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 | 0853de9f-21ae-4272-8e37-d5c683ceffa1 | mp-1191448 | Add one Ta atom at the Cartesian coordinate [2.748 5.36 1.102] to the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16Ta
_chemical_formula_sum "Co2 I4 O16 Ta1"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_n... |
AddAtomAction | 4ef70fea-959e-4ae1-84a4-937d4d4529db | mp-558801 | Add one Zr atom at the Cartesian coordinate [3.424 5.607 0.21 ] to the cif file. | data_image0
_chemical_formula_structural K4Pr8Cl18O4
_chemical_formula_sum "K4 Pr8 Cl18 O4"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K4Pr8Cl18O4Zr
_chemical_formula_sum "K4 Pr8 Cl18 O4 Zr1"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 46c5e5e4-85a1-4d0b-b933-11b10e74a501 | mp-1192120 | Add one Tm atom at the Cartesian coordinate [-12.899 -2.951 3.337] to the cif file. | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... | data_image0
_chemical_formula_structural Si3N6F12Tm
_chemical_formula_sum "Si3 N6 F12 Tm1"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24... |
AddAtomAction | a418100e-389c-4a8e-aa73-bc47be624802 | mp-1216954 | Add one Sb atom at the Cartesian coordinate [2.608 5.734 4.079] to the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Sb
_chemical_formula_sum "Tm6 Sc6 Ge6 Sb1"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_spac... |
AddAtomAction | 43ed3a68-ab98-408d-a49a-50ff8645fd1b | mp-1204089 | Add one Md atom at the Cartesian coordinate [13.971 3.283 8.651] to the cif file. | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... | data_image0
_chemical_formula_structural Cs6Li6U6P12S48Md
_chemical_formula_sum "Cs6 Li6 U6 P12 S48 Md1"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.4617866... |
AddAtomAction | 053f15a7-3aa5-4eec-89d0-02963fba3438 | mp-1193266 | Add one Ni atom at the Cartesian coordinate [ 3.489 -0.034 1.566] to the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4Ni
_chemical_formula_sum "Al2 H16 C6 N2 Cl4 Ni1"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843... |
AddAtomAction | cfef49cb-efd5-4228-a401-5286ff20bb07 | mp-2228948 | Add one Si atom at the Cartesian coordinate [ 3.235 -0.012 4.43 ] to the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10Si
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10 Si1"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102... |
AddAtomAction | 2b03840f-a939-4f7b-946b-911d112f04b3 | mp-1213259 | Add one La atom at the Cartesian coordinate [3.65 3.433 5.863] to the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 Mn32Sn20La
_chemical_formula_sum "Mn32 Sn20 La1"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
AddAtomAction | 182d9a8c-17af-4741-b30a-a2e2cd56a13c | mp-1028199 | Add one La atom at the Cartesian coordinate [2.141 2.908 2.03 ] to the cif file. | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14AlZnLa
_chemical_formula_sum "Mg14 Al1 Zn1 La1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_al... |
AddAtomAction | b8ed608b-8aa1-474d-acf5-68e4ecae34bc | mp-1202393 | Add one Og atom at the Cartesian coordinate [5.493 7.233 3.057] to the cif file. | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural U2Al8B6O28Og
_chemical_formula_sum "U2 Al8 B6 O28 Og1"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
AddAtomAction | 0d4fd0d6-f6f6-40bb-92a3-ba708d92b459 | mp-1174755 | Add one Es atom at the Cartesian coordinate [3.964 5.962 3.565] to the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Es
_chemical_formula_sum "Li8 Mn2 Co4 O14 Es1"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
... |
AddAtomAction | aab98d77-991b-423b-9d46-661813bcacf1 | mp-1520190 | Add one Mg atom at the Cartesian coordinate [6.359 2.804 0.053] to the cif file. | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural BaCeInSbO6Mg
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6 Mg1"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
AddAtomAction | d1e2a3d7-6e84-4cf2-923a-a36a63247981 | mp-630329 | Add one Ag atom at the Cartesian coordinate [2.513 4.922 3.926] to the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24Ag
