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 | c66f68b8-f2df-42d1-8d72-f6f0760af8ae | mp-765591 | Add one Ts atom at the Cartesian coordinate [3.293 1.452 7.749] to the cif file. | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4P4O16Ts
_chemical_formula_sum "Li4 Fe4 P4 O16 Ts1"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_... |
AddAtomAction | cae3a4d4-e117-48fa-b077-230ce37a5105 | mp-571242 | Add one Sn atom at the Cartesian coordinate [0.536 2.1 4.628] to the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb8Co4Cl16Sn
_chemical_formula_sum "Rb8 Co4 Cl16 Sn1"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 | 55043271-17de-499e-8231-89b23ee8e72c | mp-1202898 | Add one Si atom at the Cartesian coordinate [2.028 2.701 5.281] to the cif file. | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... | data_image0
_chemical_formula_structural In4As8N4O28Si
_chemical_formula_sum "In4 As8 N4 O28 Si1"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469... |
AddAtomAction | f5ddff52-00bc-4829-adde-95a3127644fb | mp-1098369 | Add one Ts atom at the Cartesian coordinate [3.462 1.06 8.033] to the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32Ts
_chemical_formula_sum "Mg30 Ti1 Cr1 O32 Ts1"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | e45b6317-2cbb-4c6a-8ea9-4994ff9c954f | mp-756331 | Add one Nh atom at the Cartesian coordinate [0.629 0.436 1.658] to the cif file. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co5O16Nh
_chemical_formula_sum "Li4 Ti3 Co5 O16 Nh1"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma ... |
AddAtomAction | cfc21a8c-1701-4d2d-bc3e-a2d7e25d634a | mp-1225219 | Add one F atom at the Cartesian coordinate [0.774 3.161 8.928] to the cif file. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl8SiAu4F
_chemical_formula_sum "Eu1 Al8 Si1 Au4 F1"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | d390f316-b0fd-4b9d-9917-434817df5a24 | mp-753611 | Add one Lr atom at the Cartesian coordinate [4.881 3.907 2.975] to the cif file. | data_image0
_chemical_formula_structural P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 P4Cl12O4Lr
_chemical_formula_sum "P4 Cl12 O4 Lr1"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 | 0a67ce12-c549-423e-8c20-f92dc691f04f | mp-567566 | Add one Fe atom at the Cartesian coordinate [-0.033 -2.493 6.765] to the cif file. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12Fe
_chemical_formula_sum "Ho7 Fe2 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_... |
AddAtomAction | 37de0e1f-16d4-4239-b3c3-d318ec924db6 | mp-28198 | Add one K atom at the Cartesian coordinate [8.148 6.44 1.022] to the cif file. | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... | data_image0
_chemical_formula_structural Rb6In6I24K
_chemical_formula_sum "Rb6 In6 I24 K1"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_g... |
AddAtomAction | ed483662-200a-4b99-9133-a01163dd50b3 | mp-758495 | Add one Ne atom at the Cartesian coordinate [2.041 3.935 4.142] to the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28Ne
_chemical_formula_sum "Li8 Co8 C8 O28 Ne1"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 432442fc-2d0f-40ee-8727-0edce99b0e4b | mp-22703 | Add one Sg atom at the Cartesian coordinate [2.271 3.665 4.654] to the cif file. | data_image0
_chemical_formula_structural Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 Ni16Ge4B6Sg
_chemical_formula_sum "Ni16 Ge4 B6 Sg1"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 1c0b4074-6dc4-45e4-9e6f-c590e6c87640 | mp-27413 | Add one Ac atom at the Cartesian coordinate [3.086 0.297 6.615] to the cif file. | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mo8P5Ac
_chemical_formula_sum "Mo8 P5 Ac1"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 008e0948-f1c1-4a4b-8251-d45c0984b893 | mp-11639 | Add one K atom at the Cartesian coordinate [4.389 2.269 7.416] to the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6K
_chemical_formula_sum "Rb4 Ge2 S6 K1"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_spa... |
AddAtomAction | 3d5b7667-5e70-46f6-a499-df583bb4f2ed | mp-1216004 | Add one Se atom at the Cartesian coordinate [3.95 4.422 2.783] to the cif file. | data_image0
