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values | model stringclasses 168
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1102318 | Li2 Cd2 B2 O6 | Li2 Cd2 B2 O6 | P-1 | 2 | null | 2026-02-24 18:29:16 | 1,064 | 1.837173 | 1.868638 | 1.902002 | 0.031465 | 0.033364 | 0.064828 | 0.064828 | -72.014796 | 0.002504 | 0.00281 | 0.003155 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[1.980367198488696, 4.144519585051652, 2.5520814715765785], [0.0158881402498232, -0.0049032716659302, 5.278254456475238], [6.151124303024327, -0.0144785526945652, 0.0576024027924353]], "pbc": [true, true, true], "a": 5.2... | null | 0.002823 | 0.003155 | null | [
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0.07681757632622355,
-... | null | 5 | null | null | 0.056974 | 0.005048 | other | null |
mp-3524 | Li2 P2 N4 | Li4 P4 N8 | I-42d | 122 | null | 2026-02-24 17:34:01 | 1,064 | 2.122147 | 2.125537 | 2.132324 | 0.00339 | 0.006788 | 0.010178 | 0.010178 | -54.478182 | 0.002403 | 0.002423 | 0.002509 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.970999586996599, -2.71023496312e-05, -2.1470452999631036], [-1.1609120288398906, 3.7975154136989184, -2.1470448239894955], [0.0538704313048747, 0.0727998652951698, 4.845311650584496]], "pbc": [true, true, true], "a": ... | null | 0.002445 | 0.002509 | null | [
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0.06107414924542527,
0.20230053158855235,
-0.05... | null | 2 | null | null | 0.056629 | 0.002097 | other | null |
mp-550751 | Ba1 Be1 Si1 O4 | Ba2 Be2 Si2 O8 | Cm | 8 | null | 2026-02-24 16:56:55 | 1,064 | 1.763491 | 1.777105 | 1.768898 | 0.013614 | 0.008206 | 0.005407 | 0.013614 | -51.395542 | 0.001304 | 0.001379 | 0.001329 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.39794902349725, 0.0129689123917949, 2.4829834088255516], [1.449924944095531, 4.269409772977539, 2.496464185816733], [-0.0375049447356721, -0.0417497895577223, 5.153548624658265]], "pbc": [true, true, true], "a": 5.050... | null | 0.001337 | 0.001379 | null | [
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0.04855094566555189,
0.008494501340594231,
0.08442961538952114,
-0.11... | null | 3 | null | null | 0.016848 | -0.011912 | other | null |
mp-1222376 | Li2 Zn2 B2 O6 | Li4 Zn4 B4 O12 | Cc | 9 | null | 2026-02-24 18:47:18 | 1,064 | 1.828826 | 1.827896 | 1.753626 | 0.00093 | 0.07427 | 0.0752 | 0.0752 | -73.961068 | 0.001886 | 0.001887 | 0.001597 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.542008464327026, 4.42557990740408, -0.0079361632335652], [-2.542008464327026, 4.42557990740408, -0.0079361632335652], [0.0, 2.9342569346387055, 5.3129696041764864]], "pbc": [true, true, true], "a": 5.103687640541477, ... | null | 0.00179 | 0.001887 | null | [
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0.08166054678880398,
-0.057209095... | null | 5 | null | null | 0.053065 | 0.00031 | other | null |
mp-2542 | Be2 O2 | Be2 O2 | P6_3mc | 186 | null | 2026-02-24 17:12:06 | 1,064 | 1.77161 | 1.77161 | 1.788938 | 0 | 0.017329 | 0.017329 | 0.017329 | -28.454036 | 0.000762 | 0.000762 | 0.000811 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.6952272914508373, -5.475489461e-07, 0.0], [-1.347613119486629, 2.3341354051410796, 0.0], [0.0, 0.0, 4.382913311155062]], "pbc": [true, true, true], "a": 2.695227291450893, "b": 2.6952271164682196, "c": 4.3829133111550... | null | 0.000778 | 0.000811 | null | [
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-0.034853140... | null | 5 | null | null | 0.045585 | 0.001252 | other | null |
mp-554885 | Ba3 Si6 N4 O9 | Ba3 Si6 N4 O9 | P3 | 143 | null | 2026-02-24 19:07:00 | 1,064 | 1.865986 | 1.866013 | 1.855641 | 0.000027 | 0.010372 | 0.010345 | 0.010372 | -168.877306 | 0.001661 | 0.001661 | 0.001644 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.645096106824054, -6.313490210160245, -1.2171722911e-06], [3.64509582956571, 6.313490049411749, 4.757473617e-07], [-6.961114457e-07, 9.189075761e-07, 6.851928959208092]], "pbc": [true, true, true], "a": 7.2901909619552... | null | 0.001655 | 0.001661 | null | [
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0.056517740084815984,
0.009847183835863237,
0.09833056962751133,
-0.0... | null | 3 | null | null | -0.00594 | 0.00788 | other | null |
mp-10517 | Li2 Sc2 P4 O14 | Li2 Sc2 P4 O14 | P2_1 | 4 | null | 2026-02-24 20:00:39 | 1,064 | 1.741322 | 1.738132 | 1.709416 | 0.00319 | 0.028716 | 0.031906 | 0.031906 | -165.246512 | 0.001694 | 0.001726 | 0.001521 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.393700648622241, 0.0, 0.0], [0.0, 4.948375964513474, 0.0449786220440558], [0.0, 2.3363964026367428, 6.678491352119753]], "pbc": [true, true, true], "a": 8.393700648622241, "b": 4.9485803785141895, "c": 7.0753794873909... | null | 0.001647 | 0.001726 | null | [
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0.059108014744005316,
0.029656154523405708,
0.11000545209355103,
-0.... | null | 3 | null | null | 0.037178 | 0.001359 | other | null |
mp-8070 | Li4 Be2 Si2 O8 | Li4 Be2 Si2 O8 | Pc | 7 | null | 2026-02-24 19:49:40 | 1,064 | 1.708304 | 1.704054 | 1.696556 | 0.004249 | 0.007499 | 0.011748 | 0.011748 | -107.69196 | 0.000966 | 0.000939 | 0.000914 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.712563787588782, -2.81974087e-08, -0.0131039263278045], [-2.49383828e-08, 4.94317406326942, 9.311588268e-07], [0.0165046879222663, 1.1458731685e-06, 6.083305193908324]], "pbc": [true, true, true], "a": 4.7125820061807... | null | 0.000939 | 0.000966 | null | [
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0.0481921666890325,
0.043205825340092874,
0.12524927720973777,
-0.080990... | null | 5 | null | null | 0.024104 | 0.005091 | other | null |
mp-30161 | Si4 C2 N8 | Si8 C4 N16 | Aea2 | 41 | null | 2026-02-24 19:12:43 | 1,064 | 1.844317 | 1.763492 | 2.287276 | 0.080825 | 0.523784 | 0.442959 | 0.523784 | -116.087617 | 0.002169 | 0.001559 | 0.005574 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.588676412079023, 0.0, -1.6244581779570655], [0.0, 5.485924173501107, 0.0], [0.0447596439736043, 0.0, 7.412765663382148]], "pbc": [true, true, true], "a": 4.8677320783607225, "b": 5.485924173501107, "c": 7.412900795636... | null | 0.003101 | 0.005574 | null | [
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0.0686916639248731,
0.08212642801271205,
0.09586183094075527,
-0.081970... | null | 2 | null | null | 0.378688 | 0.031558 | other | null |
mp-556806 | Ba2 Na4 Si4 O12 | Ba2 Na4 Si4 O12 | P2_1 | 4 | null | 2026-02-24 19:32:55 | 1,064 | 1.687425 | 1.693842 | 1.713447 | 0.006418 | 0.019605 | 0.026023 | 0.026023 | -148.275783 | 0.001304 | 0.001299 | 0.001372 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.780250727059456, 0.0, 0.0], [0.0, 5.718137510568958, 0.0151384908010382], [0.0, 0.3182009421170492, 11.388841009459103]], "pbc": [true, true, true], "a": 4.780250727059456, "b": 5.718157549742704, "c": 11.393285363682... | null | 0.001325 | 0.001372 | null | [
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0.0034007600014830898,
0.04352275838560938,
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0.0838333064727572,
-0.1249... | null | 3 | null | null | 0.021759 | -0.006674 | other | null |
