Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_MgIn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23344424 _cell_length_b 4.23344424 _cell_length_c 4.22448506 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn2Ir _chemical_formula_sum 'Mg1 In2 Ir1' _cell_volume 75.71143303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 2.11672212 2.11224253 1 In In1 1 2.11672212 0.00000000 2.11224253 1 Ir Ir2 1 2.11672212 2.11672212 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2IrMg
P4/mmm
123
tetragonal
4/mmm
9,785.348912
false
[CIF] data_ZrGa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93685285 _cell_length_b 3.78413806 _cell_length_c 6.57996534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa2Ag _chemical_formula_sum 'Zr1 Ga2 Ag1' _cell_volume 73.12615954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.28998267 1 Ga Ga1 1 1.46842643 1.89206903 4.83435100 1 Ga Ga2 1 1.46842643 1.89206903 1.74561434 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGa2Zr
Pmmm
47
orthorhombic
mmm
7,687.480242
false
[CIF] data_CdGaMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62222303 _cell_length_b 4.62222303 _cell_length_c 4.62222303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaMoAu _chemical_formula_sum 'Cd1 Ga1 Mo1 Au1' _cell_volume 69.82930088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.90260788 4.90260788 4.90260787 1 Cd Cd1 1 3.26840525 3.26840525 3.26840525 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 1.63420262 1.63420262 1.63420262 1 [/CIF]
AuCdGaMo
F-43m
216
cubic
-43m
11,296.928709
false
[CIF] data_AgAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71385666 _cell_length_b 4.71385666 _cell_length_c 4.71385666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAsAu2 _chemical_formula_sum 'Ag1 As1 Au2' _cell_volume 74.06518621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.33320001 3.33320001 3.33320001 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Au Au2 1 1.66660001 1.66660001 1.66660001 1 Au Au3 1 4.99980002 4.99980002 4.99980002 1 [/CIF]
AgAsAu2
Fm-3m
225
cubic
m-3m
12,930.109518
false
[CIF] data_Tm(HO)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.51870600 _cell_length_b 6.16216100 _cell_length_c 14.51474429 _cell_angle_alpha 90.00000000 _cell_angle_beta 133.28459233 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm(HO)3 _chemical_formula_sum 'Tm8 H24 O24' _cell_volume 684.87382374 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 0.45329510 2.85964324 8.79446030 1 Tm Tm1 1 -4.76552177 2.92294096 8.81518045 1 Tm Tm2 1 0.35677227 6.00402146 7.03398755 1 Tm Tm3 1 -4.86204460 5.94072374 7.05470770 1 Tm Tm4 1 5.42911360 0.22143726 3.51140430 1 Tm Tm5 1 0.21029673 0.15813954 3.53212445 1 Tm Tm6 1 5.33259077 3.23922004 1.75093155 1 Tm Tm7 1 0.11377390 3.30251776 1.77165170 1 H H8 1 -6.83808309 3.86665743 10.55505985 1 H H9 1 -8.77173359 4.88839302 10.20017584 1 H H10 1 -0.87261166 5.24450431 9.51664349 1 H H11 1 -5.87856458 0.44063148 9.58493227 1 H H12 1 -2.59364944 4.76215499 8.41890898 1 H H13 1 -7.92649636 0.94214512 8.59001660 1 H H14 1 -1.81510006 1.68107449 7.43025902 1 H H15 1 3.51774686 4.02322562 7.25915140 1 H H16 1 -3.53613784 2.16342381 6.33252451 1 H H17 1 1.46981508 3.52171198 6.26423573 1 H H18 1 -1.86226459 5.37658407 5.27200385 1 H H19 1 4.36298409 1.80731252 5.64899216 1 H H20 1 -3.79591509 4.35484848 4.91711984 1 H H21 1 2.42933359 0.78557693 5.29410815 1 H H22 1 -0.90274608 2.64044902 4.30187627 1 H H23 1 4.10320684 3.99873719 4.23358749 1 H H24 1 -2.95067786 2.13893538 3.30696060 1 H H25 1 2.38216906 4.48108651 3.13585298 1 H H26 1 8.49356536 5.22001588 1.97609540 1 H H27 1 3.16071844 1.40000601 2.14720302 1 H H28 1 6.44563358 5.72152952 0.98117973 1 H H29 1 1.43968066 0.91765669 1.04946851 1 H H30 1 9.33880259 1.27376798 0.36593616 1 H H31 1 7.40515209 2.29550357 0.01105215 1 O O32 1 6.42982985 2.39729630 0.00484985 1 O O33 1 -8.83529968 3.93493418 10.39810025 1 O O34 1 -0.73719935 4.79661996 8.66181333 1 O O35 1 -5.88177672 0.91979496 8.73307119 1 O O36 1 -3.57460220 4.72582289 8.32033772 1 O O37 1 1.60965602 0.96031117 8.56725720 1 O O38 1 -0.83414730 1.64474239 7.52883028 1 O O39 1 -3.67155015 1.71553946 7.18735467 1 O O40 1 -6.01840552 4.04139167 7.28191080 1 O O41 1 1.47302722 4.00087546 7.11609681 1 O O42 1 -0.88694235 5.47837680 5.27820615 1 O O43 1 4.42655018 0.85385368 5.45106775 1 O O44 1 -3.85948118 5.30830732 5.11504425 1 O O45 1 1.45401135 0.68378420 5.28790585 1 O O46 1 -0.90595822 2.16128554 3.45001519 1 O O47 1 6.58547452 2.12076933 3.28420120 1 O O48 1 4.23861915 4.44662154 3.37875733 1 O O49 1 1.40121630 4.51741861 3.03728172 1 O O50 1 -1.04258702 5.20184983 1.99885480 1 O O51 1 4.14167120 1.43633811 2.24577428 1 O O52 1 6.44884572 5.24236604 1.83304081 1 O O53 1 1.30426835 1.36554104 1.90429867 1 O O54 1 9.40236868 2.22722682 0.16801175 1 O O55 1 -5.86276085 3.76486470 10.56126215 1 [/CIF]
H24O24Tm8
P2_1/c
14
monoclinic
2/m
4,266.43157
true
[CIF] data_BaSbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38520686 _cell_length_b 6.38520686 _cell_length_c 6.38520686 _cell_angle_alpha 42.23405334 _cell_angle_beta 42.23405334 _cell_angle_gamma 42.23405334 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSbRu2 _chemical_formula_sum 'Ba1 Sb1 Ru2' _cell_volume 106.44313085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 -0.00000000 8.70968395 1 Ru Ru1 1 -0.00000000 0.00000000 11.90382623 1 Ru Ru2 1 -0.00000000 0.00000000 5.51554166 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaRu2Sb
R-3m
166
trigonal
-3m
7,216.654474
false
[CIF] data_Cd2AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16959707 _cell_length_b 5.16959707 _cell_length_c 4.81555632 _cell_angle_alpha 100.96352966 _cell_angle_beta 100.96352966 _cell_angle_gamma 35.68426796 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2AsRh _chemical_formula_sum 'Cd2 As1 Rh1' _cell_volume 73.55626965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 7.22126177 -0.00000000 1.22903345 1 Cd Cd2 1 1.65854597 -0.00000000 3.48943193 1 Rh Rh3 1 4.43990387 -0.00000000 2.35923269 1 [/CIF]
AsCd2Rh
C2/m
12
monoclinic
2/m
9,089.837805
false
[CIF] data_Si2NiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66246700 _cell_length_b 2.66246700 _cell_length_c 7.61208487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiW _chemical_formula_sum 'Si2 Ni1 W1' _cell_volume 53.96001839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 5.83874343 1 Si Si1 1 1.33123350 1.33123350 7.37712287 1 Si Si2 1 0.00000000 0.00000000 1.90372442 1 W W3 1 1.33123350 1.33123350 3.91062144 1 [/CIF]
NiSi2W
P4mm
99
tetragonal
4mm
9,192.182294
false
[CIF] data_HfNb2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10701496 _cell_length_b 3.10701496 _cell_length_c 8.40216495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.38340335 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2Se _chemical_formula_sum 'Hf1 Nb2 Se1' _cell_volume 76.03173970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.77358509 0.00000000 2.21727831 1 Nb Nb1 1 0.00000000 0.00000000 8.34282466 1 Nb Nb2 1 1.77358509 0.00000000 6.22733370 1 Se Se3 1 0.00000000 0.00000000 4.21797578 1 [/CIF]
HfNb2Se
Cmm2
35
orthorhombic
mm2
9,680.892909
false
[CIF] data_Li2CaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65583264 _cell_length_b 9.65583264 _cell_length_c 9.65583264 _cell_angle_alpha 19.92344474 _cell_angle_beta 19.92344474 _cell_angle_gamma 19.92344474 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CaPd _chemical_formula_sum 'Li2 Ca1 Pd1' _cell_volume 91.44520797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 -0.00000000 0.00000000 21.90804699 1 Li Li2 1 -0.00000000 -0.00000000 6.47565468 1 Pd Pd3 1 0.00000000 -0.00000000 14.19185084 1 [/CIF]