_chemical_formula_sum "Pb8 Se8 O24 Ag1"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | a67f9d10-809d-4569-8cd1-4b4fc0dbb0ab | mp-1100732 | Add one Cm atom at the Cartesian coordinate [ 1.838 4.225 16.645] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Cm
_chemical_formula_sum "Li9 Mn2 Co5 O16 Cm1"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 22b48425-e9cf-47ba-a5b0-5a707ac0a35b | mp-645694 | Add one Rn atom at the Cartesian coordinate [3.038 0.061 0.071] to the cif file. | data_image0
_chemical_formula_structural Ce12Lu4Se24
_chemical_formula_sum "Ce12 Lu4 Se24"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_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 Ce12Lu4Se24Rn
_chemical_formula_sum "Ce12 Lu4 Se24 Rn1"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 8e931b63-3ec2-426b-911a-960fb4b42444 | mp-554397 | Add one Ra atom at the Cartesian coordinate [4.01 6.828 4.964] to the cif file. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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 Si8O16Ra
_chemical_formula_sum "Si8 O16 Ra1"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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 | 1a6e0ad5-f91c-404a-afa5-1933dfb9d176 | mp-2228450 | Add one Al atom at the Cartesian coordinate [-1.283 0.141 4.613] to the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8Al
_chemical_formula_sum "Mg1 Mn3 Cd2 O8 Al1"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.5243589000... |
AddAtomAction | c10134e8-03de-4c8c-87bb-8d3e75dfc4c3 | mp-736701 | Add one Db atom at the Cartesian coordinate [21.116 6.658 2.499] to the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40Db
_chemical_formula_sum "P16 Pt4 I4 O40 Db1"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 898cca32-2c7f-4cf8-9ff6-5a9b441e59fe | mp-560156 | Add one Ho atom at the Cartesian coordinate [3.866 6.799 8.101] to the cif file. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr4Tl4V4O16Ho
_chemical_formula_sum "Sr4 Tl4 V4 O16 Ho1"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 96befdf0-6da7-4657-b334-acc4c247de85 | mp-1223453 | Add one Kr atom at the Cartesian coordinate [0.132 2.322 7.384] 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 La2Ga5Au3Kr
_chemical_formula_sum "La2 Ga5 Au3 Kr1"
_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 | 5e9c16be-0d27-48e9-a86c-4ec794d29fb1 | mp-13602 | Add one Rn atom at the Cartesian coordinate [0.991 5.504 2.391] to the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32Rn
_chemical_formula_sum "Cd12 As8 O32 Rn1"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | d8a939a5-71d5-4a73-a3b0-2e98ffc88708 | mp-1212542 | Add one Og atom at the Cartesian coordinate [0.311 0.322 9.936] to the cif file. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C6I2N12O2Og
_chemical_formula_sum "H18 C6 I2 N12 O2 Og1"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428... |
AddAtomAction | 5b760a2f-27cc-493d-9efc-c83b79063c8e | mp-755195 | Add one Zr atom at the Cartesian coordinate [4.949 1.347 3.124] to the cif file. | data_image0
_chemical_formula_structural Fe6O10F2
_chemical_formula_sum "Fe6 O10 F2"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 70.7014... | data_image0
_chemical_formula_structural Fe6O10F2Zr
_chemical_formula_sum "Fe6 O10 F2 Zr1"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 7... |
AddAtomAction | 87448290-392f-4dd1-835a-126a86b1af7b | mp-770517 | Add one Lv atom at the Cartesian coordinate [0.604 4.272 7.52 ] to the cif file. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li36Al4Ni8O32Lv
_chemical_formula_sum "Li36 Al4 Ni8 O32 Lv1"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | a1f112f7-c0a3-4171-b6ae-e07ad0837af9 | mp-12491 | Add one Tc atom at the Cartesian coordinate [0.878 4.391 1.152] to the cif file. | data_image0
_chemical_formula_structural Cs2La2Cd2Te6
_chemical_formula_sum "Cs2 La2 Cd2 Te6"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2La2Cd2Te6Tc
_chemical_formula_sum "Cs2 La2 Cd2 Te6 Tc1"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name... |
AddAtomAction | e07060b8-db96-4015-b82c-5394b9abb663 | mp-1517360 | Add one Ho atom at the Cartesian coordinate [4.713 4.573 4.912] to the cif file. | data_image0
_chemical_formula_structural BaDyTi4O12
_chemical_formula_sum "Ba1 Dy1 Ti4 O12"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_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 BaDyTi4O12Ho