mp-567771 | Ba1 Si6 N8 | Ba2 Si12 N16 | Imm2 | 44 | null | 2026-02-24 19:14:09 | 1,064 | 2.258432 | 2.223806 | 2.231774 | 0.034626 | 0.007968 | 0.026659 | 0.034626 | -117.954885 | 0.003963 | 0.00353 | 0.003629 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.518299721359778, -2.7081956298e-05, 1.7826740687500753], [1.891709119234317, 6.074016288223854, 1.8225106918082887], [-0.0002507786090872, 0.0014039507792094, 6.617706739067924]], "pbc": [true, true, true], "a": 4.857... | null | 0.003707 | 0.003963 | null | [
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0.05927222661578673,
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0.1634512288058917,
-0.0... | null | 2 | null | null | 0.047078 | 0.015747 | other | null |
mp-7913 | Be4 Si4 N8 | Be4 Si4 N8 | Pna2_1 | 33 | null | 2026-02-24 19:48:23 | 1,064 | 2.202681 | 2.167142 | 2.169794 | 0.035539 | 0.002652 | 0.032888 | 0.035539 | -122.956118 | 0.002247 | 0.002076 | 0.002074 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.6797728699033145, 0.0, -9.88421791e-08], [0.0, 4.9759706448517065, 0.0], [-1.211672723e-07, 0.0, 5.750052755552912]], "pbc": [true, true, true], "a": 4.679772869903315, "b": 4.9759706448517065, "c": 5.750052755552913,... | null | 0.002133 | 0.002247 | null | [
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0.08755254963093527,
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0.17948899842616087,
-0.07... | null | 2 | null | null | 0.079374 | 0.001119 | other | null |
mp-554159 | Li4 Be2 Si2 O8 | Li8 Be4 Si4 O16 | C222_1 | 20 | null | 2026-02-24 19:38:46 | 1,064 | 1.694727 | 1.69458 | 1.683241 | 0.000148 | 0.011339 | 0.011486 | 0.011486 | -107.614474 | 0.000944 | 0.000944 | 0.000891 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.874034672307458, 0.0051439817979303, 3.678864084e-07], [-0.047203032743834, 4.8738088420385415, -3.678864134e-07], [4.613597707e-07, -4.564311336e-07, 6.105819624414415]], "pbc": [true, true, true], "a": 4.87403738674... | null | 0.000926 | 0.000944 | null | [
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0.04443744075898373,
0.12257456413688733,
-0.08372... | null | 5 | null | null | 0.023823 | 0.005084 | other | null |
mp-13725 | Li6 P2 O8 | Li6 P2 O8 | Pmn2_1 | 31 | null | 2026-02-24 19:30:54 | 1,064 | 1.652332 | 1.649182 | 1.64809 | 0.00315 | 0.001092 | 0.004242 | 0.004242 | -100.502709 | 0.000847 | 0.000849 | 0.000849 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.844422778437492, -1.924947191e-07, 0.0], [-2.008889966e-07, 5.2069934217784715, 0.0], [0.0, 0.0, 6.071344692001821]], "pbc": [true, true, true], "a": 4.844422778437496, "b": 5.206993421778475, "c": 6.071344692001821, ... | null | 0.000849 | 0.000849 | null | [
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-0.079433... | null | 5 | null | null | 0.011865 | 0.003936 | other | null |
mp-10510 | Ba2 Al2 B2 O6 F4 | Ba2 Al2 B2 O6 F4 | P6_3/m | 176 | null | 2026-02-24 20:01:00 | 1,064 | 1.717091 | 1.717091 | 1.673918 | 0 | 0.043173 | 0.043173 | 0.043173 | -112.381113 | 0.001019 | 0.001019 | 0.000896 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9177654930309425, -6.44173655906e-05, 0.0], [-2.4587955049147667, 4.258859208458181, 0.0], [0.0, 0.0, 9.496489928801116]], "pbc": [true, true, true], "a": 4.917765493452841, "b": 4.917678018380027, "c": 9.496489928801... | null | 0.000978 | 0.001019 | null | [
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-0.0702128... | null | 5 | null | null | 0.054169 | 0.007121 | other | null |
mp-3677 | Mg4 Si4 N8 | Mg4 Si4 N8 | Pna2_1 | 33 | null | 2026-02-24 19:32:31 | 1,064 | 2.147489 | 2.133872 | 2.122359 | 0.013617 | 0.011513 | 0.02513 | 0.02513 | -113.285341 | 0.002934 | 0.002859 | 0.002756 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.998340562127233, 0.0, 0.0], [0.0, 5.272214813414545, 0.0], [0.0, 0.0, 6.4720009020242415]], "pbc": [true, true, true], "a": 4.998340562127233, "b": 5.272214813414545, "c": 6.4720009020242415, "alpha": 90.0, "beta": 90... | null | 0.00285 | 0.002934 | null | [
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0.18482637759057105,
-0.... | null | 2 | null | null | 0.043058 | 0.016714 | other | null |
mp-567278 | Sr1 Si6 N8 | Sr2 Si12 N16 | Imm2 | 44 | null | 2026-02-24 19:30:42 | 1,064 | 2.23016 | 2.191555 | 2.198525 | 0.038606 | 0.00697 | 0.031635 | 0.038606 | -117.530624 | 0.003856 | 0.003399 | 0.00348 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.490004539958152, 0.0001262446593269, 1.7754043299113718], [1.8800400524964331, 6.028050436008291, 1.8112879797223367], [-0.0010763508020363, -0.0032230182393127, 6.5690671877520925]], "pbc": [true, true, true], "a": 4... | null | 0.003578 | 0.003856 | null | [
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0.09188299540787816,
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0.13863202488713788,
0.01654835186406989,
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0.062145924442535055,
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0.16955890396133005,
-0.09... | null | 2 | null | null | 0.036981 | 0.011093 | other | null |
mp-6208 | Ca4 Be2 Si4 O14 | Ca4 Be2 Si4 O14 | P-42_1m | 113 | null | 2026-02-24 19:58:14 | 1,064 | 1.754594 | 1.754594 | 1.779186 | 0 | 0.024591 | 0.024591 | 0.024591 | -177.932624 | 0.001254 | 0.001254 | 0.001293 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.450830332479246, 0.0, 0.0], [0.0, 7.450830332479246, 0.0], [0.0, 0.0, 5.0101085051722025]], "pbc": [true, true, true], "a": 7.450830332479246, "b": 7.450830332479246, "c": 5.0101085051722025, "alpha": 90.0, "beta": 90... | null | 0.001267 | 0.001293 | null | [
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0.003236878178746787,
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0.023022281592613908,
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0.07398255434054903,
0.006607644355818551,
0.11736986131770201,
-0.0931... | null | 3 | null | null | 0.009975 | 0.00006 | other | null |
mp-27453 | Li7 Sb1 O6 | Li21 Sb3 O18 | R3 | 146 | null | 2026-02-24 19:12:45 | 1,064 | 1.859948 | 1.83022 | 1.833495 | 0.029728 | 0.003275 | 0.026453 | 0.029728 | -73.223526 | 0.0025 | 0.002213 | 0.002236 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.112040337426483, -2.7682657376625572, 0.0091450872443542], [5.112040370412584, 2.7682658002513203, 0.0091450474255315], [3.6048297937766884, -1.07241786e-08, 4.560870282778623]], "pbc": [true, true, true], "a": 5.8134... | null | 0.002316 | 0.0025 | null | [
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0.09746634450921754,
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-0.04328944525334939,
-0.019817320062145167,
0.13269773501724783,
-0.0418... | null | 5 | null | null | 0.032356 | 0.006168 | other | null |
mp-557632 | K4 Li2 B2 O6 | K8 Li4 B4 O12 | C2 | 5 | null | 2026-02-24 19:16:36 | 1,064 | 1.671258 | 1.653149 | 1.658313 | 0.018109 | 0.005164 | 0.012945 | 0.018109 | -79.93367 | 0.001316 | 0.00124 | 0.001236 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0501927320439286, 4.377128949176345, 0.0280475030931513], [-3.0501927320439286, 4.377128949176345, 0.0280475030931513], [0.0, 1.6353779840407838, 7.180902724287253]], "pbc": [true, true, true], "a": 5.335140129627429,... | null | 0.001264 | 0.001316 | null | [
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0.01561699024039129,
0.013431632303707619,
0.08321197660219817,
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0.04505374829911237,