_chemical_formula_structural YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 YThB8Rh8Se
_chemical_formula_sum "Y1 Th1 B8 Rh8 Se1"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 | 4851dc39-85fb-4efa-a409-9593faf41da6 | mp-554501 | Add one Cu atom at the Cartesian coordinate [-1.922 9.362 1.636] to the cif file. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30Cu
_chemical_formula_sum "Ba10 Os6 Cl2 O30 Cu1"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_nam... |
AddAtomAction | ef417233-4641-4212-9211-8c6bc2e1f51a | mp-675818 | Add one Zr atom at the Cartesian coordinate [5.255 1.682 7.961] to the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5Zr
_chemical_formula_sum "Li11 Ti1 As5 Zr1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2... |
AddAtomAction | a70c585b-6cf6-4226-bc00-db75b0832ca0 | mp-25275 | Add one N atom at the Cartesian coordinate [6.805 1.517 1.248] to the cif file. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn4O8N
_chemical_formula_sum "Mn4 O8 N1"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_nam... |
AddAtomAction | 25f122ba-bfd4-4b19-add1-5beabbe1259d | mp-561499 | Add one Yb atom at the Cartesian coordinate [7.176 4.4 1.434] to the cif file. | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14Yb
_chemical_formula_sum "Dy6 Cu2 Sn2 S14 Yb1"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-... |
AddAtomAction | e280afbf-e575-463e-bf1e-b42ab9cded92 | mp-554765 | Add one Tm atom at the Cartesian coordinate [0.913 2.74 6.547] to the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12Tm
_chemical_formula_sum "Ba1 Sb2 F12 Tm1"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_... |
AddAtomAction | 8a4e3239-ba31-4e68-9043-67f4e2fab5d7 | mp-6268 | Add one Ti atom at the Cartesian coordinate [ 0.95 7.599 11.6 ] to the cif file. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural K8Ti8P8O40Ti
_chemical_formula_sum "K8 Ti9 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 8c512327-b35f-423e-afb4-00f162824d9e | mp-19459 | Add one Bh atom at the Cartesian coordinate [3.951 2.352 9.557] to the cif file. | data_image0
_chemical_formula_structural K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_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 K8Mg4V8O28Bh
_chemical_formula_sum "K8 Mg4 V8 O28 Bh1"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 70bf7062-6bb3-4698-8428-a0243073418e | mp-1040196 | Add one Ds atom at the Cartesian coordinate [5.69 5.13 4.089] to the cif file. | data_image0
_chemical_formula_structural KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 KMg30BO32Ds
_chemical_formula_sum "K1 Mg30 B1 O32 Ds1"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 14bb5ed4-6794-4fb4-9c10-8840a0097402 | mp-1237028 | Add one Sr atom at the Cartesian coordinate [ 0.728 4.612 10.855] to the cif file. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K4Ga4P8H8Sr
_chemical_formula_sum "K4 Ga4 P8 H8 Sr1"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 | e7e471da-b21b-488e-bc6f-f33a7880f06d | mp-781617 | Add one Sn atom at the Cartesian coordinate [-0.673 3.442 3.057] to the cif file. | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... | data_image0
_chemical_formula_structural Li5Mn6B6O18Sn
_chemical_formula_sum "Li5 Mn6 B6 O18 Sn1"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.4585454500... |
AddAtomAction | c16827dc-ca32-4f43-a072-95bdc9cdd95e | mp-1104546 | Add one Sn atom at the Cartesian coordinate [0.401 2.249 6.559] to the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6Sn
_chemical_formula_sum "Co2 B6 Mo6 Sn1"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_... |
AddAtomAction | b6bc85c2-bd52-40cf-8a08-86584caa0e51 | mp-1226141 | Add one S atom at the Cartesian coordinate [2.632 5.02 0.143] to the cif file. | data_image0
_chemical_formula_structural Co12B2P2
_chemical_formula_sum "Co12 B2 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_... | data_image0
_chemical_formula_structural Co12B2P2S
_chemical_formula_sum "Co12 B2 P2 S1"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_sp... |
