_cell_angle_gamma 90.00444884
_space... |
AddAtomAction | db3cafc8-39ab-424b-87a8-6b2c92c9cf60 | mp-1026930 | Add one Gd atom at the Cartesian coordinate [ 2.011 2.094 27.036] to the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S4Gd
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4 Gd1"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_spa... |
AddAtomAction | 50586943-afb4-476d-9c18-82261aa22929 | mp-1041539 | Add one Nb atom at the Cartesian coordinate [-1.53 -0.994 2.549] to the cif file. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8Nb
_chemical_formula_sum "Ti4 Zn2 O8 Nb1"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_g... |
AddAtomAction | 25b1b75b-f4ad-4ec9-8b91-0e8319528976 | mp-543011 | Add one Sc atom at the Cartesian coordinate [49.1 4.883 2.986] to the cif file. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7Sc
_chemical_formula_sum "Zn7 S7 Sc1"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_... |
AddAtomAction | c10585ed-9427-42ac-98cb-21b3d9999efa | mp-1029915 | Add one Ag atom at the Cartesian coordinate [ 2.118 1.774 11.797] to the cif file. | data_image0
_chemical_formula_structural Ca8Sn4N8
_chemical_formula_sum "Ca8 Sn4 N8"
_cell_length_a 6.19494953
_cell_length_b 6.19494953
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.08566149
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ca8Sn4N8Ag
_chemical_formula_sum "Ca8 Sn4 N8 Ag1"
_cell_length_a 6.19494953
_cell_length_b 6.19494953
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.08566149
_space_group_name_H-M_alt ... |
AddAtomAction | e35fcd01-f472-44f8-85b8-5b35fa8aa819 | mp-760977 | Add one Te atom at the Cartesian coordinate [2.125 1.256 4.9 ] to the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10Te
_chemical_formula_sum "Ni6 O2 F10 Te1"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_... |
AddAtomAction | c38f948a-b6e4-40f4-a738-76b8e181c223 | mp-1209044 | Add one Zn atom at the Cartesian coordinate [1.158 4.499 9.684] to the cif file. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12Zn
_chemical_formula_sum "Sc20 Sb12 Zn1"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | fd96c80a-0d3a-4633-a0c9-ac60a767c6e3 | mp-675770 | Add one N atom at the Cartesian coordinate [4.002 3.383 0.228] to the cif file. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10N
_chemical_formula_sum "Nd3 U2 O10 N1"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.0886070... |
AddAtomAction | 6ff2ca89-9b4f-4f71-b8c0-6358ae232962 | mp-1147737 | Add one As atom at the Cartesian coordinate [8.702 4.206 9.094] to the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8As
_chemical_formula_sum "Li4 Zn1 P2 S8 As1"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_spa... |
AddAtomAction | f971ef85-0057-42f3-ae22-d18e5d18f930 | mp-693620 | Add one Mc atom at the Cartesian coordinate [-2.807 8.114 2.723] to the cif file. | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60
_chemical_formula_sum "K2 Ca4 Be4 Al2 Si24 O60"
_cell_length_a 10.47966448
_cell_length_b 10.47966448
_cell_length_c 14.094663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96705842
_space_gr... | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60Mc
_chemical_formula_sum "K2 Ca4 Be4 Al2 Si24 O60 Mc1"
_cell_length_a 10.47966448
_cell_length_b 10.47966448
_cell_length_c 14.094663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96705842
_sp... |
AddAtomAction | 005a13ee-284e-47e4-930b-ba446a282ee8 | mp-1573889 | Add one S atom at the Cartesian coordinate [6.133 9.197 0.178] to the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural Na8Fe4O12S
_chemical_formula_sum "Na8 Fe4 O12 S1"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.121971879999... |
AddAtomAction | 55dcf0fa-e112-4745-86c8-8b04f01a216c | mp-1203061 | Add one V atom at the Cartesian coordinate [4.026 6.547 3.337] to the cif file. | data_image0
_chemical_formula_structural Tc8F32
_chemical_formula_sum "Tc8 F32"
_cell_length_a 5.3816679
_cell_length_b 9.33728238
_cell_length_c 11.21256405
_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 Tc8F32V
_chemical_formula_sum "Tc8 F32 V1"
_cell_length_a 5.3816679
_cell_length_b 9.33728238
_cell_length_c 11.21256405
_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 | 691c992c-9162-45a0-95cd-bbd3baa71eb8 | mp-2231186 | Add one Nh atom at the Cartesian coordinate [2.055 5.245 7.328] to the cif file. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10Nh
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10 Nh1"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma ... |