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-0.06418242652163494,
0.07939183699889948,
-0.0... | null | 5 | null | null | 0.010323 | 0.003289 | other | null |
mp-7798 | Mg4 Ge4 N8 | Mg4 Ge4 N8 | Pna2_1 | 33 | null | 2026-02-24 19:53:56 | 1,064 | 2.359481 | 2.358145 | 2.325733 | 0.001336 | 0.032412 | 0.033748 | 0.033748 | -99.493487 | 0.007057 | 0.006912 | 0.005955 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.226461936998112, 0.0, 0.0], [0.0, 5.542135754940546, 0.0], [0.0, 0.0, 6.659992896156671]], "pbc": [true, true, true], "a": 5.226461936998112, "b": 5.542135754940546, "c": 6.659992896156671, "alpha": 90.0, "beta": 90.0... | null | 0.006641 | 0.007057 | null | [
0.02900124838630166,
0.06453260798778047,
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0.12092623513319924,
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0.12863659139054637,
-0.00681048... | null | 2 | null | null | 0.129693 | 0.038544 | other | null |
mp-554041 | Na4 Al4 B4 O14 | Na4 Al4 B4 O14 | P-31c | 163 | null | 2026-02-24 22:01:31 | 1,064 | 1.632238 | 1.632299 | 1.555057 | 0.000061 | 0.077243 | 0.077182 | 0.077243 | -183.581639 | 0.001195 | 0.001195 | 0.0009 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.4217430605798986, -4.1945589303745034, 8.335042866e-07], [2.4217430605798986, 4.1945589303745034, 8.335042866e-07], [5.0187757944e-06, 0.0, 15.323141353388504]], "pbc": [true, true, true], "a": 4.843466121678987, "b":... | null | 0.001097 | 0.001195 | null | [
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0.00127532865530881,
0.028261099267442656,
0.134706682391726,
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0.01917400255450376,
0.010943697265054304,
0.035428249164515986,
0.005000711494478665,
0.10704878489059702,
-0.068916062... | null | 3 | null | null | 0.049479 | 0.000885 | other | null |
mp-558491 | Ba2 Al2 B2 O6 F4 | Ba2 Al2 B2 O6 F4 | P-62c | 190 | null | 2026-02-24 20:15:05 | 1,064 | 1.71712 | 1.717149 | 1.675649 | 0.000029 | 0.0415 | 0.041471 | 0.0415 | -112.384935 | 0.001019 | 0.001019 | 0.000925 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9176813206235686, -2.6379730511e-06, -6.06235008e-08], [-2.4588429773262077, 4.25881583184774, -5.37422448e-08], [-1.165447114e-07, -1.880748899e-07, 9.493536710270007]], "pbc": [true, true, true], "a": 4.917681320624... | null | 0.000988 | 0.001019 | null | [
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0.004127864154692337,
0.030569900990676163,
-0.015774295896805894,
0.11725546825881371,
-0.0701... | null | 5 | null | null | 0.055093 | 0.007142 | other | null |
mp-11737 | Li8 Si2 O8 | Li8 Si2 O8 | P-1 | 2 | null | 2026-02-24 20:19:07 | 1,064 | 1.688876 | 1.690237 | 1.70003 | 0.001361 | 0.009793 | 0.011154 | 0.011154 | -108.468915 | 0.001125 | 0.001154 | 0.001176 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.988370502185006, 0.0028916188574247, -0.0006949434045113], [1.8460817127790061, 4.640695021201225, 0.0024158717470817], [2.4360767373068093, 0.0524527467234829, 7.0589745957008]], "pbc": [true, true, true], "a": 4.988... | null | 0.001152 | 0.001176 | null | [
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0.0044240924278465005,
0.11910525031470873,
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0.0015492791898014376,
-0.0022609251436006114,
0.042630891809192537,
0.13987383714259788,
... | null | 5 | null | null | 0.003737 | 0.004866 | other | null |
mp-6655 | Y4 Be4 Si2 O14 | Y4 Be4 Si2 O14 | P-42_1m | 113 | null | 2026-02-24 20:53:52 | 1,064 | 1.937422 | 1.937422 | 1.899869 | 0 | 0.037553 | 0.037553 | 0.037553 | -197.338252 | 0.001755 | 0.001755 | 0.001553 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.301614150526665, 0.0, 0.0], [0.0, 7.301614150526665, 0.0], [0.0, 0.0, 4.769002428840874]], "pbc": [true, true, true], "a": 7.301614150526665, "b": 7.301614150526665, "c": 4.769002428840874, "alpha": 90.0, "beta": 90.0... | null | 0.001688 | 0.001755 | null | [
-0.005409988736211963,
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0.002575543124438358,
0.16404263741244454,
0.05794213149556396,
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0.02136260241645788,
0.029361290092323997,
-0.009519557168520125,
0.07730801385335184,
-0.020820886778843653,
0.16336429761892624,
-0.062... | null | 3 | null | null | 0.020176 | -0.001198 | other | null |
mp-1020633 | Rb4 Mg4 B4 O12 | Rb4 Mg4 B4 O12 | P2_13 | 198 | null | 2026-02-24 21:32:47 | 1,064 | 1.653572 | 1.653572 | 1.653572 | 0 | 0 | 0 | 0 | -154.229428 | 0.001089 | 0.001089 | 0.001089 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.983684983206884, 0.0, 0.0], [0.0, 6.983684983206884, 0.0], [0.0, 0.0, 6.983684983206884]], "pbc": [true, true, true], "a": 6.983684983206884, "b": 6.983684983206884, "c": 6.983684983206884, "alpha": 90.0, "beta": 90.0... | null | 0.001089 | 0.001089 | null | [
-0.05366113813839807,
0.020573519315189085,
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0.14097336855759043,
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-0.01908995063289931,
-0.001379355764518593,
-0.05096703809312105,
0.10704792271719417,
... | null | 5 | null | null | -0.007767 | 0.001786 | other | null |
mp-561310 | Na3 Li3 C3 O9 | Na3 Li3 C3 O9 | P-62m | 189 | null | 2026-02-24 20:40:07 | 1,064 | 1.661085 | 1.661175 | 1.447204 | 0.00009 | 0.213971 | 0.21388 | 0.213971 | -114.84242 | 0.001475 | 0.001475 | 0.000518 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.150524752156158, -7.188882271195435, 0.0], [4.150524752156158, 7.188882271195435, 0.0], [0.0, 0.0, 3.3182114120134805]], "pbc": [true, true, true], "a": 8.30101704777005, "b": 8.30101704777005, "c": 3.3182114120134805... | null | 0.001156 | 0.001475 | null | [
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0.029974170521782934,
0.03013032605523071,
0.015283058469353857,
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0.0429726778633862,
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0.02915688582229495,
-0.004674480475857664,
-0.046446685945118166,
0.11046819809757318,
-0.... | null | 5 | null | null | 0.2037 | 0.002086 | other | null |
mp-6094 | Ca4 Mg2 Si4 O14 | Ca4 Mg2 Si4 O14 | P-42_1m | 113 | null | 2026-02-24 21:12:34 | 1,064 | 1.726326 | 1.726326 | 1.742097 | 0 | 0.015771 | 0.015771 | 0.015771 | -173.192392 | 0.00139 | 0.00139 | 0.001378 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.8649207717210485, 0.0, 0.0], [0.0, 7.8649207717210485, 0.0], [0.0, 0.0, 5.016673193698356]], "pbc": [true, true, true], "a": 7.8649207717210485, "b": 7.8649207717210485, "c": 5.016673193698356, "alpha": 90.0, "beta": ... | null | 0.001386 | 0.00139 | null | [
-0.049840129095140524,
0.002576888891512547,
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0.11451968786332238,
0.05714746961775441,
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0.04257954807780353,
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-0.019639686938009073,
0.056135062610941845,
0.001584164458709227,
0.10521275693111486,
-0.08... | null | 3 | null | null | 0.021164 | -0.002633 | other | null |