AddAtomAction | db951e95-f517-4f5c-9402-3aae1b200bf4 | mp-675418 | Add one He atom at the Cartesian coordinate [0.336 0.839 3.848] to the cif file. | data_image0
_chemical_formula_structural B3H18N3
_chemical_formula_sum "B3 H18 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... | data_image0
_chemical_formula_structural B3H18N3He
_chemical_formula_sum "B3 H18 N3 He1"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_... |
AddAtomAction | 96fc4444-cb11-4b6d-b372-75097d47553c | mp-1095216 | Add one In atom at the Cartesian coordinate [ 0.291 -0.621 2.976] 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 Nd2As2O8In
_chemical_formula_sum "Nd2 As2 O8 In1"
_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 | d96321a7-42b6-441a-bde3-69e47bfbce89 | mp-567967 | Add one Cu atom at the Cartesian coordinate [3.376 1.501 9.759] to the cif file. | data_image0
_chemical_formula_structural Li4Ga4I16
_chemical_formula_sum "Li4 Ga4 I16"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Ga4I16Cu
_chemical_formula_sum "Li4 Ga4 I16 Cu1"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 977294c2-6728-4226-a56f-34c1aad01cdd | mp-772952 | Add one Tc atom at the Cartesian coordinate [7.174 1.806 1.421] to the cif file. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O32Tc
_chemical_formula_sum "Li8 V12 Sn4 O32 Tc1"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 0d871885-9bd2-4ea6-ab6c-deda83469387 | mp-1196284 | Add one Yb atom at the Cartesian coordinate [1.597 0.274 1.446] to the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10Yb
_chemical_formula_sum "U6 Al38 Ni10 Yb1"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_al... |
AddAtomAction | 97e486c0-43db-4660-acfc-43c8a1934c28 | mp-1041629 | Add one Np atom at the Cartesian coordinate [0.097 7.683 9.219] to the cif file. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg4Co8O16Np
_chemical_formula_sum "Mg4 Co8 O16 Np1"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 | cc00752d-645a-4e21-b327-f1263542f478 | mp-766533 | Add one Hf atom at the Cartesian coordinate [4.794 7.723 5.318] to the cif file. | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28Hf
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28 Hf1"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
AddAtomAction | 07483d7e-dbbd-4350-9363-92c4593994b8 | mp-1214689 | Add one Pr atom at the Cartesian coordinate [4.602 9.535 3.747] to the cif file. | data_image0
_chemical_formula_structural Ce8In24Pt8
_chemical_formula_sum "Ce8 In24 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_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 Ce8In24Pt8Pr
_chemical_formula_sum "Ce8 In24 Pt8 Pr1"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | b555b269-e7c2-45a7-9d28-fd632984cc99 | mp-764443 | Add one Sc atom at the Cartesian coordinate [1.614 2.152 7.465] to the cif file. | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16Sc
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16 Sc1"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma... |
AddAtomAction | a13805a7-0810-401d-ab2f-888201acab13 | mp-5794 | Add one Sg atom at the Cartesian coordinate [3.126 1.406 3.783] to the cif file. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O8Sg
_chemical_formula_sum "Zn2 Ga4 O8 Sg1"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999... |
AddAtomAction | 21c86d40-d9e5-4cfc-8352-b7fe7f8e6bb5 | mp-1196179 | Add one Tc atom at the Cartesian coordinate [5.306 0.025 8.31 ] to the cif file. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm16Cr8S32Tc
_chemical_formula_sum "Tm16 Cr8 S32 Tc1"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | fca4d536-dc23-40d5-90f4-507a3901bf68 | mp-779351 | Add one Ds atom at the Cartesian coordinate [2.112 1.372 7.163] to the cif file. | data_image0
_chemical_formula_structural Li4MnP6H8O22
_chemical_formula_sum "Li4 Mn1 P6 H8 O22"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... | data_image0
_chemical_formula_structural Li4MnP6H8O22Ds
_chemical_formula_sum "Li4 Mn1 P6 H8 O22 Ds1"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_spac... |
AddAtomAction | 76febbb9-1a46-407c-8147-6850c29074fd | mp-1518110 | Add one Al atom at the Cartesian coordinate [6.428 1.07 1.992] to the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6Al