CaLi2Pd
R-3m
166
trigonal
-3m
2,912.31505
false
[CIF] data_Ca2CoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52646993 _cell_length_b 3.52646993 _cell_length_c 7.95427471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CoAg _chemical_formula_sum 'Ca2 Co1 Ag1' _cell_volume 98.91928208 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.76323497 1.76323497 5.50711274 1 Ca Ca1 1 0.00000000 0.00000000 7.36861522 1 Ca Ca2 1 1.76323497 1.76323497 2.59576524 1 Co Co3 1 0.00000000 0.00000000 4.41419357 1 [/CIF]
AgCa2Co
P4mm
99
tetragonal
4mm
4,145.626551
false
[CIF] data_MnCrHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38638977 _cell_length_b 4.38638977 _cell_length_c 4.38638977 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrHgW _chemical_formula_sum 'Mn1 Cr1 Hg1 W1' _cell_volume 59.67695588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 3.10164595 3.10164595 3.10164595 1 Mn Mn2 1 1.55082298 1.55082298 1.55082298 1 W W3 1 4.65246892 4.65246892 4.65246893 1 [/CIF]
CrHgMnW
F-43m
216
cubic
-43m
13,672.43598
false
[CIF] data_SrBeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81172246 _cell_length_b 4.58803265 _cell_length_c 5.41496663 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.89922648 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeSb2 _chemical_formula_sum 'Sr1 Be1 Sb2' _cell_volume 119.47697398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.39678539 0.00000000 1.07441095 1 Sb Sb1 1 4.60534600 2.29401632 0.47282729 1 Sb Sb2 1 4.58449975 0.00000000 3.45318129 1 Sr Sr3 1 2.17348334 2.29401632 3.11756846 1 [/CIF]
BeSb2Sr
Pm
6
monoclinic
m
4,727.571916
false
[CIF] data_Na2TaMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13577091 _cell_length_b 3.13577091 _cell_length_c 8.74303777 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TaMn _chemical_formula_sum 'Na2 Ta1 Mn1' _cell_volume 85.97080798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 6.14442046 1 Na Na1 1 1.56788546 1.56788546 8.32705243 1 Na Na2 1 0.00000000 0.00000000 2.32812976 1 Ta Ta3 1 1.56788546 1.56788546 5.05799178 1 [/CIF]
MnNa2Ta
P4mm
99
tetragonal
4mm
5,444.273757
false
[CIF] data_YTaSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85713167 _cell_length_b 4.85713167 _cell_length_c 4.85713167 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaSnMo _chemical_formula_sum 'Y1 Ta1 Sn1 Mo1' _cell_volume 81.02604335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.43451074 3.43451074 3.43451074 1 Sn Sn1 1 5.15176611 5.15176611 5.15176611 1 Ta Ta2 1 1.71725537 1.71725537 1.71725537 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoSnTaY
F-43m
216
cubic
-43m
9,929.777502
false
[CIF] data_LiScBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93695478 _cell_length_b 4.93695478 _cell_length_c 3.46007968 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScBr2 _chemical_formula_sum 'Li1 Sc1 Br2' _cell_volume 84.33432993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.46847739 0.00000000 1.73003984 1 Br Br1 1 0.00000000 2.46847739 1.73003984 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 2.46847739 2.46847739 0.00000000 1 [/CIF]
Br2LiSc
P4/mmm
123
tetragonal
4/mmm
4,168.459953
false
[CIF] data_MgPtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52794747 _cell_length_b 4.52794747 _cell_length_c 4.52794747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPtBr _chemical_formula_sum 'Mg1 Pt1 Br1' _cell_volume 65.64310890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 4.80261354 4.80261354 4.80261354 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.20174236 3.20174236 3.20174236 1 [/CIF]
BrMgPt
F-43m
216
cubic
-43m
7,571.056996
false
[CIF] data_YFe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91181399 _cell_length_b 3.91181399 _cell_length_c 4.29867227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFe2Pd _chemical_formula_sum 'Y1 Fe2 Pd1' _cell_volume 65.77952407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 1.95590700 2.14933613 1 Fe Fe1 1 1.95590700 0.00000000 2.14933613 1 Pd Pd2 1 1.95590700 1.95590700 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2PdY
P4/mmm
123
tetragonal
4/mmm
7,750.311669
false
[CIF] data_Ba2MgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00991979 _cell_length_b 6.00991979 _cell_length_c 4.24184988 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgZn _chemical_formula_sum 'Ba2 Mg1 Zn1' _cell_volume 153.21195234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.00495990 0.00000000 2.12092494 1 Ba Ba1 1 0.00000000 3.00495990 2.12092494 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.00495990 3.00495990 0.00000000 1 [/CIF]
Ba2MgZn
P4/mmm
123
tetragonal
4/mmm
3,948.889165
false
[CIF] data_GeP2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15572810 _cell_length_b 6.15572810 _cell_length_c 6.15572810 _cell_angle_alpha 148.50136134 _cell_angle_beta 147.18238300 _cell_angle_gamma 46.12776450 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeP2Ir _chemical_formula_sum 'Ge1 P2 Ir1' _cell_volume 65.82277947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 5.07571782 1 Ir Ir1 1 1.67084322 0.00000000 2.43141700 1 P P2 1 0.00000000 0.00000000 0.72087521 1 P P3 1 -0.00000000 1.73892508 3.09937464 1 [/CIF]
GeIrP2
Imm2
44
orthorhombic
mm2
8,244.435796
false
[CIF] data_Ce2EuGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54169060 _cell_length_b 5.54169060 _cell_length_c 5.54169060 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2EuGa _chemical_formula_sum 'Ce2 Eu1 Ga1' _cell_volume 120.34050398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 5.87785050 5.87785050 5.87785050 1 Ce Ce1 1 1.95928350 1.95928350 1.95928350 1 Eu Eu2 1 3.91856700 3.91856700 3.91856700 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ce2EuGa
Fm-3m
225
cubic
m-3m
6,925.815334
false
[CIF] data_YBeCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71745315 _cell_length_b 4.71745315 _cell_length_c 4.71745315 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeCrAu _chemical_formula_sum 'Y1 Be1 Cr1 Au1' _cell_volume 74.23484202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.33574311 3.33574311 3.33574311 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 5.00361467 5.00361467 5.00361467 1 Y Y3 1 1.66787156 1.66787156 1.66787156 1 [/CIF]
AuBeCrY
F-43m
216
cubic
-43m
7,759.28041
false
[CIF] data_VCu2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11879872 _cell_length_b 4.11879872 _cell_length_c 3.54302518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCu2Hg _chemical_formula_sum 'V1 Cu2 Hg1' _cell_volume 60.10566093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 2.05939936 1.77151259 1 Cu Cu1 1 2.05939936 0.00000000 1.77151259 1 Hg Hg2 1 2.05939936 2.05939936 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2HgV
P4/mmm
123
tetragonal
4/mmm
10,460.231259
false
[CIF] data_BaBeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16180118 _cell_length_b 6.16180118 _cell_length_c 6.16180118 _cell_angle_alpha 148.77137797 _cell_angle_beta 148.77137797 _cell_angle_gamma 44.74793510 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeTc _chemical_formula_sum 'Ba1 Be1 Tc1' _cell_volume 62.69243470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 0.00000000 0.03868089 1 Be Be1 1 0.00000000 -0.00000000 3.01780182 1 Tc Tc2 1 0.00000000 -0.00000000 8.33938751 1 [/CIF]
BaBeTc
I4mm
107
tetragonal
4mm
6,495.832335
false