mp-6126 | Li3 Cd3 B3 O9 | Li3 Cd3 B3 O9 | P-6 | 174 | null | 2026-02-24 20:38:44 | 1,064 | 1.91956 | 1.919638 | 1.814857 | 0.000078 | 0.104782 | 0.104704 | 0.104782 | -108.019582 | 0.003438 | 0.003438 | 0.002121 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.191128658332747, -7.259048666810618, 0.0], [4.190887366820509, 7.25890936003356, 0.0], [0.0, 0.0, 3.279343882999745]], "pbc": [true, true, true], "a": 8.382084882523147, "b": 8.381843593062243, "c": 3.279343882999745,... | null | 0.002999 | 0.003438 | null | [
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0.018427626369353897,
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0.012203316818780266,
0.08480489494553664,
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0.007847019705786197,
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0.010629568159520457,
-0.03034343436299418,
-0.05765591111582878,
0.07582313723605513,
-0.... | null | 5 | null | null | 0.082427 | 0.007702 | other | null |
mp-557537 | Zn4 P6 N12 O1 | Zn8 P12 N24 O2 | I-43m | 217 | null | 2026-02-24 20:38:26 | 1,064 | 2.155739 | 2.155739 | 2.155739 | 0 | 0 | 0 | 0 | -154.04226 | 0.00341 | 0.00341 | 0.00341 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-4.030461228406213, 4.03037996056592, 4.03037996056592], [4.03037996056592, -4.030461228406213, 4.03037996056592], [4.03037996056592, 4.03037996056592, -4.030461228406213]], "pbc": [true, true, true], "a": 6.98086978583... | null | 0.00341 | 0.00341 | null | [
-0.0373302867827641,
0.057823335985693815,
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0.04963564602963053,
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0.05071147105825979,
-0.00022379298037214864,
0.03449287646198296,
0.06595635646991178,
0.1033709326635118,
-0.0715... | null | 2 | null | null | 0.13999 | 0.029648 | other | null |
mp-6015 | Li4 Si4 N4 O4 | Li4 Si4 N4 O4 | Pca2_1 | 29 | null | 2026-02-24 20:13:11 | 1,064 | 1.920912 | 1.892856 | 1.86223 | 0.028056 | 0.030625 | 0.058682 | 0.058682 | -112.28765 | 0.00177 | 0.001638 | 0.001477 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.761168977707003, 0.0, 0.0], [0.0, 5.1956877538271655, 0.0], [0.0, 0.0, 6.342662616204064]], "pbc": [true, true, true], "a": 4.761168977707003, "b": 5.1956877538271655, "c": 6.342662616204064, "alpha": 90.0, "beta": 90... | null | 0.001628 | 0.00177 | null | [
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0.1316632251953805,
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-0.011901156342479,
0.018997465525988258,
0.014150021575997224,
0.14431655086554251,
-0.0747753... | null | 2 | null | null | 0.111908 | 0.011497 | other | null |
mp-1191141 | Sr3 Li6 Si3 O12 | Sr3 Li6 Si3 O12 | P3_121 | 152 | null | 2026-02-24 21:38:30 | 1,064 | 1.762953 | 1.763038 | 1.77161 | 0.000085 | 0.008572 | 0.008657 | 0.008657 | -156.409052 | 0.001361 | 0.001361 | 0.001411 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.5147448828828622, -4.355665739079591, -9.8689036205e-06], [2.5147448828828622, 4.355665739079591, 9.8689036205e-06], [0.0, 2.825323091e-05, 12.468727620239859]], "pbc": [true, true, true], "a": 5.029489621887563, "b":... | null | 0.001378 | 0.001411 | null | [
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0.030629804114168047,
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-0.0020510264551937226,
0.013061297900121812,
-0.002088040412457852,
0.13496125852610466,
-... | null | 3 | null | null | 0.026724 | -0.004379 | other | null |
mp-6764 | Ba4 Si8 N8 O8 | Ba4 Si8 N8 O8 | Pbcn | 60 | null | 2026-02-24 21:36:45 | 1,064 | 2.02161 | 1.986078 | 1.987915 | 0.035532 | 0.001837 | 0.033695 | 0.035532 | -214.400698 | 0.002275 | 0.002115 | 0.002264 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.861003536111785, 0.0, 0.0], [0.0, 5.358743907905263, 0.0], [0.0, 0.0, 14.487083562672296]], "pbc": [true, true, true], "a": 4.861003536111785, "b": 5.358743907905263, "c": 14.487083562672296, "alpha": 90.0, "beta": 90... | null | 0.002218 | 0.002275 | null | [
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0.046292211505818505,
-0.01798332471559661,
0.11524019108914423,
-0.0897... | null | 2 | null | null | 0.064727 | 0.016762 | other | null |
mp-697670 | K2 Al2 Si6 O16 | K2 Al2 Si6 O16 | P-1 | 2 | null | 2026-02-24 22:16:42 | 1,064 | 1.582214 | 1.579842 | 1.583383 | 0.002372 | 0.003541 | 0.001169 | 0.003541 | -194.693857 | 0.000822 | 0.000823 | 0.000821 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.292253897325035, -0.0166531437908598, 0.0037186886567534], [-1.8108668122664404, 7.482869672241497, 0.0021007952328817], [-1.9823196509866017, -3.67218698327669, 6.809743880524684]], "pbc": [true, true, true], "a": 7.... | null | 0.000822 | 0.000823 | null | [
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0.031915594773392494,
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0.08287692490381832,
0.05245845013935486,
0.08065039403530691,
-0.14500060... | null | 3 | null | null | -0.00513 | -0.001229 | other | null |
mp-6564 | Sr4 Mg2 Si4 O14 | Sr4 Mg2 Si4 O14 | P-42_1m | 113 | null | 2026-02-24 21:17:12 | 1,064 | 1.719244 | 1.719244 | 1.737096 | 0 | 0.017851 | 0.017851 | 0.017851 | -172.604232 | 0.00128 | 0.00128 | 0.001324 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.053382989779747, 0.0, 0.0], [0.0, 8.053382989779747, 0.0], [0.0, 0.0, 5.192327461304086]], "pbc": [true, true, true], "a": 8.053382989779747, "b": 8.053382989779747, "c": 5.192327461304086, "alpha": 90.0, "beta": 90.0... | null | 0.001294 | 0.001324 | null | [
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0.05896488419986142,
0.0002942738205028254,
0.10198225604179756,
-0.08133... | null | 3 | null | null | 0.023977 | -0.001836 | other | null |
mp-768884 | Li8 B4 O10 | Li16 B8 O20 | C2/c | 15 | null | 2026-02-24 21:07:53 | 1,064 | 1.67003 | 1.696556 | 1.655114 | 0.026525 | 0.041442 | 0.014917 | 0.041442 | -141.704287 | 0.001078 | 0.001149 | 0.001057 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5082571191489573, 4.71730958769663, 0.0146923332779739], [-3.5082571191489573, 4.71730958769663, 0.0146923332779739], [0.0, 1.9271486169641823, 5.856505360967835]], "pbc": [true, true, true], "a": 5.878868396629665, "... | null | 0.001095 | 0.001149 | null | [
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0.023960404190734877,
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0.012094339698030077,
0.1413311676025877,
-0.066... | null | 5 | null | null | 0.066679 | 0.001926 | other | null |
mp-541040 | Y4 Be4 Ge2 O14 | Y4 Be4 Ge2 O14 | P-42_1m | 113 | null | 2026-02-24 21:38:32 | 1,064 | 1.995171 | 1.995171 | 1.957653 | 0 | 0.037518 | 0.037518 | 0.037518 | -187.814955 | 0.002331 | 0.002331 | 0.002069 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.437338931246022, 0.0, 0.0], [0.0, 7.437338931246022, 0.0], [0.0, 0.0, 4.8083101096679695]], "pbc": [true, true, true], "a": 7.437338931246022, "b": 7.437338931246022, "c": 4.8083101096679695, "alpha": 90.0, "beta": 90... | null | 0.002243 | 0.002331 | null | [
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0.056487011767702384,
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0.14761906430681368,
-0.0438... | null | 3 | null | null | 0.03479 | -0.003446 | other | null |
mp-1019537 | Ba2 Al2 Si8 N10 O6 | Ba4 Al4 Si16 N20 O12 | Cmc2_1 | 36 | null | 2026-02-24 22:07:50 | 1,064 | 2.019705 | 1.937113 | 1.955864 | 0.082593 | 0.018752 | 0.063841 | 0.082593 | -217.922939 | 0.002896 | 0.00222 | 0.00225 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.829633225566876, -6.881187266164013, 0.0], [2.829633225566876, 6.881187266164013, 0.0], [0.0, 0.0, 9.418926910953383]], "pbc": [true, true, true], "a": 7.440266284431611, "b": 7.440266284431611, "c": 9.418926910953383... | null | 0.002455 | 0.002896 | null | [