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6 Al1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
AddAtomAction | 27c2816e-88b7-4b2c-abcf-846108db08dc | mp-1213985 | Add one Bh atom at the Cartesian coordinate [0.147 1. 0.959] to the cif file. | data_image0
_chemical_formula_structural Ca2Al2Si2O10
_chemical_formula_sum "Ca2 Al2 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_s... | data_image0
_chemical_formula_structural Ca2Al2Si2O10Bh
_chemical_formula_sum "Ca2 Al2 Si2 O10 Bh1"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.972559... |
AddAtomAction | 0f945335-4750-4b76-9d4e-14ebc5136f96 | mp-1235973 | Add one Cf atom at the Cartesian coordinate [1.872 0.491 6.902] to the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12Cf
_chemical_formula_sum "Li1 Y4 Ag4 O12 Cf1"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
AddAtomAction | a6d073a3-7ded-4193-ad32-d85a0de90482 | mp-640163 | Add one Al atom at the Cartesian coordinate [7.323 2.31 6.037] to the cif file. | data_image0
_chemical_formula_structural Co8W16C4
_chemical_formula_sum "Co8 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Co8W16C4Al
_chemical_formula_sum "Co8 W16 C4 Al1"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
AddAtomAction | b5ee68ad-8312-4c73-a327-51a7d6cfa0e3 | mp-1101169 | Add one Nd atom at the Cartesian coordinate [5.442 2.388 5.072] to the cif file. | data_image0
_chemical_formula_structural Y6Al2O12
_chemical_formula_sum "Y6 Al2 O12"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... | data_image0
_chemical_formula_structural Y6Al2O12Nd
_chemical_formula_sum "Y6 Al2 O12 Nd1"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_s... |
AddAtomAction | d68b1300-e0cf-4cba-8812-7dd447a55a68 | mp-2230416 | Add one Sn atom at the Cartesian coordinate [6.89 2.061 4.445] to the cif file. | data_image0
_chemical_formula_structural MgFe6O10F2
_chemical_formula_sum "Mg1 Fe6 O10 F2"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_... | data_image0
_chemical_formula_structural MgFe6O10F2Sn
_chemical_formula_sum "Mg1 Fe6 O10 F2 Sn1"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554... |
AddAtomAction | 5781d19b-0ded-4f45-b13d-507dd7661933 | mp-1096906 | Add one Yb atom at the Cartesian coordinate [6.236 6.985 7.701] to the cif file. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32Yb
_chemical_formula_sum "Cr16 N32 Yb1"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_g... |
AddAtomAction | e3c1a900-8de1-4e72-a263-9ffe29371a17 | mp-11726 | Add one No atom at the Cartesian coordinate [ 4.386 -1.726 4.354] to the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18No
_chemical_formula_sum "La2 Si8 Ni18 No1"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_spac... |
AddAtomAction | 04a12e65-1739-49b7-bec5-c136a2186859 | mp-2222843 | Add one Eu atom at the Cartesian coordinate [1.078 0.95 3.251] to the cif file. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6Eu
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6 Eu1"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H... |
AddAtomAction | 4ee2b8df-2b54-4346-9c1b-86b54c135fe9 | mp-557340 | Add one I atom at the Cartesian coordinate [-0.885 4.093 9.599] to the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge9Pb15O33I
_chemical_formula_sum "Ge9 Pb15 O33 I1"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt... |
AddAtomAction | 2513216c-a0d9-4093-be4b-45c46ee542ce | mp-1181012 | Add one Os atom at the Cartesian coordinate [0.737 6.434 4.244] to the cif file. | data_image0
_chemical_formula_structural Li16Re24S44
_chemical_formula_sum "Li16 Re24 S44"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_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 Li16Re24S44Os
_chemical_formula_sum "Li16 Re24 S44 Os1"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 0296aef9-53c1-4f62-9a77-f3524369fd8b | mp-1026568 | Add one Be atom at the Cartesian coordinate [2.609 3.604 3.348] to the cif file. | data_image0
_chemical_formula_structural CsMg14Sb
_chemical_formula_sum "Cs1 Mg14 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural CsMg14SbBe