[CIF] data_ScTl2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45043119 _cell_length_b 5.39695809 _cell_length_c 5.58884713 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.69312294 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTl2In _chemical_formula_sum 'Sc1 Tl2 In1' _cell_volume 104.06695998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.14117455 2.69847905 3.14355298 1 Sc Sc1 1 0.42979807 0.00000000 3.86636375 1 Tl Tl2 1 0.38021279 2.69847905 0.26268314 1 Tl Tl3 1 2.12304910 0.00000000 1.11005735 1 [/CIF]
InScTl2
Pm
6
monoclinic
m
9,071.887285
false
[CIF] data_KYTlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62404247 _cell_length_b 5.62404247 _cell_length_c 5.62404247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYTlIn _chemical_formula_sum 'K1 Y1 Tl1 In1' _cell_volume 125.78555709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.98839929 1.98839929 1.98839928 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.96519786 5.96519786 5.96519786 1 Y Y3 1 3.97679857 3.97679857 3.97679857 1 [/CIF]
InKTlY
F-43m
216
cubic
-43m
5,903.715321
false
[CIF] data_BaHf2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39756738 _cell_length_b 3.39756738 _cell_length_c 8.58687405 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHf2P _chemical_formula_sum 'Ba1 Hf2 P1' _cell_volume 99.12227234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 4.29343703 1 Hf Hf1 1 1.69878369 1.69878369 7.18355849 1 Hf Hf2 1 1.69878369 1.69878369 1.40331556 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHf2P
P4/mmm
123
tetragonal
4/mmm
8,799.729926
false
[CIF] data_Na2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56358050 _cell_length_b 5.56358050 _cell_length_c 5.56358050 _cell_angle_alpha 142.45476500 _cell_angle_beta 142.45476500 _cell_angle_gamma 54.14436508 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2FeIr _chemical_formula_sum 'Na2 Fe1 Ir1' _cell_volume 63.52323516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 -0.00000000 0.00000000 4.95400051 1 Na Na2 1 0.00000000 1.79043387 2.47700025 1 Na Na3 1 1.79043387 0.00000000 2.47700026 1 [/CIF]
FeIrNa2
I4/mmm
139
tetragonal
4/mmm
7,686.43884
false
[CIF] data_NaTlAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82110264 _cell_length_b 5.82110264 _cell_length_c 5.82110264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTlAs4 _chemical_formula_sum 'Na1 Tl1 As4' _cell_volume 139.47641400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 5.09807143 3.13421087 3.13421087 1 As As1 1 3.13421087 3.13421087 5.09807143 1 As As2 1 3.13421087 5.09807143 3.13421087 1 As As3 1 5.09807143 5.09807143 5.09807143 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 2.05807057 2.05807057 2.05807057 1 [/CIF]
As4NaTl
F-43m
216
cubic
-43m
6,274.916411
false
[CIF] data_SrScNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81437691 _cell_length_b 4.81437691 _cell_length_c 3.30104004 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScNi2 _chemical_formula_sum 'Sr1 Sc1 Ni2' _cell_volume 76.51224889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.40718846 0.00000000 1.65052002 1 Ni Ni1 1 0.00000000 2.40718846 1.65052002 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.40718846 2.40718846 0.00000000 1 [/CIF]
Ni2ScSr
P4/mmm
123
tetragonal
4/mmm
5,424.920252
false
[CIF] data_SrCrF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96205226 _cell_length_b 6.96205226 _cell_length_c 6.96205226 _cell_angle_alpha 133.10578006 _cell_angle_beta 130.12828171 _cell_angle_gamma 70.86175667 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrF4 _chemical_formula_sum 'Sr2 Cr2 F8' _cell_volume 184.50652645 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 2.93522500 -0.00000000 1 Sr Sr1 1 2.77021700 0.00000000 0.00000000 1 Cr Cr2 1 -0.00000000 0.00000000 8.50918200 1 Cr Cr3 1 0.00000000 0.00000000 2.83639400 1 F F4 1 3.74316153 1.75112588 -1.44789972 1 F F5 1 0.97294453 1.18409912 -1.44789972 1 F F6 1 1.79727247 1.75112588 7.12068772 1 F F7 1 0.97294453 1.18409912 1.44789972 1 F F8 1 3.74316153 1.75112588 1.44789972 1 F F9 1 -0.97294453 1.18409912 4.22488828 1 F F10 1 1.79727247 1.75112588 4.22488828 1 F F11 1 -0.97294453 1.18409912 7.12068772 1 [/CIF]
Cr2F8Sr2
Ibam
72
orthorhombic
mmm
3,880.928855
false
[CIF] data_ZrTaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82789538 _cell_length_b 2.82789538 _cell_length_c 8.63962458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaOs2 _chemical_formula_sum 'Zr1 Ta1 Os2' _cell_volume 69.09101107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.41394769 1.41394769 0.27219414 1 Os Os1 1 0.00000000 0.00000000 1.94687702 1 Ta Ta2 1 1.41394769 1.41394769 4.13485598 1 Zr Zr3 1 0.00000000 0.00000000 6.60550973 1 [/CIF]
Os2TaZr
P4mm
99
tetragonal
4mm
15,685.408508
false
[CIF] data_NaLaAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62481995 _cell_length_b 4.62481995 _cell_length_c 4.67952000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaAl2 _chemical_formula_sum 'Na1 La1 Al2' _cell_volume 100.09006409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 2.31240998 2.33976000 1 Al Al1 1 2.31240998 0.00000000 2.33976000 1 La La2 1 2.31240998 2.31240998 0.00000000 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2LaNa
P4/mmm
123
tetragonal
4/mmm
3,581.186311
false
[CIF] data_Re2Ni2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69548886 _cell_length_b 6.69548886 _cell_length_c 6.69548886 _cell_angle_alpha 149.90355084 _cell_angle_beta 149.90355084 _cell_angle_gamma 43.08299806 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2Ni2Br _chemical_formula_sum 'Re2 Ni2 Br1' _cell_volume 75.27954853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 -0.00000000 1.73836284 3.11391074 1 Ni Ni2 1 1.73836284 0.00000000 3.11391074 1 Re Re3 1 -0.00000000 0.00000000 7.55406147 1 Re Re4 1 -0.00000000 0.00000000 4.90158149 1 [/CIF]
BrNi2Re2
I4/mmm
139
tetragonal
4/mmm
12,566.720912
false
[CIF] data_ZnCr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56106644 _cell_length_b 4.14562534 _cell_length_c 5.04166187 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.80164498 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr2Re _chemical_formula_sum 'Zn1 Cr2 Re1' _cell_volume 52.39693287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.48956735 2.07281267 0.00203844 1 Cr Cr1 1 1.71841632 0.00000000 1.20945741 1 Re Re2 1 0.83895153 2.07281267 2.43449228 1 Zn Zn3 1 -0.19098157 0.00000000 3.75664511 1 [/CIF]
Cr2ReZn
Pm
6
monoclinic
m
11,268.849539
false
[CIF] data_CaB3H7O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52211900 _cell_length_b 6.67307652 _cell_length_c 8.43280527 _cell_angle_alpha 86.77136285 _cell_angle_beta 89.31108647 _cell_angle_gamma 78.21790026 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaB3H7O9 _chemical_formula_sum 'Ca2 B6 H14 O18' _cell_volume 358.71466329 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 4.98027158 0.24890891 3.16858940 1 Ca Ca1 1 3.00581642 6.74758709 5.25082960 1 B B2 1 3.86967535 2.43642007 6.72589497 1 B B3 1 4.11641265 4.56007593 1.69352403 1 B B4 1 5.89670712 2.17355388 5.32144326 1 B B5 1 2.08938088 4.82294212 3.09797574 1 B B6 1 2.04219921 0.38291566 2.22815714 1 B B7 1 5.94388879 6.61358034 6.19126186 1 H H8 1 3.14370596 4.13564128 7.57394936 1 H H9 1 4.84238204 2.86085472 0.84546964 1 H H10 1 6.21480180 3.18186217 3.54289152 1 H H11 1 1.77128620 3.81463383 4.87652748 1 H H12 1 2.79146749 2.23707941 2.94141664 1 H H13 1 5.19462051 4.75941659 5.47800236 1 H H14 1 2.10945948 1.68180052 0.54487954 1 H H15 1 5.87662852 5.31469548 7.87453946 1 H H16 1 0.93180279 2.79985853 6.56215410 1 H H17 1 7.05428521 4.19663747 1.85726490 1 H H18 1 5.11260777 0.34278491 0.24890328 1 H H19 1 2.87348023 6.65371109 8.17051572 1 H H20 1 6.35759122 1.13090204 0.87425563 1 H H21 1 1.62849678 5.86559396 7.54516337 1 O O22 1 5.00898033 2.97970478 6.19400659 1 O O23 1 2.97710767 4.01679122 2.22541241 1 O O24 1 2.97472632 3.16478398 7.49560667 1 O O25 1 5.01136168 3.83171202 0.92381233 1 O O26 1 3.54654571 1.10526915 6.54796738 1 O O27 1 4.43954229 5.89122685 1.87145162 1 O O28 1 5.69476526 2.42007772 3.89399813 1 O O29 1 2.29132274 4.57641828 4.52542087 1 O O30 1 5.70288144 0.70767263 5.49262689 1 O O31 1 2.28320656 6.28882337 2.92679211 1 O O32 1 2.75332711 1.28536961 3.19082509 1 O O33 1 5.23276089 5.71112639 5.22859391 1 O O34 1 5.35736739 1.04828773 0.90262065 1 O O35 1 2.62872061 5.94820827 7.51679835 1 O O36 1 1.51727302 1.05148156 1.01805931 1 O O37 1 6.46881498 5.94501444 7.40135969 1 O O38 1 0.80269442 2.48962358 5.64660964 1 O O39 1 7.18339358 4.50687242 2.77280936 1 [/CIF]