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0.16468231391551033,
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0.052652339518829465,
0.008506630165489021,
0.13204751047466576,
-0.10... | null | 2 | null | null | 0.073573 | 0.015371 | other | null |
mp-1191101 | K4 Mg4 B4 O12 | K4 Mg4 B4 O12 | P2_13 | 198 | null | 2026-02-24 21:53:10 | 1,064 | 1.620957 | 1.620957 | 1.620926 | 0 | 0.000031 | 0.000031 | 0.000031 | -155.179033 | 0.001049 | 0.001049 | 0.001049 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.861879781794026, 0.0, 0.0], [0.0, 6.861880995386409, 0.0], [0.0, 0.0, 6.86191825966139]], "pbc": [true, true, true], "a": 6.861879781794026, "b": 6.861880995386409, "c": 6.86191825966139, "alpha": 90.0, "beta": 90.0, ... | null | 0.001049 | 0.001049 | null | [
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0.01296707377661147,
0.13802815812836994,
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0.008111844380358373,
-0.035498778130127584,
0.10776575544041851,
-0.0... | null | 5 | null | null | 0.005561 | 0.005225 | other | null |
mp-1191240 | Sr4 Zn2 Si4 O14 | Sr4 Zn2 Si4 O14 | P-42_1m | 113 | null | 2026-02-24 20:30:10 | 1,064 | 1.75619 | 1.75619 | 1.764965 | 0 | 0.008776 | 0.008776 | 0.008776 | -166.395082 | 0.00148 | 0.00148 | 0.001473 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.05666689996373, 0.0, 0.0], [0.0, 8.05666689996373, 0.0], [0.0, 0.0, 5.198918497373208]], "pbc": [true, true, true], "a": 8.05666689996373, "b": 8.05666689996373, "c": 5.198918497373208, "alpha": 90.0, "beta": 90.0, "g... | null | 0.001478 | 0.00148 | null | [
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0.055667720664779895,
-0.019067247736669398,
0.08338131848037607,
-... | null | 3 | null | null | 0.02422 | -0.006633 | other | null |
mp-755346 | Li10 B2 O8 | Li10 B2 O8 | Pmmn | 59 | null | 2026-02-24 20:55:00 | 1,064 | 1.681904 | 1.682647 | 1.731589 | 0.000743 | 0.048942 | 0.049685 | 0.049685 | -113.937951 | 0.0011 | 0.00107 | 0.001357 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.501945268613667, 0.0, 0.0], [0.0, 5.871302739541958, 0.0], [0.0, 0.0, 5.979950666034919]], "pbc": [true, true, true], "a": 4.501945268613667, "b": 5.871302739541958, "c": 5.979950666034919, "alpha": 90.0, "beta": 90.0... | null | 0.001176 | 0.001357 | null | [
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0.012046428374637527,
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0.029187014424014772,
0.1533918974236672,
-0.055633... | null | 5 | null | null | 0.011341 | 0.005523 | other | null |
mp-2245 | Si12 N16 | Si12 N16 | P31c | 159 | null | 2026-02-24 21:28:37 | 1,064 | 2.118184 | 2.118161 | 2.098787 | 0.000024 | 0.019374 | 0.019398 | 0.019398 | -229.045955 | 0.002313 | 0.002313 | 0.002192 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.781430957621836, -9.56463371498e-05, -0.0002868838618415], [-3.8908048231222216, 6.738918263752653, 0.0023405264618629], [0.0002025915854521, -0.0018670956872941, 5.642892617468729]], "pbc": [true, true, true], "a": 7... | null | 0.002273 | 0.002313 | null | [
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0.11608831469796281,
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0.05690500961686621,
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0.15667385705574435,
-0.1... | null | 2 | null | null | 0.102869 | 0.013559 | other | null |
mp-1020712 | Zn4 Si4 N8 | Zn4 Si4 N8 | Pna2_1 | 33 | null | 2026-02-24 20:17:27 | 1,064 | 2.27715 | 2.316898 | 2.320585 | 0.039748 | 0.003687 | 0.043435 | 0.043435 | -105.243834 | 0.003645 | 0.003992 | 0.004008 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.251980062581614, 0.0, -1.174894534e-07], [0.0, 6.28098005657485, 0.0], [-1.141153273e-07, 0.0, 5.05300970702201]], "pbc": [true, true, true], "a": 5.251980062581616, "b": 6.28098005657485, "c": 5.053009707022012, "alp... | null | 0.003882 | 0.004008 | null | [
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0.11847847739903329,
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0.12004885417593075,
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0.0024253389144392856,
0.0010990134038792315,
0.024596706398159945,
-0.02707770271578827,
0.12438697351391423,
-0.... | null | 2 | null | null | 0.118179 | 0.020078 | other | null |
mp-8075 | Na2 Be8 Sb2 O14 | Na2 Be8 Sb2 O14 | P6_3mc | 186 | null | 2026-02-24 22:01:31 | 1,064 | 1.868904 | 1.868904 | 1.859947 | 0 | 0.008957 | 0.008957 | 0.008957 | -171.187277 | 0.001926 | 0.001926 | 0.001801 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7324191449512427, -4.732690835099472, 0.0], [2.7324191449512427, 4.732690835099472, 0.0], [0.0, 0.0, 8.906834269780122]], "pbc": [true, true, true], "a": 5.46484006392965, "b": 5.46484006392965, "c": 8.906834269780122... | null | 0.001885 | 0.001926 | null | [
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0.06068904151334502,
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0.054561407514407044,
-0.01989087067967704,
0.10453116014045773,
-0.052... | null | 5 | null | null | 0.014232 | 0.006639 | other | null |
mp-557414 | Ba1 Si6 N8 O1 | Ba2 Si12 N16 O2 | Imm2 | 44 | null | 2026-02-24 20:32:22 | 1,064 | 2.116296 | 2.097023 | 2.107418 | 0.019272 | 0.010394 | 0.008878 | 0.019272 | -127.41326 | 0.002693 | 0.002623 | 0.002966 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-2.4287163578408952, 4.077090686862239, 4.883302959304367], [2.4287093711766996, -4.077081557353893, 4.883291861441228], [2.428715835284977, 4.077081245169693, -4.8832953386053575]], "pbc": [true, true, true], "a": 6.80... | null | 0.002761 | 0.002966 | null | [
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0.061558154944859965,
0.008361702311793513,
0.14774664758198858,
-0.1063... | null | 2 | null | null | 0.081223 | 0.01645 | other | null |
mp-29598 | Na2 P8 N14 | Na4 P16 N28 | C2/c | 15 | null | 2026-02-24 21:03:54 | 1,064 | 2.14481 | 2.088446 | 2.122736 | 0.056364 | 0.03429 | 0.022074 | 0.056364 | -173.698546 | 0.003147 | 0.002657 | 0.002732 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.267959758532421, 6.161740481056353, 0.0051283061655972], [-4.267959758532421, 6.161740481056353, 0.0051283061655972], [0.0, 1.1131187374720835, 5.032862752015686]], "pbc": [true, true, true], "a": 7.495502155017022, "... | null | 0.002846 | 0.003147 | null | [
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0.05227561630323097,
0.09776166944967113,
0.11327739304877486,
-0.115765... | null | 2 | null | null | 0.132721 | 0.005479 | other | null |
mp-6606 | Sr2 Y2 Si8 N14 | Sr2 Y2 Si8 N14 | P6_3mc | 186 | null | 2026-02-24 21:03:23 | 1,064 | 2.323127 | 2.323041 | 2.326246 | 0.000086 | 0.003205 | 0.003119 | 0.003205 | -209.046657 | 0.004455 | 0.004455 | 0.00475 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.013003280019178, -5.21867451787107, 0.0], [3.013003280019178, 5.21867451787107, 0.0], [0.0, 0.0, 9.832170049050504]], "pbc": [true, true, true], "a": 6.026006346568444, "b": 6.026006346568444, "c": 9.832170049050504, ... | null | 0.004554 | 0.00475 | null | [
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0.04647879713362069,