AddAtomAction | ff53ec66-224b-4109-9fd8-a02387a7fa28 | mp-761710 | Add one Mg atom at the Cartesian coordinate [4.738 4.503 3.979] to the cif file. | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... | data_image0
_chemical_formula_structural Li2Fe2Co2O8Mg
_chemical_formula_sum "Li2 Fe2 Co2 O8 Mg1"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.18492001000... |
AddAtomAction | 9dbd6878-b369-45bb-a071-adf90020d0f9 | mp-1746 | Add one Lv atom at the Cartesian coordinate [4.635 1.329 2.06 ] to the cif file. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_num... | data_image0
_chemical_formula_structural Mg4F8Lv
_chemical_formula_sum "Mg4 F8 Lv1"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_... |
AddAtomAction | b79408fb-c95b-44dd-84f5-d32f178c0b98 | mp-1228452 | Add one Mn atom at the Cartesian coordinate [1.304 3.754 4.947] to the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18Mn
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18 Mn1"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space... |
AddAtomAction | 8f9b525f-b74d-49c3-a35b-12a35b8ce254 | mp-28802 | Add one Hf atom at the Cartesian coordinate [0.045 1.473 4.152] to the cif file. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F14Hf
_chemical_formula_sum "Sr4 Zn3 F14 Hf1"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_spac... |
AddAtomAction | e2e86e68-8c2f-469a-9254-511188a444cd | mp-754293 | Add one Fm atom at the Cartesian coordinate [2.305 1.633 0.984] to the cif file. | data_image0
_chemical_formula_structural Co6O4F8
_chemical_formula_sum "Co6 O4 F8"
_cell_length_a 4.582993
_cell_length_b 5.659017
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Co6O4F8Fm
_chemical_formula_sum "Co6 O4 F8 Fm1"
_cell_length_a 4.582993
_cell_length_b 5.659017
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | b438b7bb-4e68-435c-87a3-25882edc6a56 | mp-752419 | Add one Pt atom at the Cartesian coordinate [4.823 5.19 4.946] to the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16Pt
_chemical_formula_sum "Sr4 Ca4 I16 Pt1"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 99c19caf-b39c-4fdf-b230-715e733eb25a | mp-28251 | Add one Ra atom at the Cartesian coordinate [4.545 2.36 0.58 ] to the cif file. | data_image0
_chemical_formula_structural Ta4Zn6O16
_chemical_formula_sum "Ta4 Zn6 O16"
_cell_length_a 6.11858135
_cell_length_b 6.11857964
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gamma 86.94086499
_space_grou... | data_image0
_chemical_formula_structural Ta4Zn6O16Ra
_chemical_formula_sum "Ta4 Zn6 O16 Ra1"
_cell_length_a 6.11858135
_cell_length_b 6.11857964
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gamma 86.94086499
_spac... |
AddAtomAction | 1baa1bb8-ac28-4138-8a32-05d164b239bd | mp-1045008 | Add one Cs atom at the Cartesian coordinate [1.426 0.541 0.989] to the cif file. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7Cs
_chemical_formula_sum "Ba2 Al1 W3 O7 Cs1"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 | 0ba9f452-75dc-4fdd-ba5a-e18fafa23160 | mp-1213522 | Add one Mn atom at the Cartesian coordinate [7.28 5.327 8.576] to the cif file. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68Mn
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68 Mn1"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
AddAtomAction | 948cf51d-04c8-4e7d-8488-a8165aec1cb4 | mp-1040411 | Add one Rf atom at the Cartesian coordinate [6.559 6.584 4.218] to the cif file. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31Rf
_chemical_formula_sum "Cs1 Hf1 Mg30 O31 Rf1"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.001... |
AddAtomAction | f6eba684-3b59-497e-b27e-5c88505344e3 | mp-1201281 | Add one Cn atom at the Cartesian coordinate [2.297 2.255 0.418] to the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O28Cn
_chemical_formula_sum "Cs4 Np4 Mo4 O28 Cn1"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 6a8e6690-744c-42b1-87c9-1c21849fd17f | mp-754915 | Add one Fm atom at the Cartesian coordinate [3.503 4.594 0.369] to the cif file. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O6Fm
_chemical_formula_sum "Na2 Fe2 O6 Fm1"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_grou... |
AddAtomAction | be16412f-b3f4-451a-b6e9-21afbccf277e | mp-1193985 | Add one Hs atom at the Cartesian coordinate [11.196 4.278 4.227] to the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Hs
_chemical_formula_sum "Ta2 Co21 B6 Hs1"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