B6Ca2H14O18
P-1
2
triclinic
-1
2,069.790344
false
[CIF] data_Cr2AgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72008846 _cell_length_b 4.72008846 _cell_length_c 4.72008846 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2AgSe _chemical_formula_sum 'Cr2 Ag1 Se1' _cell_volume 74.35932122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.66880328 1.66880328 1.66880328 1 Cr Cr1 1 5.00640984 5.00640984 5.00640984 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 3.33760656 3.33760656 3.33760656 1 [/CIF]
AgCr2Se
F-43m
216
cubic
-43m
6,494.392736
false
[CIF] data_Co2TcSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69138568 _cell_length_b 4.69138568 _cell_length_c 4.69138568 _cell_angle_alpha 131.91321543 _cell_angle_beta 131.91321543 _cell_angle_gamma 70.36612826 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2TcSb _chemical_formula_sum 'Co2 Tc1 Sb1' _cell_volume 56.03451015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.91140371 0.00000000 1.91717053 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 1.91140371 1.91717053 1 Tc Tc3 1 0.00000000 0.00000000 3.83434105 1 [/CIF]
Co2SbTc
I-4m2
119
tetragonal
-42m
10,032.223575
false
[CIF] data_MgTa2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97726517 _cell_length_b 2.97726517 _cell_length_c 8.38821641 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.33317706 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTa2P _chemical_formula_sum 'Mg1 Ta2 P1' _cell_volume 71.35331957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 4.04250495 1 P P1 1 1.78484199 0.00000000 1.94703396 1 Ta Ta2 1 0.00000000 0.00000000 0.18771914 1 Ta Ta3 1 1.78484199 0.00000000 6.40506649 1 [/CIF]
MgPTa2
Cmm2
35
orthorhombic
mm2
9,708.51245
false
[CIF] data_YMn2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21998938 _cell_length_b 4.21998938 _cell_length_c 3.61996540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.70685164 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMn2Co _chemical_formula_sum 'Y1 Mn2 Co1' _cell_volume 64.43686440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.46960352 1.51404857 1.80998270 1 Mn Mn2 1 1.46960352 -1.51404858 1.80998270 1 Y Y3 1 2.93920704 -0.00000000 0.00000000 1 [/CIF]
CoMn2Y
Cmmm
65
orthorhombic
mmm
6,641.323312
false
[CIF] data_Ti2FeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85351911 _cell_length_b 2.85351911 _cell_length_c 7.30913162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2FeGe _chemical_formula_sum 'Ti2 Fe1 Ge1' _cell_volume 59.51512544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 3.65456581 1 Ti Ti2 1 1.42675956 1.42675956 5.75609230 1 Ti Ti3 1 1.42675956 1.42675956 1.55303932 1 [/CIF]
FeGeTi2
P4/mmm
123
tetragonal
4/mmm
6,255.96277
false
[CIF] data_BaLaAgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36827771 _cell_length_b 5.36827771 _cell_length_c 5.36827771 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaAgRh _chemical_formula_sum 'Ba1 La1 Ag1 Rh1' _cell_volume 109.39309885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.79594557 3.79594557 3.79594557 1 Ba Ba1 1 1.89797279 1.89797279 1.89797279 1 La La2 1 5.69391836 5.69391836 5.69391836 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBaLaRh
F-43m
216
cubic
-43m
7,392.539196
false
[CIF] data_KB2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83630490 _cell_length_b 3.90525058 _cell_length_c 5.37174647 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KB2Rh _chemical_formula_sum 'K1 B2 Rh1' _cell_volume 59.50004962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 1.41815245 0.00000000 2.68587324 1 K K2 1 1.41815245 1.95262529 0.00000000 1 Rh Rh3 1 0.00000000 1.95262529 2.68587324 1 [/CIF]
B2KRh
Pmmm
47
orthorhombic
mmm
4,566.500951
false
[CIF] data_CaLaOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96431432 _cell_length_b 4.96431432 _cell_length_c 4.96431432 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaOsAu _chemical_formula_sum 'Ca1 La1 Os1 Au1' _cell_volume 86.50930373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.75515016 1.75515016 1.75515016 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.26545048 5.26545048 5.26545048 1 Os Os3 1 3.51030032 3.51030032 3.51030032 1 [/CIF]
AuCaLaOs
F-43m
216
cubic
-43m
10,867.779914
false
[CIF] data_MoAs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02489904 _cell_length_b 3.02489904 _cell_length_c 8.81675574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAs2Cl _chemical_formula_sum 'Mo1 As2 Cl1' _cell_volume 80.67344024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 8.34021036 1 As As1 1 1.51244952 1.51244952 1.70004367 1 Cl Cl2 1 0.00000000 0.00000000 5.20799563 1 Mo Mo3 1 1.51244952 1.51244952 6.79363969 1 [/CIF]
As2ClMo
P4mm
99
tetragonal
4mm
5,789.227613
false
[CIF] data_SrMgReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06368143 _cell_length_b 5.06368143 _cell_length_c 5.06368143 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgReSn _chemical_formula_sum 'Sr1 Mg1 Re1 Sn1' _cell_volume 91.80876153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 5.37084522 5.37084522 5.37084522 1 Sn Sn2 1 1.79028174 1.79028174 1.79028174 1 Sr Sr3 1 3.58056348 3.58056348 3.58056348 1 [/CIF]
MgReSnSr
F-43m
216
cubic
-43m
7,539.393997
false
[CIF] data_TaSiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32519829 _cell_length_b 7.32519829 _cell_length_c 7.32519829 _cell_angle_alpha 157.22376976 _cell_angle_beta 157.22376976 _cell_angle_gamma 32.42995482 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiCl _chemical_formula_sum 'Ta1 Si1 Cl1' _cell_volume 58.86011227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 -0.00000000 0.57620161 1 Si Si1 1 0.00000000 -0.00000000 4.23609435 1 Ta Ta2 1 0.00000000 0.00000000 9.25531844 1 [/CIF]
ClSiTa
I4mm
107
tetragonal
4mm
6,897.356624
false
[CIF] data_NaZrTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42516505 _cell_length_b 4.89038994 _cell_length_c 4.91085224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrTi2 _chemical_formula_sum 'Na1 Zr1 Ti2' _cell_volume 82.25870353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 0.00000000 2.44519497 2.45542612 1 Ti Ti2 1 1.71258252 2.44519497 0.00000000 1 Zr Zr3 1 1.71258252 0.00000000 2.45542612 1 [/CIF]
NaTi2Zr
Pmmm
47
orthorhombic
mmm
4,238.171256
false
[CIF] data_TaSi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31491449 _cell_length_b 4.31491449 _cell_length_c 4.31491449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSi2Os _chemical_formula_sum 'Ta1 Si2 Os1' _cell_volume 56.80696464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 3.05110530 3.05110530 3.05110530 1 Si Si1 1 4.57665795 4.57665795 4.57665795 1 Si Si2 1 1.52555265 1.52555265 1.52555265 1 Ta Ta3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSi2Ta
Fm-3m
225
cubic
m-3m
12,493.255535
false