_chemical_formula_sum "Cs1 Mg14 Sb1 Be1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt... |
AddAtomAction | 6f9271f1-cefe-4f6a-b5a1-beb3501e9863 | mp-1216955 | Add one Cl atom at the Cartesian coordinate [0.976 0.762 3.254] to the cif file. | data_image0
_chemical_formula_structural U4SiNi7
_chemical_formula_sum "U4 Si1 Ni7"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4SiNi7Cl
_chemical_formula_sum "U4 Si1 Ni7 Cl1"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_al... |
AddAtomAction | ed9886a8-7bb1-4723-bd9b-715bfb8081e9 | mp-753310 | Add one Ho atom at the Cartesian coordinate [3.201 4.347 0.271] to the cif file. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr3CuO8Ho
_chemical_formula_sum "Li2 Cr3 Cu1 O8 Ho1"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801... |
AddAtomAction | e14af945-8d5d-4a40-a66e-c13baa84ed77 | mp-1193845 | Add one Lr atom at the Cartesian coordinate [14.83 6.642 6.812] to the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16Lr
_chemical_formula_sum "Ho6 Al7 Cu16 Lr1"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
AddAtomAction | d1bb4a7f-0e66-49c4-a302-bf40815eaae3 | mp-1176021 | Add one Sg atom at the Cartesian coordinate [6.065 2.661 2.962] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Sg
_chemical_formula_sum "Li9 Mn2 Co5 O16 Sg1"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space... |
AddAtomAction | 2571b52f-170b-402b-b4a5-320e48b289c8 | mp-1205633 | Add one Dy atom at the Cartesian coordinate [ 3.848 -0.164 3.083] to the cif file. | data_image0
_chemical_formula_structural Cs3FeF6
_chemical_formula_sum "Cs3 Fe1 F6"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... | data_image0
_chemical_formula_structural Cs3FeF6Dy
_chemical_formula_sum "Cs3 Fe1 F6 Dy1"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_... |
AddAtomAction | f2c7fb18-2d3e-41e3-bff3-4737808a4a4b | mp-1293179 | Add one Og atom at the Cartesian coordinate [7.867 8.018 1.213] to the cif file. | data_image0
_chemical_formula_structural Li8Co6Ni2O16
_chemical_formula_sum "Li8 Co6 Ni2 O16"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... | data_image0
_chemical_formula_structural Li8Co6Ni2O16Og
_chemical_formula_sum "Li8 Co6 Ni2 O16 Og1"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.4911365... |
AddAtomAction | 59a21f64-219d-44fe-bfac-c74b1bf4de3d | mp-1227709 | Add one Es atom at the Cartesian coordinate [-0.799 4.975 0.521] to the cif file. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb6O24Es
_chemical_formula_sum "Bi2 P6 Pb6 O24 Es1"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 1... |
AddAtomAction | 2f8b1763-686d-4446-b259-d20440b8b159 | mp-1520366 | Add one S atom at the Cartesian coordinate [5.433 5.243 7.981] to the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12S
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12 S1"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.69836... |
AddAtomAction | 717cc3e9-9156-4049-a600-6255e5ff2b3f | mp-1199158 | Add one Au atom at the Cartesian coordinate [6.626 3.797 2.026] to the cif file. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20Au
_chemical_formula_sum "Tm22 Sn20 Au1"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_spa... |
AddAtomAction | 1a5ed5b5-9a20-4186-b2be-f45c86d43f23 | mp-3380 | Add one Pa atom at the Cartesian coordinate [1.265 1.455 2.757] to the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8Pa
_chemical_formula_sum "La4 Rh4 C8 Pa1"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | e7051014-26df-4b43-8358-ea1e7c51c870 | mp-704542 | Add one Nd atom at the Cartesian coordinate [2.414 5.168 6.923] to the cif file. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40Nd
_chemical_formula_sum "Ge4 W8 C40 Br8 O40 Nd1"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | c03f4ace-8c6c-48aa-9294-65408a945a4b | mp-1201283 | Add one Ga atom at the Cartesian coordinate [8.096 4.46 9.261] to the cif file. | data_image0
_chemical_formula_structural Re4C4N4Cl12O8
_chemical_formula_sum "Re4 C4 N4 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... | data_image0
_chemical_formula_structural Re4C4N4Cl12O8Ga