AddAtomAction | 9fe1edc3-56d3-484a-a415-08972e45a66b | mp-1042619 | Add one P atom at the Cartesian coordinate [5.337 1.113 0.055] to the cif file. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O12P
_chemical_formula_sum "Mg1 Cu3 Sn4 O12 P1"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
AddAtomAction | a0d50d25-f00b-4023-b8cd-2d197187d421 | mp-1226835 | Add one Th atom at the Cartesian coordinate [1.03 4.618 7.513] to the cif file. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Al6Ru2Th
_chemical_formula_sum "Ce4 Al6 Ru2 Th1"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M... |
AddAtomAction | da3a83c5-6b7f-490f-8c2e-46a42875b278 | mp-7152 | Add one Tb atom at the Cartesian coordinate [2.03 7.757 4.557] 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 Cs2Zr2Cu2Se6Tb
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6 Tb1"
_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 | dc6135b6-d1ba-4705-9e2f-bf2571a3eaa9 | mp-768946 | Add one Mn atom at the Cartesian coordinate [5.074 8.792 5.479] to the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16Mn
_chemical_formula_sum "Li8 Cr6 Co2 O16 Mn1"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_spa... |
AddAtomAction | 80ab9008-0af2-4de0-8300-33c5d97f661d | mp-1180605 | Add one Si atom at the Cartesian coordinate [14.879 5.094 7.568] to the cif file. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S4O38Si
_chemical_formula_sum "Na2 Al2 S4 O38 Si1"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456... |
AddAtomAction | 49d732b9-eb22-4cb3-aadf-eb5ce6764f41 | mp-754936 | Add one S atom at the Cartesian coordinate [5.289 0.979 1.33 ] to the cif file. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6S
_chemical_formula_sum "Dy2 Al2 O6 S1"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_nam... |
AddAtomAction | 49571e76-b2be-4d26-ad9f-226ebd973dd3 | mp-1200529 | Add one Li atom at the Cartesian coordinate [3.78 1.331 5.654] to the cif file. | data_image0
_chemical_formula_structural Cu4As4Pb4O20
_chemical_formula_sum "Cu4 As4 Pb4 O20"
_cell_length_a 6.049413
_cell_length_b 8.473073
_cell_length_c 8.958571
_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 Cu4As4Pb4O20Li
_chemical_formula_sum "Cu4 As4 Pb4 O20 Li1"
_cell_length_a 6.049413
_cell_length_b 8.473073
_cell_length_c 8.958571
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | c9020417-c3e3-4dc8-b711-dc0a18e8a578 | mp-542449 | Add one P atom at the Cartesian coordinate [0.858 0.174 2.278] to the cif file. | data_image0
_chemical_formula_structural Sc5Cl8
_chemical_formula_sum "Sc5 Cl8"
_cell_length_a 3.56970842
_cell_length_b 9.51391888
_cell_length_c 9.733746090000002
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14940743
_space_group_name_... | data_image0
_chemical_formula_structural Sc5Cl8P
_chemical_formula_sum "Sc5 Cl8 P1"
_cell_length_a 3.56970842
_cell_length_b 9.51391888
_cell_length_c 9.733746090000002
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14940743
_space_group_n... |
AddAtomAction | 1ee15148-bba4-4ecd-bf23-c97279bcf82e | mp-22106 | Add one Pm atom at the Cartesian coordinate [1.167 4.857 5.761] to the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12Pm
_chemical_formula_sum "Nd4 Ni4 O12 Pm1"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 32419726-7019-462a-998d-b9409bec2f6a | mp-759390 | Add one Fm atom at the Cartesian coordinate [4.798 5.539 4.221] to the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Fm
_chemical_formula_sum "Li12 Bi8 P12 O48 Fm1"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 949f6946-a242-4902-89b4-788acf2ce079 | mp-780531 | Add one Re atom at the Cartesian coordinate [6.794 8.139 5.395] to the cif file. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12Mn12O32Re
_chemical_formula_sum "Na12 Mn12 O32 Re1"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 16f55030-cc15-49a1-beef-504fcd414db6 | mp-1225344 | Add one Eu atom at the Cartesian coordinate [2.549 3.961 2.721] to the cif file. | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14
_chemical_formula_sum "Dy4 Mn2 Sb2 O14"
_cell_length_a 7.32090987
_cell_length_b 7.320909870000001
_cell_length_c 7.3209098699999995
_cell_angle_alpha 121.66856854000002
_cell_angle_beta 118.61004259
_cell_angle_gamma 8... | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14Eu
_chemical_formula_sum "Dy4 Mn2 Sb2 O14 Eu1"
_cell_length_a 7.32090987
_cell_length_b 7.320909870000001
_cell_length_c 7.3209098699999995
_cell_angle_alpha 121.66856854000002
_cell_angle_beta 118.61004259
_cell_angle_gamm... |
AddAtomAction | b70a5584-0955-4a0a-a382-afbd8bf0b645 | mp-1522797 | Add one Db atom at the Cartesian coordinate [5.075 3.457 1.375] to the cif file. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6Db