_chemical_formula_sum "Ba1 Dy1 Ti4 O12 Ho1"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 94bc0dbf-8ef0-4d7d-b014-95f5994241c7 | mp-1213576 | Add one Tm atom at the Cartesian coordinate [14.983 5.93 7.682] to the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12Tm
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12 Tm1"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
AddAtomAction | 2a15ced9-77c6-42ff-8530-6bcd76967e81 | mp-556027 | Add one Pt atom at the Cartesian coordinate [5.547 1.94 0.221] to the cif file. | data_image0
_chemical_formula_structural Si6O12
_chemical_formula_sum "Si6 O12"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Si6O12Pt
_chemical_formula_sum "Si6 O12 Pt1"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_nam... |
AddAtomAction | 1317eebd-1869-4c49-bbfb-8760157be3ca | mp-16415 | Add one Tc atom at the Cartesian coordinate [5.125 0.605 4.949] to the cif file. | data_image0
_chemical_formula_structural La4Pd4O12
_chemical_formula_sum "La4 Pd4 O12"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.99945815000001
... | data_image0
_chemical_formula_structural La4Pd4O12Tc
_chemical_formula_sum "La4 Pd4 O12 Tc1"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.9994581500... |
AddAtomAction | 01572573-4e0e-416b-bbef-10eab156cc2a | mp-776235 | Add one Bi atom at the Cartesian coordinate [1.644 0.01 9.448] to the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr8N8O4Bi
_chemical_formula_sum "Zr8 N8 O4 Bi1"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 | 38cbc0e8-0221-4c58-8613-ce982ff2b42b | mp-1111700 | Add one V atom at the Cartesian coordinate [9.903 6.312 4.11 ] to the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6V
_chemical_formula_sum "Na3 Tl1 Br6 V1"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
AddAtomAction | b4a224f4-af33-41e5-a79e-8c0afd56437c | mp-758121 | Add one Mt atom at the Cartesian coordinate [3.343 3.887 4.993] to the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18Mt
_chemical_formula_sum "Fe4 C6 O18 Mt1"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_grou... |
AddAtomAction | 276e1807-9e6d-4605-b3e0-b0387fd35987 | mp-1111403 | Add one Pb atom at the Cartesian coordinate [5.217 5.183 1.522] to the cif file. | data_image0
_chemical_formula_structural Rb2BiAuF6
_chemical_formula_sum "Rb2 Bi1 Au1 F6"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2BiAuF6Pb
_chemical_formula_sum "Rb2 Bi1 Au1 F6 Pb1"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
AddAtomAction | b47f381b-4bc9-48d7-a524-6f2cfb174971 | mp-558751 | Add one Pd atom at the Cartesian coordinate [7.194 7.037 5.286] to the cif file. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32Pd
_chemical_formula_sum "Ca8 Bi16 O32 Pd1"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
... |
AddAtomAction | 9ea51300-29b3-43c4-beb8-ec6e15ac60d7 | mp-1191760 | Add one Fe atom at the Cartesian coordinate [4.038 8.083 9.341] to the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15Fe
_chemical_formula_sum "Na5 V2 P3 O15 Fe1"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_spa... |
AddAtomAction | d2f9c4bf-7868-40f3-83d9-3051e4b00eff | mp-777849 | Add one Ru atom at the Cartesian coordinate [7.388 2.855 5.059] to the cif file. | data_image0
_chemical_formula_structural Nb3P6WO24
_chemical_formula_sum "Nb3 P6 W1 O24"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group_nam... | data_image0
_chemical_formula_structural Nb3P6WO24Ru
_chemical_formula_sum "Nb3 P6 W1 O24 Ru1"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_gro... |
AddAtomAction | c8d641a4-2a32-432a-8c51-b53bf7523964 | mp-9107 | Add one Nb atom at the Cartesian coordinate [4.579 0.401 1.975] to the cif file. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6Nb
_chemical_formula_sum "Na2 Zr2 Cu2 S6 Nb1"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_gr... |
AddAtomAction | c8454033-e04b-4f9d-9876-5f073ecd7c4d | mp-770952 | Add one Nd atom at the Cartesian coordinate [0.659 0.28 0.461] to the cif file. | data_image0
_chemical_formula_structural Li4Co3NiP4O16
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Co3NiP4O16Nd