_chemical_formula_sum "Re4 C4 N4 Cl12 O8 Ga1"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.797561239999... |
AddAtomAction | af08f323-89df-4b99-9b16-02f84f967d0e | mp-1111088 | Add one Hf atom at the Cartesian coordinate [5.164 4.33 1.597] to the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Hf
_chemical_formula_sum "Na2 Al1 Au1 F6 Hf1"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
AddAtomAction | c588ae89-1d9b-4745-8716-c2330fb882bc | mp-779589 | Add one Ar atom at the Cartesian coordinate [4.728 2.38 2.621] to the cif file. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na12Sb20O56Ar
_chemical_formula_sum "Na12 Sb20 O56 Ar1"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 10660af4-5781-43dc-8ed4-587e168c3e71 | mp-1228545 | Add one Y atom at the Cartesian coordinate [10.746 1.267 2.723] to the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Y
_chemical_formula_sum "Ba2 Sr2 Y3 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.50771209000000... |
AddAtomAction | e7a44f9a-c28d-44d4-bfad-7771b4439128 | mp-760360 | Add one Se atom at the Cartesian coordinate [3.44 0.751 6.993] to the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6Se
_chemical_formula_sum "Hf6 N4 O6 Se1"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P ... |
AddAtomAction | a4f5fb6e-b694-4a71-8083-684c35f3e001 | mp-1220828 | Add one Lu atom at the Cartesian coordinate [12.676 3.052 2.55 ] to the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8Lu
_chemical_formula_sum "Nb16 Pb12 O48 F8 Lu1"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_grou... |
AddAtomAction | e6f03577-d109-4f82-912f-4cbe18275dc5 | mp-1078810 | Add one Cd atom at the Cartesian coordinate [7.352 0.47 0.775] to the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4Cd
_chemical_formula_sum "Sc4 Sn2 Au4 Cd1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | ec370bae-64be-4ff0-9691-9026066fa4dd | mp-1523308 | Add one Cr atom at the Cartesian coordinate [2.089 4.798 5.15 ] to the cif file. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24Cr
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24 Cr1"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 812c6723-2075-4be3-be87-2a5a33fe9dca | mp-1191291 | Add one Th atom at the Cartesian coordinate [2.748 3.562 2.373] to the cif file. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6Th
_chemical_formula_sum "Hg4 S2 Br8 N4 O6 Th1"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | f1ac69b2-b3d3-4f9f-a8a0-09bf10283071 | mp-1101787 | Add one Tc atom at the Cartesian coordinate [11.45 3.089 6.792] to the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10Tc
_chemical_formula_sum "La2 Si10 Tc1"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.6223092799... |
AddAtomAction | 03afe71c-510e-40ed-aa07-47186777fbaf | mp-754097 | Add one Rb atom at the Cartesian coordinate [2.617 3.116 0.613] to the cif file. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O16Rb
_chemical_formula_sum "Li8 Fe4 B4 O16 Rb1"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_s... |
AddAtomAction | 8142dfa9-71a4-40a9-bde8-d130d55861f0 | mp-1105260 | Add one Ts atom at the Cartesian coordinate [5.002 0.643 4.613] to the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2Ts
_chemical_formula_sum "Tb8 In2 Ge8 Rh2 Ts1"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367... |
AddAtomAction | 78c383b5-717c-4a60-b5c6-199e4d2c5e41 | mp-1192752 | Add one Rn atom at the Cartesian coordinate [3.576 0.502 6.914] to the cif file. | data_image0
_chemical_formula_structural La2Cl6O14
_chemical_formula_sum "La2 Cl6 O14"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... | data_image0
_chemical_formula_structural La2Cl6O14Rn
_chemical_formula_sum "La2 Cl6 O14 Rn1"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
... |
AddAtomAction | c3f8d359-6b83-4f27-8a12-69ebc12254cd | mp-1207428 | Add one Ca atom at the Cartesian coordinate [0.749 0.43 6.386] to the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Ca
_chemical_formula_sum "Zr4 Ni4 As4 Ca1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 5ad7ab06-9064-4948-b00b-6e41e013255a | mp-600078 | Add one Bh atom at the Cartesian coordinate [26.833 7.258 2.606] to the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Bh