[CIF] data_CsAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.65846300 _cell_length_b 4.74581000 _cell_length_c 8.58403500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsAl _chemical_formula_sum 'Cs4 Al4' _cell_volume 434.20658826 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 7.29260565 1.18645250 2.98809400 1 Cs Cs1 1 1.96337415 1.18645250 1.30392350 1 Cs Cs2 1 3.36585735 3.55935750 5.59594100 1 Cs Cs3 1 8.69508885 3.55935750 7.28011150 1 Al Al4 1 0.14106476 1.18645250 4.76951303 1 Al Al5 1 5.47029626 1.18645250 8.10653947 1 Al Al6 1 10.51739824 3.55935750 3.81452197 1 Al Al7 1 5.18816674 3.55935750 0.47749553 1 [/CIF]
Al4Cs4
Pnma
62
orthorhombic
mmm
2,445.827412
false
[CIF] data_ScAlCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93260758 _cell_length_b 6.93260758 _cell_length_c 6.93260758 _cell_angle_alpha 153.53022102 _cell_angle_beta 153.53022102 _cell_angle_gamma 37.78278088 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlCl _chemical_formula_sum 'Sc1 Al1 Cl1' _cell_volume 66.09366048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 0.00000000 0.42800210 1 Cl Cl1 1 0.00000000 -0.00000000 3.82821316 1 Sc Sc2 1 -0.00000000 0.00000000 8.86213652 1 [/CIF]
AlClSc
I4mm
107
tetragonal
4mm
2,698.082408
false
[CIF] data_ZrZnCuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50086420 _cell_length_b 4.50086420 _cell_length_c 4.50086420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnCuPd _chemical_formula_sum 'Zr1 Zn1 Cu1 Pd1' _cell_volume 64.47223596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 3.18259160 3.18259160 3.18259160 1 Zn Zn2 1 1.59129580 1.59129580 1.59129580 1 Zr Zr3 1 4.77388740 4.77388740 4.77388740 1 [/CIF]
CuPdZnZr
F-43m
216
cubic
-43m
8,411.097194
false
[CIF] data_LaCoTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54600647 _cell_length_b 4.54600647 _cell_length_c 4.54600647 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoTc2 _chemical_formula_sum 'La1 Co1 Tc2' _cell_volume 66.43166688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.21451200 3.21451200 3.21451200 1 Tc Tc2 1 4.82176800 4.82176800 4.82176800 1 Tc Tc3 1 1.60725600 1.60725600 1.60725600 1 [/CIF]
CoLaTc2
Fm-3m
225
cubic
m-3m
9,889.772168
false
[CIF] data_LiNi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73475233 _cell_length_b 3.30523020 _cell_length_c 5.28270454 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi2Ge _chemical_formula_sum 'Li1 Ni2 Ge1' _cell_volume 47.75029233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 2.64135227 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.36737617 1.65261510 1.35351728 1 Ni Ni3 1 1.36737617 1.65261510 3.92918726 1 [/CIF]
GeLiNi2
Pmmm
47
orthorhombic
mmm
6,849.648679
false
[CIF] data_NiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24034918 _cell_length_b 3.24034918 _cell_length_c 7.29793722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSb _chemical_formula_sum 'Ni2 Sb2' _cell_volume 76.62733959 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.62017459 0.00000000 6.64540530 1 Ni Ni1 1 0.00000000 1.62017459 0.65253192 1 Sb Sb2 1 1.62017459 0.00000000 2.00248785 1 Sb Sb3 1 0.00000000 1.62017459 5.29544937 1 [/CIF]
Ni2Sb2
P4/nmm
129
tetragonal
4/mmm
7,820.966302
false
[CIF] data_CdGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45239505 _cell_length_b 4.45239505 _cell_length_c 4.45239505 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaTc2 _chemical_formula_sum 'Cd1 Ga1 Tc2' _cell_volume 62.41170924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.14831873 3.14831873 3.14831873 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.72247810 4.72247810 4.72247810 1 Tc Tc3 1 1.57415937 1.57415937 1.57415937 1 [/CIF]
CdGaTc2
Fm-3m
225
cubic
m-3m
10,108.933853
false
[CIF] data_BaYGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40345064 _cell_length_b 5.40345064 _cell_length_c 5.40345064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYGa2 _chemical_formula_sum 'Ba1 Y1 Ga2' _cell_volume 111.55744733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.73122489 5.73122489 5.73122489 1 Ga Ga1 1 1.91040830 1.91040830 1.91040830 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.82081659 3.82081659 3.82081659 1 [/CIF]
BaGa2Y
F-43m
216
cubic
-43m
5,443.150868
false
[CIF] data_NaFe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21807979 _cell_length_b 4.21807979 _cell_length_c 4.21807979 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFe2Ru _chemical_formula_sum 'Na1 Fe2 Ru1' _cell_volume 53.06759094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 2.98263282 2.98263282 2.98263282 1 Fe Fe1 1 4.47394923 4.47394923 4.47394923 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.49131641 1.49131641 1.49131641 1 [/CIF]
Fe2NaRu
F-43m
216
cubic
-43m
7,376.850821
false
[CIF] data_TlReCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52438284 _cell_length_b 5.52438284 _cell_length_c 3.30765102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlReCl2 _chemical_formula_sum 'Tl1 Re1 Cl2' _cell_volume 100.94555901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 2.76219142 0.00000000 1.65382551 1 Cl Cl1 1 0.00000000 2.76219142 1.65382551 1 Re Re2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.76219142 2.76219142 0.00000000 1 [/CIF]
Cl2ReTl
P4/mmm
123
tetragonal
4/mmm
7,591.543826
false
[CIF] data_Ag2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56682741 _cell_length_b 5.56682741 _cell_length_c 5.56682741 _cell_angle_alpha 150.41183270 _cell_angle_beta 128.20642839 _cell_angle_gamma 60.78465151 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2PdRu _chemical_formula_sum 'Ag2 Pd1 Ru1' _cell_volume 66.38141843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 2.43131924 4.75707779 1 Ag Ag1 1 -0.00000000 0.00000000 2.45766235 1 Pd Pd2 1 -0.00000000 2.43131924 0.09240156 1 Ru Ru3 1 0.00000000 0.00000000 7.09838430 1 [/CIF]
Ag2PdRu
Imm2
44
orthorhombic
mm2
10,587.058666
false
[CIF] data_MnFeOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27981694 _cell_length_b 4.27981694 _cell_length_c 4.27981694 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeOsAu _chemical_formula_sum 'Mn1 Fe1 Os1 Au1' _cell_volume 55.43200431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.53943137 4.53943137 4.53943137 1 Fe Fe1 1 3.02628758 3.02628758 3.02628758 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.51314379 1.51314379 1.51314379 1 [/CIF]
AuFeMnOs
F-43m
216
cubic
-43m
14,917.638531
false
[CIF] data_ZrMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16203699 _cell_length_b 6.95740056 _cell_length_c 2.84795556 _cell_angle_alpha 82.42866674 _cell_angle_beta 74.35654145 _cell_angle_gamma 23.21479181 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMoOs _chemical_formula_sum 'Zr1 Mo1 Os1' _cell_volume 51.28678048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.61578148 2.34522943 0.09877343 1 Os Os1 1 1.61578148 2.34522943 8.95489847 1 Zr Zr2 1 1.61578148 2.34522943 4.48068036 1 [/CIF]
MoOsZr
Fmm2
42
orthorhombic
mm2
12,219.731584
false
[CIF] data_CoMoPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36468716 _cell_length_b 4.36468716 _cell_length_c 4.36468716 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoMoPtW _chemical_formula_sum 'Co1 Mo1 Pt1 W1' _cell_volume 58.79553760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.62944983 4.62944984 4.62944984 1 Pt Pt2 1 1.54314995 1.54314995 1.54314994 1 W W3 1 3.08629989 3.08629989 3.08629989 1 [/CIF]
CoMoPtW
F-43m
216
cubic
-43m
15,076.387475
false
[CIF] data_InRePbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79422387 _cell_length_b 4.79422387 _cell_length_c 4.79422387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRePbW _chemical_formula_sum 'In1 Re1 Pb1 W1' _cell_volume 77.91838317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.08504231 5.08504231 5.08504232 1 Re Re2 1 1.69501410 1.69501410 1.69501410 1 W W3 1 3.39002821 3.39002821 3.39002821 1 [/CIF]