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16 Nd1"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | 4361008f-d652-4eef-91be-29469c72230a | mp-1198961 | Add one Ts atom at the Cartesian coordinate [10.016 10.745 1.964] to the cif file. | data_image0
_chemical_formula_structural Tl4Co4Br24N24
_chemical_formula_sum "Tl4 Co4 Br24 N24"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_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 Tl4Co4Br24N24Ts
_chemical_formula_sum "Tl4 Co4 Br24 N24 Ts1"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | c0739301-e8eb-4e2b-b299-d15ed71e855f | mp-1111648 | Add one Fr atom at the Cartesian coordinate [7.688 2.875 5.744] to the cif file. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2NaDyCl6Fr
_chemical_formula_sum "K2 Na1 Dy1 Cl6 Fr1"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
AddAtomAction | 53aabe83-1669-4afe-98b0-eae9b3eae2fa | mp-1519755 | Add one Ce atom at the Cartesian coordinate [4.18 5.254 2.253] to the cif file. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6Ce
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6 Ce1"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_... |
AddAtomAction | 2544b491-0317-4107-8886-ea4ef8205e14 | mp-1212166 | Add one In atom at the Cartesian coordinate [3.913 5.126 2.149] to the cif file. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O16In
_chemical_formula_sum "Li2 Eu2 W4 O16 In1"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | c8a12235-4b5a-46b6-bddb-a1fad5eecaa3 | mp-554508 | Add one Ir atom at the Cartesian coordinate [0.527 5.8 2.856] to the cif file. | data_image0
_chemical_formula_structural K4Y4P8O28
_chemical_formula_sum "K4 Y4 P8 O28"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Y4P8O28Ir
_chemical_formula_sum "K4 Y4 P8 O28 Ir1"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_a... |
AddAtomAction | a00e99c0-ed06-40d9-a036-f69ef505a8c5 | mp-1234735 | Add one Cs atom at the Cartesian coordinate [ 5.129 1.164 11.413] to the cif file. | data_image0
_chemical_formula_structural MgMn8Si10O30
_chemical_formula_sum "Mg1 Mn8 Si10 O30"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94.78790... | data_image0
_chemical_formula_structural MgMn8Si10O30Cs
_chemical_formula_sum "Mg1 Mn8 Si10 O30 Cs1"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94... |
AddAtomAction | 1a93cabd-cf24-4e3a-9d6d-1b5c057aee43 | mp-1176984 | Add one Lr atom at the Cartesian coordinate [-0.684 -1.118 9.88 ] to the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Lr
_chemical_formula_sum "Li12 Mn2 V6 P12 O48 Lr1"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2... |
AddAtomAction | 11ee300e-98dc-4375-a465-f7af75cdc9ce | mp-2229854 | Add one Cs atom at the Cartesian coordinate [-0.972 -2.464 4.999] to the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10Cs
_chemical_formula_sum "Mg1 Pb4 W2 O10 Cs1"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
... |
AddAtomAction | 19b25ad7-138c-4229-b686-a62a6b1f378d | mp-1102093 | Add one Es atom at the Cartesian coordinate [0.258 3.411 2.363] to the cif file. | data_image0
_chemical_formula_structural Eu4I8
_chemical_formula_sum "Eu4 I8"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 Eu4I8Es
_chemical_formula_sum "Eu4 I8 Es1"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 | d0130474-90b4-4c9c-8e9f-6343f0f04e54 | mp-1517276 | Add one Hs atom at the Cartesian coordinate [5.7 5.628 2.548] to the cif file. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO6Hs
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6 Hs1"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | 39ab88de-84e5-44c9-8a06-6c7088023506 | mp-1095216 | Add one Lu atom at the Cartesian coordinate [3.843 2.015 2.114] to the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Lu
_chemical_formula_sum "Nd2 As2 O8 Lu1"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928... |
AddAtomAction | 5bfd7591-d7df-4f61-bc81-8ac0c45e74cf | mp-695305 | Add one Mn atom at the Cartesian coordinate [1.148 3.019 6.908] to the cif file. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24Mn
_chemical_formula_sum "Na8 C8 S8 O24 F24 Mn1"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447... |