_chemical_formula_sum "Si18 O36 Bh1"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
... |
AddAtomAction | 0cc0e538-45c1-41ff-8132-78bc18a6586a | mp-1175936 | Add one Si atom at the Cartesian coordinate [4.214 1.477 7.569] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Si
_chemical_formula_sum "Li9 Mn2 Co5 O16 Si1"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411... |
AddAtomAction | ab9100c8-fde5-44ab-93ff-593967e6ee45 | mp-779298 | Add one P atom at the Cartesian coordinate [0.621 2.603 7.82 ] to the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3P
_chemical_formula_sum "Mn8 O13 F3 P1"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space... |
AddAtomAction | a25ab8a9-be9f-49b2-ba43-8563ddfffe5c | mp-1201935 | Add one Es atom at the Cartesian coordinate [6.536 1.374 3.152] to the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28Es
_chemical_formula_sum "K8 P8 H16 O28 Es1"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | 91a4ea2b-fa4e-4df3-94eb-89c744a1510f | mp-1226365 | Add one Cf atom at the Cartesian coordinate [5.643 3.882 1.896] to the cif file. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural Cs2Cu3NiF10Cf
_chemical_formula_sum "Cs2 Cu3 Ni1 F10 Cf1"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02... |
AddAtomAction | 254aee27-ed58-4f50-bf08-f51cd6681a12 | mp-2309 | Add one As atom at the Cartesian coordinate [2.863 2.736 1.772] to the cif file. | data_image0
_chemical_formula_structural Tm8S12
_chemical_formula_sum "Tm8 S12"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tm8S12As
_chemical_formula_sum "Tm8 S12 As1"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | d689d80c-1458-4310-ac84-52830d142661 | mp-2232505 | Add one Pm atom at the Cartesian coordinate [0.041 3.134 5.163] to the cif file. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba2YMgFe3O8Pm
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8 Pm1"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 01d30c9e-60cb-43ab-b297-0e55f939e1ed | mp-759828 | Add one Tm atom at the Cartesian coordinate [1.808 5.238 2.719] to the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20Tm
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20 Tm1"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103... |
AddAtomAction | bbb15b6b-5cd9-40fe-b069-4426856f7fcc | mp-684003 | Add one Fe atom at the Cartesian coordinate [15.199 8.613 2.791] to the cif file. | data_image0
_chemical_formula_structural Ti18Fe4B16Ru36
_chemical_formula_sum "Ti18 Fe4 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_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 Ti18Fe4B16Ru36Fe
_chemical_formula_sum "Ti18 Fe5 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 30876fe1-e056-440b-b8b8-2509a56afaab | mp-1245147 | Add one Ne atom at the Cartesian coordinate [1.698 2.804 8.106] to the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Ne
_chemical_formula_sum "Cr16 Fe16 O48 Ne1"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856... |
AddAtomAction | a3f270c6-939e-4397-b453-6456e6157e58 | mp-532538 | Add one H atom at the Cartesian coordinate [13.646 8.051 2.194] to the cif file. | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48H
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48 H1"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamm... |
AddAtomAction | 24e23a39-4cc7-4553-8d57-86540555fc93 | mp-1044867 | Add one Pb atom at the Cartesian coordinate [6.169 5.876 4.928] to the cif file. | data_image0
_chemical_formula_structural Bi12O24
_chemical_formula_sum "Bi12 O24"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... | data_image0
_chemical_formula_structural Bi12O24Pb
_chemical_formula_sum "Bi12 O24 Pb1"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_sp... |
AddAtomAction | 48bdcda8-8089-46e1-94e9-e7dbc0b04b64 | mp-1233685 | Add one Er atom at the Cartesian coordinate [3.919 0.879 7.185] to the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... | data_image0
_chemical_formula_structural MgCo4P8O28Er
_chemical_formula_sum "Mg1 Co4 P8 O28 Er1"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_s... |