InPbReW
F-43m
216
cubic
-43m
14,748.778432
false
[CIF] data_Li4MnCu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88527021 _cell_length_b 5.88527021 _cell_length_c 5.88527021 _cell_angle_alpha 60.06431347 _cell_angle_beta 60.06431347 _cell_angle_gamma 60.06431347 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4MnCu3O8 _chemical_formula_sum 'Li4 Mn1 Cu3 O8' _cell_volume 144.34999465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 -0.00000000 -0.00000000 -0.00000000 1 Li Li1 1 -1.47274759 -0.85029122 4.80296607 1 Li Li2 1 0.00000000 1.70058243 4.80296607 1 Li Li3 1 1.47274759 -0.85029122 4.80296607 1 Mn Mn4 1 0.00000000 0.00000000 7.20444911 1 Cu Cu5 1 1.47274759 0.85029122 2.40148304 1 Cu Cu6 1 -0.00000000 -1.70058243 2.40148304 1 Cu Cu7 1 -1.47274759 0.85029122 2.40148304 1 O O8 1 0.00000000 -0.00000000 10.96169899 1 O O9 1 1.38070086 0.79714801 6.09937307 1 O O10 1 0.00000000 -1.59429603 6.09937307 1 O O11 1 -0.00000000 0.00000000 3.44719922 1 O O12 1 -1.38070086 0.79714801 6.09937307 1 O O13 1 -1.38070086 -0.79714801 8.30952514 1 O O14 1 0.00000000 1.59429603 8.30952514 1 O O15 1 1.38070086 -0.79714801 8.30952514 1 [/CIF]
Cu3Li4MnO8
R-3m
166
trigonal
-3m
4,616.784564
false
[CIF] data_CoIr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80182883 _cell_length_b 3.60333356 _cell_length_c 5.75702099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoIr2Se _chemical_formula_sum 'Co1 Ir2 Se1' _cell_volume 58.12244553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 4.28363588 1 Ir Ir1 1 1.40091441 1.80166678 5.66813794 1 Ir Ir2 1 0.00000000 0.00000000 1.29399450 1 Se Se3 1 1.40091441 1.80166678 3.14678410 1 [/CIF]
CoIr2Se
Pmm2
25
orthorhombic
mm2
14,922.715397
false
[CIF] data_K2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66328134 _cell_length_b 3.66328134 _cell_length_c 9.97483920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Ti _chemical_formula_sum 'K2 Ti1' _cell_volume 115.92499404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.83164067 1.05749823 6.94864954 1 K K1 1 0.00000000 2.11499647 3.02618966 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2Ti
P-3m1
164
trigonal
-3m
1,805.767034
false
[CIF] data_OsSe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42738759 _cell_length_b 3.42738759 _cell_length_c 7.23010622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsSe2Cl _chemical_formula_sum 'Os1 Se2 Cl1' _cell_volume 84.93195432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 3.97158982 1 Os Os1 1 1.71369379 1.71369379 5.99413323 1 Se Se2 1 0.00000000 0.00000000 6.87281787 1 Se Se3 1 1.71369379 1.71369379 1.23672464 1 [/CIF]
ClOsSe2
P4mm
99
tetragonal
4mm
7,499.977749
false
[CIF] data_TiTlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43056163 _cell_length_b 4.43056163 _cell_length_c 4.43056163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTlTc _chemical_formula_sum 'Ti1 Tl1 Tc1' _cell_volume 61.49805026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 1.56644008 1.56644009 1.56644009 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.69932026 4.69932026 4.69932026 1 [/CIF]
TcTiTl
F-43m
216
cubic
-43m
9,481.749166
false
[CIF] data_LiHf2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46135558 _cell_length_b 5.46135558 _cell_length_c 3.08037213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.95433994 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHf2Mg _chemical_formula_sum 'Li1 Hf2 Mg1' _cell_volume 82.61005503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.44796138 -2.31516933 1.54018606 1 Hf Hf1 1 1.44796138 2.31516933 1.54018606 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 2.89592276 0.00000000 0.00000000 1 [/CIF]
Hf2LiMg
Cmmm
65
orthorhombic
mmm
7,803.704276
false
[CIF] data_KLi2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42258408 _cell_length_b 3.42258408 _cell_length_c 9.05093348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2V _chemical_formula_sum 'K1 Li2 V1' _cell_volume 106.02337501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 6.64720168 1 Li Li1 1 1.71129204 1.71129204 0.74203698 1 Li Li2 1 0.00000000 0.00000000 2.34052071 1 V V3 1 1.71129204 1.71129204 3.84664085 1 [/CIF]
KLi2V
P4mm
99
tetragonal
4mm
1,627.62418
false
[CIF] data_SnTePb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51399114 _cell_length_b 6.51399114 _cell_length_c 6.51399114 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnTePb4 _chemical_formula_sum 'Sn1 Te1 Pb4' _cell_volume 195.44586806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 3.45287781 3.45287781 5.75929681 1 Pb Pb1 1 3.45287781 5.75929681 3.45287781 1 Pb Pb2 1 5.75929681 3.45287781 3.45287781 1 Pb Pb3 1 5.75929681 5.75929681 5.75929681 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 Te Te5 1 2.30304366 2.30304366 2.30304366 1 [/CIF]
Pb4SnTe
F-43m
216
cubic
-43m
9,134.304929
false
[CIF] data_TlCoTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44893076 _cell_length_b 4.44893076 _cell_length_c 4.44893076 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCoTcRu _chemical_formula_sum 'Tl1 Co1 Tc1 Ru1' _cell_volume 62.26613984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 3.14586911 3.14586911 3.14586911 1 Tc Tc2 1 1.57293456 1.57293456 1.57293456 1 Tl Tl3 1 4.71880367 4.71880367 4.71880367 1 [/CIF]
CoRuTcTl
F-43m
216
cubic
-43m
12,355.280435
false
[CIF] data_ZnIn2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97420906 _cell_length_b 4.97420906 _cell_length_c 4.97420906 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnIn2Si _chemical_formula_sum 'Zn1 In2 Si1' _cell_volume 87.02761979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.75864848 1.75864848 1.75864848 1 In In1 1 5.27594544 5.27594544 5.27594544 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.51729696 3.51729696 3.51729696 1 [/CIF]
In2SiZn
Fm-3m
225
cubic
m-3m
6,164.969978
false
[CIF] data_Na2NbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21235747 _cell_length_b 6.21235747 _cell_length_c 2.66603072 _cell_angle_alpha 99.75729167 _cell_angle_beta 99.75729167 _cell_angle_gamma 128.09116124 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NbOs _chemical_formula_sum 'Na2 Nb1 Os1' _cell_volume 74.66065101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.84324993 -2.79289731 1.22901591 1 Na Na1 1 0.84324993 2.79289731 1.22901591 1 Nb Nb2 1 -0.00000000 -0.00000000 0.00000000 1 Os Os3 1 2.71887545 -0.00000000 0.00000000 1 [/CIF]
Na2NbOs
C2/m
12
monoclinic
2/m
7,319.917959
false
[CIF] data_LiCu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72359998 _cell_length_b 4.72359998 _cell_length_c 4.72359998 _cell_angle_alpha 127.85663523 _cell_angle_beta 127.85663523 _cell_angle_gamma 76.85738862 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2Pb _chemical_formula_sum 'Li1 Cu2 Pb1' _cell_volume 63.79130699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 -0.00000000 3.70038453 1 Cu Cu1 1 0.00000000 2.07599989 1.85019226 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.07599989 0.00000000 1.85019227 1 [/CIF]
Cu2LiPb
I-4m2
119
tetragonal
-42m
8,882.569648
false
[CIF] data_AlIrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35483969 _cell_length_b 7.35483969 _cell_length_c 7.35483969 _cell_angle_alpha 152.53588330 _cell_angle_beta 150.25077319 _cell_angle_gamma 40.93045385 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIrBr2 _chemical_formula_sum 'Al1 Ir1 Br2' _cell_volume 90.85453178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 0.00000000 1.88802108 2.11031370 1 Br Br2 1 1.74590445 -0.00000000 4.78032204 1 Ir Ir3 1 -0.00000000 0.00000000 6.89063574 1 [/CIF]