AddAtomAction | 72b556a1-e9d8-4ce6-9d44-e6066c9d8f45 | mp-850204 | Add one Fr atom at the Cartesian coordinate [18.839 2.127 0.334] 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 Li5Co2O2F5Fr
_chemical_formula_sum "Li5 Co2 O2 F5 Fr1"
_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 | fc24cd29-6fd8-465b-9db0-67192c5bd531 | mp-998613 | Add one Mc atom at the Cartesian coordinate [7.005 3.179 3.327] to the cif file. | data_image0
_chemical_formula_structural K2Ge2Cl6
_chemical_formula_sum "K2 Ge2 Cl6"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Ge2Cl6Mc
_chemical_formula_sum "K2 Ge2 Cl6 Mc1"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_n... |
AddAtomAction | 78a3529c-56a9-401e-95fb-53812618ef05 | mp-1039951 | Add one Mg atom at the Cartesian coordinate [2.137 1.101 1.16 ] to the cif file. | data_image0
_chemical_formula_structural RbCeMg30O32
_chemical_formula_sum "Rb1 Ce1 Mg30 O32"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_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 RbCeMg30O32Mg
_chemical_formula_sum "Rb1 Ce1 Mg31 O32"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 8592a717-a171-48a9-889e-0ff070294068 | mp-1192809 | Add one Mt atom at the Cartesian coordinate [2.687 5.386 9.062] to the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ag4N12O12Mt
_chemical_formula_sum "Ag4 N12 O12 Mt1"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | d3ff8a30-0d26-4c53-9b63-cc18f799de7f | mp-757738 | Add one Th atom at the Cartesian coordinate [3.804 4.393 0.941] to the cif file. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe19Co5O32Th
_chemical_formula_sum "Fe19 Co5 O32 Th1"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89... |
AddAtomAction | 929c20be-d2e9-4470-95ae-21dd98605737 | mp-726253 | Add one Ce atom at the Cartesian coordinate [3.639 0.568 3.79 ] to the cif file. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9Ce
_chemical_formula_sum "Rb1 Li3 S2 O9 Ce1"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_sp... |
AddAtomAction | 201ec7aa-e4e5-423e-b557-ed27147a889d | mp-684504 | Add one Es atom at the Cartesian coordinate [ 5.007 10.567 2.776] to the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Es
_chemical_formula_sum "Li12 Bi8 P12 O48 Es1"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | e5ff26f4-3bc9-40ca-b67d-72db98a3a245 | mp-1034797 | Add one Tb atom at the Cartesian coordinate [3.4 2.084 6.915] to the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15Tb
_chemical_formula_sum "Rb1 Na1 Mg14 O15 Tb1"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | b1c56941-8553-4a47-84d3-354362d6e89c | mp-1229194 | Add one Ds atom at the Cartesian coordinate [5.213 9.153 6.701] to the cif file. | data_image0
_chemical_formula_structural Ag2Au2I8O24
_chemical_formula_sum "Ag2 Au2 I8 O24"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ag2Au2I8O24Ds
_chemical_formula_sum "Ag2 Au2 I8 O24 Ds1"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | b41d5828-1c14-4d4c-bb8e-bb0697b327bf | mp-1209759 | Add one Ne atom at the Cartesian coordinate [4.638 8.981 3.752] to the cif file. | data_image0
_chemical_formula_structural Pr3Sb4Pt7
_chemical_formula_sum "Pr3 Sb4 Pt7"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pr3Sb4Pt7Ne
_chemical_formula_sum "Pr3 Sb4 Pt7 Ne1"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_nam... |
AddAtomAction | 878b43a1-7e7e-4035-9159-4badce33fada | mp-1209918 | Add one Cr atom at the Cartesian coordinate [2.476 3.19 5.384] to the cif file. | data_image0
_chemical_formula_structural NaYPd6O8
_chemical_formula_sum "Na1 Y1 Pd6 O8"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 NaYPd6O8Cr
_chemical_formula_sum "Na1 Y1 Pd6 O8 Cr1"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 | 37489a81-2752-44b5-9839-64145e9be9fd | mp-753161 | Add one Gd atom at the Cartesian coordinate [0.919 5.727 1.538] 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 Li8V4O8F8Gd
_chemical_formula_sum "Li8 V4 O8 F8 Gd1"
_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 | 71eb4249-77f4-49ea-ac63-88c6ab3b87ae | mp-1246029 | Add one No atom at the Cartesian coordinate [-0.407 2.534 3.567] to the cif file. | data_image0
_chemical_formula_structural Ca6Cr4N8
_chemical_formula_sum "Ca6 Cr4 N8"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_name_H... | data_image0