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0.1870296890154952,
-0.... | null | 2 | null | null | 0.010839 | 0.019164 | other | null |
mp-768890 | Li8 B4 O10 | Li8 B4 O10 | P-1 | 2 | null | 2026-02-24 21:27:38 | 1,064 | 1.673769 | 1.642103 | 1.686209 | 0.031666 | 0.044107 | 0.012441 | 0.044107 | -141.120306 | 0.001046 | 0.000913 | 0.001097 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.854631857318892, 0.0265344767502261, -0.0238313211933511], [1.8401628866322186, 6.648351413719075, -0.0679696697141417], [2.3712189963674852, 2.8610128487265483, 5.850244145022683]], "pbc": [true, true, true], "a": 4.... | null | 0.001019 | 0.001097 | null | [
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0.010704095321548306,
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0.02521891500573846,
0.14220281097724907,
-0.063296... | null | 5 | null | null | 0.033899 | 0.003563 | other | null |
mp-6227 | Ca4 Zn2 Si4 O14 | Ca4 Zn2 Si4 O14 | P-42_1m | 113 | null | 2026-02-24 20:49:01 | 1,064 | 1.762669 | 1.762669 | 1.775726 | 0 | 0.013057 | 0.013057 | 0.013057 | -166.959557 | 0.00156 | 0.00156 | 0.001549 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.865953720924592, 0.0, 0.0], [0.0, 7.865953720924592, 0.0], [0.0, 0.0, 5.024864810023961]], "pbc": [true, true, true], "a": 7.865953720924592, "b": 7.865953720924592, "c": 5.024864810023961, "alpha": 90.0, "beta": 90.0... | null | 0.001556 | 0.00156 | null | [
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0.053223531231344025,
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0.08812059545253141,
-0... | null | 3 | null | null | 0.019158 | -0.007139 | other | null |
mp-559691 | Ca4 Al4 Si2 O14 | Ca4 Al4 Si2 O14 | P-42_1m | 113 | null | 2026-02-24 20:29:52 | 1,064 | 1.764852 | 1.764852 | 1.757982 | 0 | 0.00687 | 0.00687 | 0.00687 | -175.810557 | 0.001558 | 0.001558 | 0.001422 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.644415699205485, 0.0, 0.0], [0.0, 7.644415699205485, 0.0], [0.0, 0.0, 5.158310020455801]], "pbc": [true, true, true], "a": 7.644415699205485, "b": 7.644415699205485, "c": 5.158310020455801, "alpha": 90.0, "beta": 90.0... | null | 0.001513 | 0.001558 | null | [
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0.00010129507397102615,
0.12326328438411403,
-... | null | 3 | null | null | 0.01776 | -0.005552 | other | null |
mp-1057015 | Pb1 S1 | Pb4 S4 | Fm-3m | 225 | null | 2026-02-24 22:52:15 | 1,064 | 4.367657 | 4.367539 | 4.368169 | 0.000119 | 0.00063 | 0.000512 | 0.00063 | -8.805263 | 0.133527 | 0.133393 | 0.134164 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-3.715792617750669, -4.47476668e-08, 1.9803014116707491], [-2.3855882854691957, 3.46953597656288, 2.483266728e-07], [-3.573278260356473, 0.0979904849588632, -2.2285563295334145]], "pbc": [true, true, true], "a": 4.21054... | null | 0.133695 | 0.134164 | null | [
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0.1210842376476491,
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0.11515339018071397,
0.02... | null | 6 | null | null | 0.05158 | -0.01192 | other | null |
mp-27275 | Li12 B4 O12 | Li12 B4 O12 | P2_1/c | 14 | null | 2026-02-24 23:04:12 | 1,064 | 1.677558 | 1.622683 | 1.703996 | 0.054875 | 0.081312 | 0.026438 | 0.081312 | -172.600591 | 0.001103 | 0.000955 | 0.001203 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[9.147641231834088, 0.0, 0.0], [0.0, 3.2181700376526745, -0.007560242555102], [0.0, 1.577900159008111, 8.137662546551534]], "pbc": [true, true, true], "a": 9.147641231834088, "b": 3.2181789180393476, "c": 8.2892291941618... | null | 0.001087 | 0.001203 | null | [
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0.038401099962117505,
0.10811610353837345,
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0.016935589450595073,
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0.03323982258868252,
0.14274554923284613,
-... | null | 5 | null | null | 0.081026 | 0.004233 | other | null |
mp-938 | Ge1 Te1 | Ge3 Te3 | R3m | 160 | null | 2026-02-24 23:29:45 | 1,064 | 6.770687 | 6.868047 | 6.386879 | 0.09736 | 0.481168 | 0.383808 | 0.481168 | -7.841325 | 1.178898 | 1.02848 | 1.869497 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7359374486032983, 0.0249261983942146, 2.34405431890273], [1.308920238831536, 3.4992257213302853, 2.344054317811595], [0.0356812655039233, 0.0249260169970579, 4.410277660193479]], "pbc": [true, true, true], "a": 4.4104... | null | 1.358958 | 1.869497 | null | [
0.018410902790497046,
0.05135586427380717,
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0.08643730733229535,
0.15175417178738185,
0.00822224710284502,
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0.10970974164673776,
-0.02750810154696709,
0.12342185468554759,
-0.08706973158956265,
0.05593469176435536,
0.0958011... | null | 1 | null | null | 0.82725 | 1.445522 | other | null |
mp-772753 | Li6 Zn2 P2 C2 O14 | Li6 Zn2 P2 C2 O14 | P2_1 | 4 | null | 2026-02-24 22:54:27 | 1,064 | 1.647544 | 1.734157 | 1.733725 | 0.086613 | 0.000433 | 0.086181 | 0.086613 | -164.217855 | 0.001062 | 0.001355 | 0.001355 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.432091996433466, 0.0, 0.0], [0.0, 5.035679854078644, -0.0018619401425739], [0.0, 0.2506694314908333, 8.336721466402718]], "pbc": [true, true, true], "a": 6.432091996433466, "b": 5.035680198304357, "c": 8.3404891926231... | null | 0.001258 | 0.001355 | null | [
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0.02701901798704428,
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0.009006663527993723,
0.058449424579999174,
0.02440866806449173,
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0.02414326597448199,
-0.022069930640125936,
0.002578398932964095,
0.0020590482824739695,
-0.034242181876831,
0.09777588001364174,
-0.075... | null | 5 | null | null | 0.070595 | 0.002604 | other | null |
mp-1227290 | Bi1 Sb1 | Bi3 Sb3 | R3m | 160 | null | 2026-02-24 23:12:41 | 1,064 | 8.156695 | 7.712581 | 8.3531 | 0.444114 | 0.640519 | 0.196406 | 0.640519 | -8.028008 | 5.495504 | 5.261436 | 3.976542 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-2.2383806105190476, -3.8759129310480076, 0.0008285970332827], [2.2383806105190476, -3.8759129310480076, 0.0008285970332827], [2.2383806105190476, 1.2911106763429498, 3.829925288733747]], "pbc": [true, true, true], "a":... | null | 4.911161 | 5.495504 | null | [
0.08505475140336641,
0.0529112078157009,
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0.03712888592262109,
0.29161849250473226,
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0.20799231831311268,
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0.056108721376805025,
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0.042298252639156354,
0.03163484... | null | 1 | null | null | 0.691983 | 4.473311 | other | null |
mp-9478 | Ba2 Si8 O18 | Ba2 Si8 O18 | P-6c2 | 188 | null | 2026-02-24 23:04:39 | 1,064 | 1.739138 | 1.739081 | 1.72244 | 0.000058 | 0.01664 | 0.016698 | 0.016698 | -215.920734 | 0.001092 | 0.001093 | 0.001045 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2772715181777605, -5.676405318874512, 0.0], [3.2772715181777605, 5.676405318874512, 0.0], [0.0, 0.0, 9.440877900890307]], "pbc": [true, true, true], "a": 6.554546967411707, "b": 6.554546967411707, "c": 9.4408779008903... | null | 0.001077 | 0.001093 | null | [