AlBr2Ir
Immm
71
orthorhombic
mmm
6,927.064083
false
[CIF] data_LiZnAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44211264 _cell_length_b 4.44211264 _cell_length_c 4.44211264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnAgPt _chemical_formula_sum 'Li1 Zn1 Ag1 Pt1' _cell_volume 61.98030408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.57052399 1.57052398 1.57052399 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.14104797 3.14104797 3.14104797 1 Zn Zn3 1 4.71157196 4.71157196 4.71157196 1 [/CIF]
AgLiPtZn
F-43m
216
cubic
-43m
10,054.094094
false
[CIF] data_VOsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70193445 _cell_length_b 3.84323743 _cell_length_c 5.37935432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOsRh2 _chemical_formula_sum 'V1 Os1 Rh2' _cell_volume 55.86015983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 2.68967716 1 Rh Rh1 1 1.35096722 1.92161872 4.03189384 1 Rh Rh2 1 1.35096722 1.92161872 1.34746048 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsRh2V
Pmmm
47
orthorhombic
mmm
13,287.483272
false
[CIF] data_HfInReW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66350141 _cell_length_b 4.66350141 _cell_length_c 4.66350141 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfInReW _chemical_formula_sum 'Hf1 In1 Re1 W1' _cell_volume 71.71687197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.64879673 1.64879673 1.64879674 1 In In1 1 -0.00000000 -0.00000000 0.00000000 1 Re Re2 1 4.94639020 4.94639020 4.94639021 1 W W3 1 3.29759347 3.29759347 3.29759347 1 [/CIF]
HfInReW
F-43m
216
cubic
-43m
15,359.382838
false
[CIF] data_HgRu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63779492 _cell_length_b 4.63779492 _cell_length_c 4.63779492 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgRu2Pb _chemical_formula_sum 'Hg1 Ru2 Pb1' _cell_volume 70.53742870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.27941624 3.27941624 3.27941624 1 Ru Ru2 1 4.91912436 4.91912436 4.91912436 1 Ru Ru3 1 1.63970812 1.63970812 1.63970812 1 [/CIF]
HgPbRu2
Fm-3m
225
cubic
m-3m
14,358.513084
false
[CIF] data_Ba2MgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88646160 _cell_length_b 3.88646160 _cell_length_c 8.84691090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgIr _chemical_formula_sum 'Ba2 Mg1 Ir1' _cell_volume 133.62890678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.94323080 1.94323080 2.66513589 1 Ba Ba1 1 1.94323080 1.94323080 6.18177501 1 Ir Ir2 1 0.00000000 0.00000000 4.42345545 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2IrMg
P4/mmm
123
tetragonal
4/mmm
6,103.596566
false
[CIF] data_MnGe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89916447 _cell_length_b 4.39164192 _cell_length_c 5.09774822 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.57525157 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGe2Bi _chemical_formula_sum 'Mn1 Ge2 Bi1' _cell_volume 85.80979731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.48179562 0.00000000 2.50558075 1 Ge Ge1 1 0.06203811 2.19582096 4.10572299 1 Ge Ge2 1 2.90155313 2.19582096 0.90543851 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGe2Mn
P2/m
10
monoclinic
2/m
7,918.559713
false
[CIF] data_BaYHfRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13865813 _cell_length_b 5.13865813 _cell_length_c 5.13865813 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYHfRh _chemical_formula_sum 'Ba1 Y1 Hf1 Rh1' _cell_volume 95.94761384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.45037002 5.45037002 5.45037002 1 Hf Hf1 1 3.63358001 3.63358001 3.63358001 1 Rh Rh2 1 1.81679001 1.81679001 1.81679001 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHfRhY
F-43m
216
cubic
-43m
8,785.384782
false
[CIF] data_Zr9CoMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81352896 _cell_length_b 8.81352896 _cell_length_c 8.43134744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9CoMo4 _chemical_formula_sum 'Zr18 Co2 Mo8' _cell_volume 567.18833357 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.40676448 2.54424666 6.32351058 1 Co Co1 1 -0.00000000 5.08849332 2.10783686 1 Mo Mo2 1 -0.00000000 1.68434337 6.32351058 1 Mo Mo3 1 2.94808033 6.79056829 6.32351058 1 Mo Mo4 1 -2.94808033 6.79056829 6.32351058 1 Mo Mo5 1 4.40676448 5.94839661 2.10783686 1 Mo Mo6 1 1.45868415 0.84217168 2.10783686 1 Mo Mo7 1 7.35484481 0.84217168 2.10783686 1 Mo Mo8 1 0.00000000 0.00000000 4.21567372 1 Mo Mo9 1 0.00000000 0.00000000 0.00000000 1 Zr Zr10 1 4.40676448 4.56674878 4.70454087 1 Zr Zr11 1 2.65522627 1.53299560 4.70454087 1 Zr Zr12 1 6.15830269 1.53299560 4.70454087 1 Zr Zr13 1 0.00000000 3.06599120 0.48886715 1 Zr Zr14 1 1.75153821 6.09974437 0.48886715 1 Zr Zr15 1 -1.75153821 6.09974437 0.48886715 1 Zr Zr16 1 1.75153821 6.09974437 3.72680657 1 Zr Zr17 1 0.00000000 3.06599120 3.72680657 1 Zr Zr18 1 -1.75153821 6.09974437 3.72680657 1 Zr Zr19 1 2.65522627 1.53299560 7.94248029 1 Zr Zr20 1 4.40676448 4.56674878 7.94248029 1 Zr Zr21 1 6.15830269 1.53299560 7.94248029 1 Zr Zr22 1 -0.00000000 6.98178167 6.32351058 1 Zr Zr23 1 -1.63963581 4.14184914 6.32351058 1 Zr Zr24 1 1.63963581 4.14184914 6.32351058 1 Zr Zr25 1 4.40676448 0.65095831 2.10783686 1 Zr Zr26 1 6.04640029 3.49089083 2.10783686 1 Zr Zr27 1 2.76712867 3.49089083 2.10783686 1 [/CIF]
Co2Mo8Zr18
P6_3/mmc
194
hexagonal
6/mmm
7,399.91007
false
[CIF] data_BaPdRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83557384 _cell_length_b 4.83557384 _cell_length_c 4.83557384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPdRuW _chemical_formula_sum 'Ba1 Pd1 Ru1 W1' _cell_volume 79.95194976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.12890058 5.12890058 5.12890058 1 Pd Pd1 1 3.41926705 3.41926705 3.41926705 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.70963353 1.70963353 1.70963353 1 [/CIF]
BaPdRuW
F-43m
216
cubic
-43m
10,979.789785
false
[CIF] data_In3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07327596 _cell_length_b 6.07327596 _cell_length_c 6.07327596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3Sn _chemical_formula_sum 'In6 Sn2' _cell_volume 224.01084572 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.51831899 0.00000000 3.03663798 1 In In1 1 4.55495697 0.00000000 3.03663798 1 In In2 1 3.03663798 1.51831899 0.00000000 1 In In3 1 3.03663798 4.55495697 0.00000000 1 In In4 1 0.00000000 3.03663798 4.55495697 1 In In5 1 0.00000000 3.03663798 1.51831899 1 Sn Sn6 1 3.03663798 3.03663798 3.03663798 1 Sn Sn7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In6Sn2
Pm-3n
223
cubic
m-3m
6,866.648923
false
[CIF] data_ZrHC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40463676 _cell_length_b 4.40463676 _cell_length_c 4.40463676 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHC3 _chemical_formula_sum 'Zr1 H1 C3' _cell_volume 85.45358691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 0.00000000 0.00000000 0.00000000 1 C C1 1 2.20231838 0.00000000 2.20231838 1 C C2 1 2.20231838 2.20231838 0.00000000 1 C C3 1 0.00000000 2.20231838 2.20231838 1 Zr Zr4 1 2.20231838 2.20231838 2.20231838 1 [/CIF]
C3HZr
Pm-3m
221
cubic
m-3m
2,492.434279
false
[CIF] data_InAsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11290029 _cell_length_b 5.11290029 _cell_length_c 5.11290029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAsPb _chemical_formula_sum 'In1 As1 Pb1' _cell_volume 94.51200434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.61536647 3.61536647 3.61536647 1 Pb Pb2 1 1.80768323 1.80768323 1.80768323 1 [/CIF]
AsInPb
F-43m
216
cubic
-43m
6,974.074008
false