_chemical_formula_structural Ca6Cr4N8No
_chemical_formula_sum "Ca6 Cr4 N8 No1"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_... |
AddAtomAction | 83e45f55-732a-4bf6-94fb-9d7de5468819 | mp-562239 | Add one Sn atom at the Cartesian coordinate [2.178 5.098 5.449] to the cif file. | data_image0
_chemical_formula_structural V8P8Pb4O40
_chemical_formula_sum "V8 P8 Pb4 O40"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural V8P8Pb4O40Sn
_chemical_formula_sum "V8 P8 Pb4 O40 Sn1"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | b86e671d-856c-49cf-9afe-4f3ac9fe80c1 | mp-1174751 | Add one Zn atom at the Cartesian coordinate [2.319 2.096 5.857] to the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Zn
_chemical_formula_sum "Li8 Mn2 Co4 O14 Zn1"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
... |
AddAtomAction | b0d94b9d-eb41-42ec-b029-f6803757e173 | mp-1194859 | Add one Ho atom at the Cartesian coordinate [-1.758 0.631 10.239] to the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32Ho
_chemical_formula_sum "Al4 V4 Te8 O32 Ho1"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 42f1adc9-d9fe-47a4-9986-55ba982d99ac | mp-24598 | Add one Al atom at the Cartesian coordinate [ 5.798 10.081 6.655] to the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Al
_chemical_formula_sum "Ba4 V4 P8 H16 O40 Al1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | 50234d23-8817-4c04-b14e-c0dd90285dd6 | mp-1197379 | Add one Se atom at the Cartesian coordinate [3.37 7.662 3.353] to the cif file. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28Se
_chemical_formula_sum "Y2 N6 O28 Se1"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_... |
AddAtomAction | c933cc02-48c6-43d9-b193-f3346a83266f | mp-1044845 | Add one Rn atom at the Cartesian coordinate [3.898 4.327 3.063] to the cif file. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F33Rn
_chemical_formula_sum "Ba6 Al3 Fe6 F33 Rn1"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_... |
AddAtomAction | 9af83a87-3cbf-44ac-a09f-ee5b0a9362e7 | mp-1209559 | Add one Cn atom at the Cartesian coordinate [11.518 17.965 0.995] to the cif file. | data_image0
_chemical_formula_structural Sc2Zn20B16Rh36
_chemical_formula_sum "Sc2 Zn20 B16 Rh36"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_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 Sc2Zn20B16Rh36Cn
_chemical_formula_sum "Sc2 Zn20 B16 Rh36 Cn1"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | a94dc170-a86a-49b8-b3ca-307056cf6a69 | mp-1208371 | Add one As atom at the Cartesian coordinate [4.7 9.818 5.82 ] to the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tl4N8Cl20O4As
_chemical_formula_sum "Tl4 N8 Cl20 O4 As1"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 0b1bc0f2-f371-4d78-bc83-21d65576fd5d | mp-779533 | Add one Og atom at the Cartesian coordinate [3.129 6.985 8.293] to the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O8Og
_chemical_formula_sum "Ba12 Br8 O8 Og1"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 | a69fda9c-d2ca-49ea-9647-3857a6798e8a | mp-1202068 | Add one Ac atom at the Cartesian coordinate [6.389 5.319 3.237] to the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Ac
_chemical_formula_sum "Pd2 C8 S8 I4 N16 Ac1"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1... |
AddAtomAction | 699fda8a-aa7e-426b-a726-8792fbcbeac0 | mp-1211531 | Add one Pd atom at the Cartesian coordinate [1.064 3.846 0.121] to the cif file. | data_image0
_chemical_formula_structural Li3TaF6
_chemical_formula_sum "Li3 Ta1 F6"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.40085885
... | data_image0
_chemical_formula_structural Li3TaF6Pd
_chemical_formula_sum "Li3 Ta1 F6 Pd1"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.4008... |
AddAtomAction | 4a635a0a-6854-4a4b-bc8d-674016e7136d | mp-570105 | Add one No atom at the Cartesian coordinate [9.195 9.316 7.487] to the cif file. | data_image0
_chemical_formula_structural K4Pt2C8I4N8
_chemical_formula_sum "K4 Pt2 C8 I4 N8"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural K4Pt2C8I4N8No
_chemical_formula_sum "K4 Pt2 C8 I4 N8 No1"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | dfdc51ac-10c1-42e6-880a-fef9cc473e92 | mp-1213837 | Add one Rf atom at the Cartesian coordinate [4.375 3.639 6.975] to the cif file. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14Rf