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0.001970786061841571,
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0.1281423611729456,
0.11020272796433599,
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0.05907184141389233,
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0.0007189606372069773,
0.09321039069023826,
0.013395575100490295,
0.08868733370223206,
-0.17387... | null | 3 | null | null | 0.013122 | 0.001869 | other | null |
mp-1216530 | Tl1 Pb1 | Tl3 Pb3 | R-3m | 166 | null | 2026-02-24 23:32:34 | 1,064 | 6.381813 | 6.381813 | 6.482961 | 0 | 0.101148 | 0.101148 | 0.101148 | -5.794053 | 4.283461 | 4.283461 | 4.403111 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-2.4679833692795947, -2.4679833692795947, 0.0], [0.0087877488243601, 2.459195620455235, -2.456741368429348], [2.483868295761927, -2.483868295761927, -4.947097829236352]], "pbc": [true, true, true], "a": 3.49025555254644... | null | 4.323345 | 4.403111 | null | [
-0.08265709406478573,
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0.004195226972273529,
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0.0017060911326261738,
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0.045516835122810614,
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0.00876547902543378,
-0.17166545120283921,
0.04461844453390759,
-0.0... | null | 6 | null | null | 1.451752 | 2.53006 | other | null |
mp-6434 | Rb4 Al4 Si4 O16 | Rb4 Al4 Si4 O16 | Pna2_1 | 33 | null | 2026-02-24 23:45:56 | 1,064 | 1.605242 | 1.611645 | 1.604463 | 0.006404 | 0.007183 | 0.000779 | 0.007183 | -197.803688 | 0.000934 | 0.000962 | 0.000935 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.359031580707128, 0.0, 0.0], [0.0, 8.865351439135468, 0.0], [0.0, 0.0, 9.276898176884025]], "pbc": [true, true, true], "a": 5.359031580707128, "b": 8.865351439135468, "c": 9.276898176884025, "alpha": 90.0, "beta": 90.0... | null | 0.000944 | 0.000962 | null | [
-0.05488413400861817,
0.035055781929243614,
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0.16648304748389958,
0.05040298378343998,
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0.0162730486097163,
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-0.030952892895034924,
0.054579053132745484,
0.019395453984603624,
0.08947365195178392,
-0.119... | null | 3 | null | null | 0.004363 | -0.004203 | other | null |
mp-721988 | Na2 Al2 Si6 O16 | Na2 Al2 Si6 O16 | P-1 | 2 | null | 2026-02-24 22:52:38 | 1,064 | 1.597154 | 1.593926 | 1.592891 | 0.003228 | 0.001036 | 0.004263 | 0.004263 | -194.450815 | 0.000845 | 0.000847 | 0.000848 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6867672481512925, 6.405316838571086, -2.3008023710658327], [-3.5828383356187694, 6.411864665621955, 1.364929286204823], [0.0006625965700488, -0.022110506064211, 7.206314100818193]], "pbc": [true, true, true], "a": 7.7... | null | 0.000847 | 0.000848 | null | [
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0.031181091777036617,
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0.13759722325019713,
0.09208252681170241,
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0.06203738816941474,
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-0.028104356060104658,
0.08324425574922309,
0.05903680478087874,
0.08183774652982725,
-0.14362... | null | 3 | null | null | -0.007094 | 0.003975 | other | null |
mp-772750 | Li6 Mg2 P2 C2 O14 | Li6 Mg2 P2 C2 O14 | P2_1 | 4 | null | 2026-02-24 22:45:09 | 1,064 | 1.587671 | 1.693517 | 1.689557 | 0.105846 | 0.003961 | 0.101885 | 0.105846 | -170.976364 | 0.000756 | 0.001181 | 0.001154 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.391032883323467, 0.0, 0.0], [0.0, 5.002435735540997, 0.0120347620062358], [0.0, 0.3286249621700024, 8.27674342133866]], "pbc": [true, true, true], "a": 6.391032883323467, "b": 5.002450212017521, "c": 8.283264816992997... | null | 0.00103 | 0.001181 | null | [
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0.036992731856475884,
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0.023584466780472005,
0.07815507968966608,
0.01150731375728542,
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0.027688477767466805,
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-0.017129794381475175,
0.006459664376776652,
-0.014211817477356895,
0.12290493634573854,
-0... | null | 5 | null | null | 0.050927 | 0.001304 | other | null |
mp-1225654 | Cu1 Cl1 | Cu4 Cl4 | F-43m | 216 | null | 2026-02-24 23:10:33 | 1,064 | 2.307268 | 2.31904 | 2.317514 | 0.011772 | 0.001526 | 0.010246 | 0.011772 | -6.329133 | 0.069173 | 0.073112 | 0.072599 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2675678339601073, -1.8953032098227132, 0.0153898643619437], [3.2675678339601073, 1.8953032098227132, 0.0153898643619437], [2.153680055128383, 0.0, 3.103395204290658]], "pbc": [true, true, true], "a": 3.777487346718729... | null | 0.071628 | 0.073112 | null | [
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0.17405457869025123,
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0.05002950343842551,
0.0834715094345262,
0.028924254580638686,
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0.11515434490529566,
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0.0012927286340614769,
0.13045868923023154,
-0.01524... | null | 6 | null | null | -0.072779 | 0.139529 | other | null |
mp-557027 | Rb4 Be4 Si4 O14 | Rb4 Be4 Si4 O14 | Pnn2 | 34 | null | 2026-02-24 22:42:36 | 1,064 | 1.617127 | 1.610125 | 1.616416 | 0.007003 | 0.006292 | 0.000711 | 0.007003 | -177.535179 | 0.000928 | 0.000963 | 0.000928 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1924885621082, 0.0, 0.0], [0.0, 8.350329542824621, 0.0], [0.0, 0.0, 8.988175504438873]], "pbc": [true, true, true], "a": 5.1924885621082, "b": 8.350329542824621, "c": 8.988175504438873, "alpha": 90.0, "beta": 90.0, "g... | null | 0.000939 | 0.000963 | null | [
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0.020749781299037835,
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0.05479638809727713,
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0.005591883981921245,
-0.007374190960942128,
0.05954786729307907,
0.00989607472304569,
0.08129995283211464,
-0.13... | null | 3 | null | null | 0.005389 | -0.003313 | other | null |
mp-1219457 | Sb1 As1 | Sb3 As3 | R3m | 160 | null | 2026-02-24 22:51:16 | 1,064 | 7.327112 | 7.088756 | 6.939846 | 0.238356 | 0.14891 | 0.387266 | 0.387266 | -8.836621 | 4.667159 | 3.174675 | 1.623689 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-2.052175856820249, -3.5321652370522796, -0.003588451944743], [4.104350997879616, -1.849131693e-07, -3.132924899e-07], [-2.329956284e-07, -2.3509970164465717, 3.5696175763097826]], "pbc": [true, true, true], "a": 4.0850... | null | 3.155174 | 4.667159 | null | [
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0.2259236263309762,
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0.07845956902114624,
0.21238986224640954,
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0.002925264291151995,
0.11538345353835483,
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0.13254518023752973,
-0.12482256696459583,
0.09879889461156491,
0.068553754... | null | 6 | null | null | 0.279877 | 2.907 | other | null |