AddAtomAction | 12a789f1-81b4-4389-90ac-a9d6f28da994 | mp-1258846 | Add one Cl atom at the Cartesian coordinate [4.621 3.761 2.044] to the cif file. | data_image0
_chemical_formula_structural Mn4Zn6Si8O28
_chemical_formula_sum "Mn4 Zn6 Si8 O28"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... | data_image0
_chemical_formula_structural Mn4Zn6Si8O28Cl
_chemical_formula_sum "Mn4 Zn6 Si8 O28 Cl1"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 4... |
AddAtomAction | 38b70432-e82a-4581-8943-250c5894467d | mp-1225140 | Add one Tl atom at the Cartesian coordinate [7.039 3.123 3.809] to the cif file. | data_image0
_chemical_formula_structural Fe2H14C6N2O12
_chemical_formula_sum "Fe2 H14 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... | data_image0
_chemical_formula_structural Fe2H14C6N2O12Tl
_chemical_formula_sum "Fe2 H14 C6 N2 O12 Tl1"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999... |
AddAtomAction | ebea4f21-6ddd-4d80-badf-af34e80d0a6a | mp-1026930 | Add one Cm atom at the Cartesian coordinate [-0.972 1.919 12.915] 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 Te2MoW3Se2S4Cm
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4 Cm1"
_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 | 38e069eb-b462-41aa-b483-0d56b73b6b53 | mp-756031 | Add one Og atom at the Cartesian coordinate [2.786 6.93 2.238] to the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12Og
_chemical_formula_sum "Li4 Co4 O2 F12 Og1"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.7124135299999... |
AddAtomAction | e68e7b64-cc96-4e59-bce5-72651b1b98d6 | mp-9619 | Add one Sb atom at the Cartesian coordinate [4.25 2.619 2.083] to the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12Sb
_chemical_formula_sum "Th1 Fe4 P12 Sb1"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_gro... |
AddAtomAction | 6defc65c-441a-44fd-bf20-855b043c2122 | mp-2228606 | Add one Cs atom at the Cartesian coordinate [ 1.241 3.009 13.743] to the cif file. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2LaMgCu3O7Cs
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7 Cs1"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 7eedaf07-59dc-4ca0-9897-21e4836975dd | mp-1223453 | Add one Bk atom at the Cartesian coordinate [ 3.441 3.39 10.109] 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 La2Ga5Au3Bk
_chemical_formula_sum "La2 Ga5 Au3 Bk1"
_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 | ec4a4f73-47c9-4fbd-ac50-120aa85c5377 | mp-624221 | Add one Ce atom at the Cartesian coordinate [0.195 2.054 8.814] 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 Ge6Rh10Ce
_chemical_formula_sum "Ge6 Rh10 Ce1"
_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... |
AddAtomAction | bd351b25-9e21-41cb-8b21-dfb1121862b4 | mp-771174 | Add one Re atom at the Cartesian coordinate [ 1.223 11.043 7.447] to the cif file. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20Re
_chemical_formula_sum "Ba8 B8 O20 Re1"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 9b5d221a-f4f2-4945-8f5d-295c91b0c3c2 | mp-1214515 | Add one Ta atom at the Cartesian coordinate [2.81 7.151 6.92 ] to the cif file. | data_image0
_chemical_formula_structural Ba12Tm4Al8O30
_chemical_formula_sum "Ba12 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba12Tm4Al8O30Ta
_chemical_formula_sum "Ba12 Tm4 Al8 O30 Ta1"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | ad1f49c6-1036-4674-b2fc-7cf51b30f84a | mp-27271 | Add one In atom at the Cartesian coordinate [20.241 5.904 3.781] to the cif file. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O28In
_chemical_formula_sum "Tl16 Ge10 O28 In1"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma ... |
AddAtomAction | ac491039-1bb9-4616-9768-14c78583734e | mp-1079670 | Add one Rh atom at the Cartesian coordinate [-3.216 1.489 3.604] to the cif file. | data_image0
_chemical_formula_structural TmSbPb2O6
_chemical_formula_sum "Tm1 Sb1 Pb2 O6"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... | data_image0
_chemical_formula_structural TmSbPb2O6Rh
_chemical_formula_sum "Tm1 Sb1 Pb2 O6 Rh1"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 11... |
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