_chemical_formula_sum "Ce2 Hf2 F14 Rf1"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 0a61c359-6451-413a-a1e8-ae2b1c17ba3e | mp-1046426 | Add one Tl atom at the Cartesian coordinate [3.233 0.166 6.847] to the cif file. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16Tl
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16 Tl1"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_ga... |
AddAtomAction | 8d0972b9-c509-4e12-b6c1-2aeefb5382f0 | mp-1208448 | Add one Tl atom at the Cartesian coordinate [0.42 0.042 2.103] to the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12AgTl
_chemical_formula_sum "Tb4 Ga12 Ag1 Tl1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_s... |
AddAtomAction | a9d60682-42ea-41c8-ac19-75e9a0bc3050 | mp-758121 | Add one Mn atom at the Cartesian coordinate [-1.117 1.555 1.285] to the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18Mn
_chemical_formula_sum "Fe4 C6 O18 Mn1"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_grou... |
AddAtomAction | 345ed84f-c9df-4e59-ae29-9a04967f18ea | mp-1211422 | Add one Zn atom at the Cartesian coordinate [5.102 2.345 0.295] to the cif file. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2Pt2Br6N2Zn
_chemical_formula_sum "K2 Pt2 Br6 N2 Zn1"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_al... |
AddAtomAction | 603fd352-8c87-433d-af6e-62e9cf2515db | mp-532443 | Add one Pb atom at the Cartesian coordinate [ 0.298 10.368 1.487] to the cif file. | data_image0
_chemical_formula_structural Li10V10Cl32
_chemical_formula_sum "Li10 V10 Cl32"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li10V10Cl32Pb
_chemical_formula_sum "Li10 V10 Cl32 Pb1"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_na... |
AddAtomAction | 5a66eea3-cc82-47f5-8de3-208c0885bf89 | mp-1195795 | Add one Po atom at the Cartesian coordinate [28.833 3.212 10.129] to the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22Po
_chemical_formula_sum "La4 Y11 S22 Po1"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_s... |
AddAtomAction | 92d53185-d77d-4b46-aebe-48ce8f0d89e5 | mp-1245465 | Add one Rg atom at the Cartesian coordinate [5.52 3.711 1.424] to the cif file. | data_image0
_chemical_formula_structural Rb12Mo2N8
_chemical_formula_sum "Rb12 Mo2 N8"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 Rb12Mo2N8Rg
_chemical_formula_sum "Rb12 Mo2 N8 Rg1"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 | 74501ce2-c47e-4cf7-bfd6-ca31ade59ac5 | mp-758815 | Add one U atom at the Cartesian coordinate [7.679 7.847 8.379] to the cif file. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O48U
_chemical_formula_sum "Li8 Mn4 P16 O48 U1"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | e97e7d32-120f-469b-8a1f-18a82a043703 | mp-1200323 | Add one Dy atom at the Cartesian coordinate [4.574 9.095 4.202] to the cif file. | data_image0
_chemical_formula_structural Na12Nb4As8O36
_chemical_formula_sum "Na12 Nb4 As8 O36"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na12Nb4As8O36Dy
_chemical_formula_sum "Na12 Nb4 As8 O36 Dy1"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
AddAtomAction | 03a3d2e7-72c1-4bd8-98ca-a00665bc1a15 | mp-1185759 | Add one Pr atom at the Cartesian coordinate [6.225 4.942 0.238] to the cif file. | data_image0
_chemical_formula_structural Mg17Al11Tl
_chemical_formula_sum "Mg17 Al11 Tl1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_space_gro... | data_image0
_chemical_formula_structural Mg17Al11TlPr
_chemical_formula_sum "Mg17 Al11 Tl1 Pr1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_spa... |
AddAtomAction | 356a44de-bacf-4a54-9ddd-8850f980c8c6 | mp-22417 | Add one Bh atom at the Cartesian coordinate [0.934 2.169 7.672] to the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_group_... | data_image0
_chemical_formula_structural Li4Ni4P4O16Bh
_chemical_formula_sum "Li4 Ni4 P4 O16 Bh1"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_... |
AddAtomAction | 3023bfbf-123c-4368-bbe6-ef2d42351746 | mp-532718 | Add one P atom at the Cartesian coordinate [0.395 1.31 6.167] to the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca6Nd6Mn12O36P