[CIF] data_K2TbGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90883677 _cell_length_b 5.90883677 _cell_length_c 5.90883677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TbGa _chemical_formula_sum 'K2 Tb1 Ga1' _cell_volume 145.87839679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 2.08908928 2.08908928 2.08908928 1 K K2 1 6.26726783 6.26726783 6.26726783 1 Tb Tb3 1 4.17817855 4.17817855 4.17817855 1 [/CIF]
GaK2Tb
Fm-3m
225
cubic
m-3m
3,492.827163
false
[CIF] data_AlCdTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44153670 _cell_length_b 6.44153670 _cell_length_c 6.44153670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdTe4 _chemical_formula_sum 'Al1 Cd1 Te4' _cell_volume 188.99636792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 2.27742714 2.27742714 2.27742714 1 Te Te2 1 3.42066997 3.42066997 5.68903859 1 Te Te3 1 3.42066997 5.68903859 3.42066997 1 Te Te4 1 5.68903859 3.42066997 3.42066997 1 Te Te5 1 5.68903859 5.68903859 5.68903859 1 [/CIF]
AlCdTe4
F-43m
216
cubic
-43m
5,709.135617
false
[CIF] data_BeCoHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95144534 _cell_length_b 2.95144534 _cell_length_c 7.29778471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoHg2 _chemical_formula_sum 'Be1 Co1 Hg2' _cell_volume 63.57121859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 4.18673055 1 Co Co1 1 1.47572267 1.47572267 4.98272131 1 Hg Hg2 1 0.00000000 0.00000000 6.87092531 1 Hg Hg3 1 1.47572267 1.47572267 2.20408460 1 [/CIF]
BeCoHg2
P4mm
99
tetragonal
4mm
12,253.989037
false
[CIF] data_TiNbB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01504073 _cell_length_b 4.01504073 _cell_length_c 4.01504073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbB2 _chemical_formula_sum 'Ti1 Nb1 B2' _cell_volume 45.76725543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 4.25859380 4.25859380 4.25859380 1 B B1 1 1.41953127 1.41953127 1.41953127 1 Nb Nb2 1 2.83906253 2.83906253 2.83906253 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2NbTi
Fm-3m
225
cubic
m-3m
5,892.070001
false
[CIF] data_ZrGaNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47424255 _cell_length_b 4.47424255 _cell_length_c 4.47424255 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaNiOs _chemical_formula_sum 'Zr1 Ga1 Ni1 Os1' _cell_volume 63.33497070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.58188363 1.58188363 1.58188363 1 Ni Ni1 1 -0.00000000 -0.00000000 -0.00000000 1 Os Os2 1 4.74565087 4.74565087 4.74565088 1 Zr Zr3 1 3.16376725 3.16376725 3.16376725 1 [/CIF]
GaNiOsZr
F-43m
216
cubic
-43m
10,746.129728
false
[CIF] data_LiCoNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43333445 _cell_length_b 3.58983389 _cell_length_c 4.92894431 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoNi2 _chemical_formula_sum 'Li1 Co1 Ni2' _cell_volume 43.05564198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 2.46447216 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.21666722 1.79491694 1.27319575 1 Ni Ni3 1 1.21666722 1.79491694 3.65574856 1 [/CIF]
CoLiNi2
Pmmm
47
orthorhombic
mmm
7,067.878391
false
[CIF] data_NaNbPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28839341 _cell_length_b 5.28839341 _cell_length_c 5.28839341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbPt4 _chemical_formula_sum 'Na1 Nb1 Pt4' _cell_volume 104.58183739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.86972942 1.86972942 1.86972942 1 Pt Pt2 1 2.80316508 2.80316508 4.67575260 1 Pt Pt3 1 2.80316508 4.67575260 2.80316508 1 Pt Pt4 1 4.67575260 2.80316508 2.80316508 1 Pt Pt5 1 4.67575260 4.67575260 4.67575260 1 [/CIF]
NaNbPt4
F-43m
216
cubic
-43m
14,230.276822
false
[CIF] data_AlBSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16996879 _cell_length_b 6.16996879 _cell_length_c 6.16996879 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBSb4 _chemical_formula_sum 'Al1 B1 Sb4' _cell_volume 166.08633568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 6.54424016 6.54424016 6.54424015 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 5.45591990 5.45591990 3.26973364 1 Sb Sb3 1 5.45591990 3.26973364 5.45591990 1 Sb Sb4 1 3.26973364 5.45591990 5.45591990 1 Sb Sb5 1 3.26973364 3.26973364 3.26973364 1 [/CIF]
AlBSb4
F-43m
216
cubic
-43m
5,247.300629
false
[CIF] data_AgMo2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90767572 _cell_length_b 3.90767572 _cell_length_c 4.09889625 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMo2Ir _chemical_formula_sum 'Ag1 Mo2 Ir1' _cell_volume 62.58985690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.95383786 1.95383786 0.00000000 1 Mo Mo2 1 1.95383786 0.00000000 2.04944813 1 Mo Mo3 1 0.00000000 1.95383786 2.04944813 1 [/CIF]
AgIrMo2
P4/mmm
123
tetragonal
4/mmm
13,053.135061
false
[CIF] data_ZrNiBRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19562826 _cell_length_b 4.19562826 _cell_length_c 4.19562826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiBRh _chemical_formula_sum 'Zr1 Ni1 B1 Rh1' _cell_volume 52.22470657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 1.48337860 1.48337860 1.48337860 1 Rh Rh1 1 4.45013579 4.45013579 4.45013579 1 Ni Ni2 1 2.96675720 2.96675720 2.96675720 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BNiRhZr
F-43m
216
cubic
-43m
8,382.515077
false
[CIF] data_CdH4(C2O3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54656644 _cell_length_b 8.54656644 _cell_length_c 8.54656644 _cell_angle_alpha 88.67947458 _cell_angle_beta 88.67947458 _cell_angle_gamma 88.67947458 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdH4(C2O3)2 _chemical_formula_sum 'Cd3 H12 C12 O18' _cell_volume 623.78379764 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -2.98664671 1.72434128 2.52339811 1 Cd Cd1 1 0.00000000 -3.44868257 2.52339811 1 Cd Cd2 1 2.98664671 1.72434128 2.52339811 1 H H3 1 1.06290575 4.59375209 9.52592879 1 H H4 1 -4.50975889 -1.37637266 9.52592879 1 H H5 1 3.44685313 -3.21737943 9.52592879 1 H H6 1 -1.06290575 -4.59375209 5.61445985 1 H H7 1 4.50975889 1.37637266 5.61445985 1 H H8 1 -3.44685313 3.21737943 5.61445985 1 H H9 1 0.26739448 5.04073584 8.19485143 1 H H10 1 -4.49910253 -2.28879751 8.19485143 1 H H11 1 4.23170805 -2.75193833 8.19485143 1 H H12 1 -0.26739448 -5.04073584 6.94553721 1 H H13 1 4.49910253 2.28879751 6.94553721 1 H H14 1 -4.23170805 2.75193833 6.94553721 1 C C15 1 -0.97242230 3.19577343 4.76454909 1 C C16 1 -2.28140983 -2.44002913 4.76454909 1 C C17 1 3.25383213 -0.75574430 4.76454909 1 C C18 1 0.97242230 -3.19577343 10.37583955 1 C C19 1 2.28140983 2.44002913 10.37583955 1 C C20 1 -3.25383213 0.75574430 10.37583955 1 C C21 1 -2.68755197 -1.11753869 4.25381331 1 C C22 1 2.31159288 -1.76871893 4.25381331 1 C C23 1 0.37595909 2.88625762 4.25381331 1 C C24 1 2.68755197 1.11753869 10.88657533 1 C C25 1 -2.31159288 1.76871893 10.88657533 1 C C26 1 -0.37595909 -2.88625762 10.88657533 1 O O27 1 -2.15393377 2.89172723 4.43631051 1 O O28 1 -1.42734236 -3.31122498 4.43631051 1 O O29 1 3.58127613 0.41949775 4.43631051 1 O O30 1 2.15393377 -2.89172723 10.70407813 1 O O31 1 1.42734236 3.31122498 10.70407813 1 O O32 1 -3.58127613 -0.41949775 10.70407813 1 O O33 1 -2.30892879 -0.39790899 3.28758399 1 O O34 1 1.49906369 -1.80063649 3.28758399 1 O O35 1 0.80986510 2.19854548 3.28758399 1 O O36 1 2.30892879 0.39790899 11.85280465 1 O O37 1 -1.49906369 1.80063649 11.85280465 1 O O38 1 -0.80986510 -2.19854548 11.85280465 1 O O39 1 1.06540259 5.21988110 8.75547478 1 O O40 1 -5.05325093 -1.68727484 8.75547478 1 O O41 1 3.98784835 -3.53260626 8.75547478 1 O O42 1 -1.06540259 -5.21988110 6.38491385 1 O O43 1 5.05325093 1.68727484 6.38491385 1 O O44 1 -3.98784835 3.53260626 6.38491385 1 [/CIF]
C12H12Cd3O18
R-3
148
trigonal
-3
2,080.242352
true