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6 Db1"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00... |
AddAtomAction | b476a2d8-8ccc-4c98-8332-b30866360e98 | mp-2426125 | Add one Cf atom at the Cartesian coordinate [0.331 0.75 8.587] to the cif file. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg18Sn10Cf
_chemical_formula_sum "Mg18 Sn10 Cf1"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_s... |
AddAtomAction | 03779d58-3148-44f1-a3ef-5aea05a973c1 | mp-3073 | Add one Es atom at the Cartesian coordinate [7.13 4.945 5.762] to the cif file. | data_image0
_chemical_formula_structural Sm4Te8O22
_chemical_formula_sum "Sm4 Te8 O22"
_cell_length_a 6.78496314
_cell_length_b 6.78496314
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta 75.59757158
_cell_angle_gamma 45.011500870000006
_space_gro... | data_image0
_chemical_formula_structural Sm4Te8O22Es
_chemical_formula_sum "Sm4 Te8 O22 Es1"
_cell_length_a 6.78496314
_cell_length_b 6.78496314
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta 75.59757158
_cell_angle_gamma 45.011500870000006
_spa... |
AddAtomAction | d8371ea2-6f49-4b15-89ff-2dae64f5e112 | mp-1043368 | Add one Ni atom at the Cartesian coordinate [6.403 3.625 7.928] to the cif file. | data_image0
_chemical_formula_structural V4Zn4Ge8O24
_chemical_formula_sum "V4 Zn4 Ge8 O24"
_cell_length_a 9.385584
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V4Zn4Ge8O24Ni
_chemical_formula_sum "V4 Zn4 Ge8 O24 Ni1"
_cell_length_a 9.385584
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 2339fc29-cce6-40a1-885f-832d63e84ee8 | mp-698134 | Add one Mo atom at the Cartesian coordinate [15.704 4.324 3.255] to the cif file. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20Mo
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20 Mo1"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
AddAtomAction | 9c404b7e-15db-4624-8245-33be5c6426e6 | mp-1516503 | Add one Mc atom at the Cartesian coordinate [6.83 3.54 3.256] to the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6Mc
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6 Mc1"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
AddAtomAction | bbb2a3e6-215c-4e6e-bdc9-b1b08e5d20da | mp-1105549 | Add one Ac atom at the Cartesian coordinate [3.079 6.745 2.222] to the cif file. | data_image0
_chemical_formula_structural Ba4Hf4S12
_chemical_formula_sum "Ba4 Hf4 S12"
_cell_length_a 7.01916792
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_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 Ba4Hf4S12Ac
_chemical_formula_sum "Ba4 Hf4 S12 Ac1"
_cell_length_a 7.01916792
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | fb11e1a2-26ee-450f-b57c-fc24f8008fbc | mp-1193899 | Add one Ag atom at the Cartesian coordinate [-6.674 4.058 1.962] to the cif file. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14Ag
_chemical_formula_sum "Ta8 Fe8 Si14 Ag1"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_sp... |
AddAtomAction | ea99b072-b5d8-4c61-b66d-166b71a4f178 | mp-1216402 | Add one O atom at the Cartesian coordinate [ 4.135 3.622 16.043] to the cif file. | data_image0
_chemical_formula_structural Y2U4B24Rh24
_chemical_formula_sum "Y2 U4 B24 Rh24"
_cell_length_a 5.335617
_cell_length_b 5.335617
_cell_length_c 22.517084
_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 Y2U4B24Rh24O
_chemical_formula_sum "Y2 U4 B24 Rh24 O1"
_cell_length_a 5.335617
_cell_length_b 5.335617
_cell_length_c 22.517084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | de8aff1f-2840-49e2-8024-116d565b6438 | mp-555792 | Add one P atom at the Cartesian coordinate [10.259 3.098 4.162] to the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12P
_chemical_formula_sum "Na2 Os4 O12 P1"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
AddAtomAction | 3d2132e7-1bb0-4981-9c4b-ac5ce8cf6433 | mp-613620 | Add one Hf atom at the Cartesian coordinate [4.695 0.064 4.834] to the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24Hf
_chemical_formula_sum "Rh16 O24 Hf1"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name... |
AddAtomAction | 2ab512b7-1609-47c9-a447-ced329bfd679 | mp-1195683 | Add one Fr atom at the Cartesian coordinate [2.649 6.384 8.241] to the cif file. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_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 Na10Lu2H8C8O28Fr
_chemical_formula_sum "Na10 Lu2 H8 C8 O28 Fr1"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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