_chemical_formula_sum "Ca6 Nd6 Mn12 O36 P1"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 62e655f4-f0d3-475c-ac87-19efa329666b | mp-559593 | Add one Nh atom at the Cartesian coordinate [-4.641 -2.164 4.378] to the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6Nh
_chemical_formula_sum "P3 S9 N15 F6 Nh1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
AddAtomAction | 503eb361-8c18-4266-88cd-01111a9c90bd | mp-557667 | Add one Es atom at the Cartesian coordinate [2.49 4.167 7.697] to the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33Es
_chemical_formula_sum "Ge9 Pb15 O33 Es1"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_gr... |
AddAtomAction | 7468a075-bcdf-4be3-884d-72d3e62f793f | mp-27382 | Add one Th atom at the Cartesian coordinate [5.429 6.536 7.589] to the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40Th
_chemical_formula_sum "U8 Tl8 F40 Th1"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 3dc8bdfc-bec4-4dfb-8145-c67a4cddeac7 | mp-1045679 | Add one Ru atom at the Cartesian coordinate [9.245 4.551 2.179] to the cif file. | data_image0
_chemical_formula_structural Nb4Te2O16
_chemical_formula_sum "Nb4 Te2 O16"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596
_spa... | data_image0
_chemical_formula_structural Nb4Te2O16Ru
_chemical_formula_sum "Nb4 Te2 O16 Ru1"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596... |
AddAtomAction | 4203f545-59d0-4983-a094-48acb302b3ae | mp-6215 | Add one Si atom at the Cartesian coordinate [3.619 2.41 5.033] to the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6Si
_chemical_formula_sum "Ag2 Hg2 As2 S6 Si1"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space... |
AddAtomAction | 8d40252e-5e3d-4550-9e93-62c0ec59779c | mp-1177575 | Add one Rg atom at the Cartesian coordinate [6.914 1.26 2.801] to the cif file. | data_image0
_chemical_formula_structural Li3NbFe4O8
_chemical_formula_sum "Li3 Nb1 Fe4 O8"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.655735250000006
_s... | data_image0
_chemical_formula_structural Li3NbFe4O8Rg
_chemical_formula_sum "Li3 Nb1 Fe4 O8 Rg1"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.6557352500000... |
AddAtomAction | 3acd5aec-a630-4f75-9ad4-90253bac35af | mp-757246 | Add one U atom at the Cartesian coordinate [3.842 0.941 8.143] to the cif file. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4Ti6V2O16U
_chemical_formula_sum "Li4 Ti6 V2 O16 U1"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.680978... |
AddAtomAction | 69e7f370-b6ce-44cf-841a-c6e402666771 | mp-1029918 | Add one Ca atom at the Cartesian coordinate [5.06 5.913 8.078] to the cif file. | data_image0
_chemical_formula_structural Ba12V24N48
_chemical_formula_sum "Ba12 V24 N48"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_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 Ba12V24N48Ca
_chemical_formula_sum "Ba12 V24 N48 Ca1"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 26668c18-de26-4cf1-b53a-cd4324a5bf49 | mp-19408 | Add one P atom at the Cartesian coordinate [2.15 6.202 4.875] to the cif file. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 Li4V8O20P
_chemical_formula_sum "Li4 V8 O20 P1"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 | 90c79fbf-7339-4261-ab5d-962d4c0edbcd | mp-661715 | Add one Te atom at the Cartesian coordinate [2.325 6.151 1.975] to the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2Te
_chemical_formula_sum "Ti2 S2 Cl12 O2 Te1"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_... |
AddAtomAction | 9f2857b1-f28f-408a-9701-2f125a7c3440 | mp-1182382 | Add one Am atom at the Cartesian coordinate [2.896 2.07 5.097] to the cif file. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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_nu... | data_image0
_chemical_formula_structural Ca2O20Am
_chemical_formula_sum "Ca2 O20 Am1"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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 | 17a88de5-c047-4508-a9ad-642240ca01c3 | mp-1228061 | Add one W atom at the Cartesian coordinate [2.647 3.963 6.876] to the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4W
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4 W1"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
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