mp-1219908 | Pd1 Pt1 | Pd3 Pt3 | R-3m | 166 | null | 2026-02-24 23:45:42 | 1,064 | 3.038959 | 3.400366 | 3.038959 | 0.361407 | 0.361407 | 0 | 0.361407 | -11.378529 | 5.326413 | 4.78719 | 5.326413 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-1.9465762203244137, -1.9413840877353852, -0.0004374910291973], [-0.0004374910291973, 1.9413840877353852, -1.9465762203244137], [1.9585998734649053, -3.8951757583124085, -1.9585998734649053]], "pbc": [true, true, true],... | null | 5.146672 | 5.326413 | null | [
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0.03865682649055078,
0.11308016074565636,
0.08764548945094662,
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0.008986893527081243,
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0.009575816928201794,
-0.07566506269213129,
-0.09889363790978616,
0.15873434... | null | 6 | null | null | 0.334518 | 4.811471 | other | null |
mp-18502 | Ba2 Si6 Sn2 O18 | Ba2 Si6 Sn2 O18 | P-6c2 | 188 | null | 2026-02-24 23:31:16 | 1,064 | 1.741867 | 1.741867 | 1.715838 | 0 | 0.026029 | 0.026029 | 0.026029 | -207.430504 | 0.001435 | 0.001435 | 0.001311 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.40157214647078, -5.8917021152333575, 0.0], [3.40157214647078, 5.8917021152333575, 0.0], [0.0, 0.0, 9.954006835281795]], "pbc": [true, true, true], "a": 6.803149776558727, "b": 6.803149776558727, "c": 9.954006835281795... | null | 0.001394 | 0.001435 | null | [
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0.11694629756615145,
0.08036258257146343,
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-0.013279488485027826,
0.06577222669634662,
-0.009032440720323347,
0.06856897907692547,
-0.134... | null | 3 | null | null | 0.010226 | -0.005153 | other | null |
mp-1194160 | Ba2 Hf2 Si6 O18 | Ba2 Hf2 Si6 O18 | P-6c2 | 188 | null | 2026-02-24 23:17:17 | 1,064 | 1.751571 | 1.751543 | 1.749029 | 0.000029 | 0.002514 | 0.002542 | 0.002542 | -231.459683 | 0.001399 | 0.001399 | 0.001458 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4016012625138035, -5.89182791436257, 0.0], [3.4016012625138035, 5.89182791436257, 0.0], [0.0, 0.0, 10.06954410127266]], "pbc": [true, true, true], "a": 6.8032732799438165, "b": 6.8032732799438165, "c": 10.069544101272... | null | 0.001418 | 0.001458 | null | [
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0.07459527656447762,
0.03875780699536111,
0.10013142587394064,
-0.1144323... | null | 3 | null | null | 0.014768 | -0.011619 | other | null |
mp-556544 | Li4 Al4 Si4 O16 | Li4 Al4 Si4 O16 | Pc | 7 | null | 2026-02-25 01:06:01 | 1,064 | 1.636429 | 1.629018 | 1.629295 | 0.007411 | 0.000276 | 0.007135 | 0.007411 | -201.761352 | 0.000947 | 0.000921 | 0.000951 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.123281007158125, 0.0, 0.0], [0.0, 8.100299231509931, 0.0083784155011295], [0.0, 2.291189098560445, 7.846944656983976]], "pbc": [true, true, true], "a": 5.123281007158125, "b": 8.10030356454909, "c": 8.174600169741124,... | null | 0.00094 | 0.000951 | null | [
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0.05884403445661849,
0.057192017484553666,
0.10640661687617595,
-0.08449... | null | 3 | null | null | 0.004118 | 0.003147 | other | null |
mp-7173 | Sc1 Sb1 Pt1 | Sc4 Sb4 Pt4 | F-43m | 216 | null | 2026-02-25 05:30:50 | 1,064 | 4.876784 | 4.876784 | 4.876784 | 0 | 0 | 0 | 0 | -19.911218 | 0.419785 | 0.419785 | 0.419785 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8586933471625677, -2.253245157e-07, 2.2278177028194373], [1.286230572151047, 3.6380108114417458, 2.2278177028194373], [0.0, 0.0, 4.4556354056388745]], "pbc": [true, true, true], "a": 4.455635315466514, "b": 4.45563502... | null | 0.419785 | 0.419785 | null | [
0.13795099686551715,
0.0969460013205179,
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0.03710573529818007,
0.12945097182242252,
0.030292931221346988,
0.014315140355361522,
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0.0555185680920726,
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0.033582982431610085,
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0.13063277124809836,
0.0573301102... | null | 6 | null | null | 1.037028 | 0.469498 | other | null |
mp-1186915 | Re1 Tc1 | Re1 Tc1 | P-6m2 | 187 | null | 2026-02-25 02:36:15 | 1,064 | 4.725211 | 4.725239 | 4.60706 | 0.000028 | 0.118179 | 0.118151 | 0.118179 | -22.787186 | 2.74611 | 2.746158 | 3.863017 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7374171787189847, -1.2380254764e-06, -3.366990674e-07], [-1.3687103329980097, 2.3706701272176156, 8.423267544e-07], [3.3674863315e-06, -3.3123536698e-06, 4.40399773817574]], "pbc": [true, true, true], "a": 2.737417178... | null | 3.118428 | 3.863017 | null | [
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0.27432368745665264,
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0.21051902936879913,
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0.4986781064553074,
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-0.006226670944373534,
-0.059970914... | null | 6 | null | null | 0.130676 | 2.151888 | other | null |
mp-1018151 | Nb1 Pd2 | Nb2 Pd4 | Immm | 71 | null | 2026-02-25 06:46:20 | 1,064 | 6.082963 | 5.138011 | 4.999178 | 0.944952 | 0.138833 | 1.083785 | 1.083785 | -21.899378 | 3.547638 | 1.377372 | 3.227581 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-2.807745068762782, -0.0006469470234396, 0.0032792874157743], [0.0045530037474628, 0.0001314351048164, -3.9077323158462183], [1.4006326768959099, -4.18230436679328, 1.9523649934507543]], "pbc": [true, true, true], "a": ... | null | 2.71753 | 3.547638 | null | [
0.03541889423198288,
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0.1333796035567554,
0.05754134589086732,
0.07133959945514053,
0.02159184329695475,
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0.19697715642858102,
0.02148768340503643,
0.19136872938275384,
-0.013732970225291921,
-0.087908213733582,
0.03929283197... | null | 6 | null | null | 1.001369 | 2.571727 | other | null |
mp-1018028 | Ti1 S1 | Ti1 S1 | P-6m2 | 187 | null | 2026-02-25 01:20:01 | 1,064 | 4.139399 | 4.138818 | 5.271294 | 0.00058 | 1.132476 | 1.131895 | 1.132476 | -14.794867 | 2.348856 | 2.349004 | 1.910299 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2334776516257917, 8.216674475e-07, 0.0], [-1.616739621704121, 2.800358042207105, 0.0], [0.0, 0.0, 3.199728854266831]], "pbc": [true, true, true], "a": 3.233477651625896, "b": 3.2335510153609754, "c": 3.199728854266831... | null | 2.20272 | 2.349004 | null | [
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0.07345668206712233,
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0.15833274179475354,
0.21306583935171525,
0.03989894014848225,
0.0034883392280677245,
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0.009622294132134307,
0.0011895270948724737,
0.09212567792286241,
-0.1598408177646619,
0.1991941140641808,
0.0226686... | null | 6 | null | null | 0.406192 | 1.948755 | other | null |
mp-1184509 | Gd1 Te1 | Gd1 Te1 | P-6m2 | 187 | null | 2026-02-25 02:13:04 | 1,064 | 3.722488 | 3.721427 | 3.964395 | 0.001062 | 0.242968 | 0.241907 | 0.242968 | -20.004647 | 0.457731 | 0.458494 | 0.441959 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.0580229897813616, -3.5642921375151375, 0.0], [2.0580229897813616, 3.5642921375151375, 0.0], [0.0, 0.0, 4.076028848015757]], "pbc": [true, true, true], "a": 4.1157790353736, "b": 4.1157790353736, "c": 4.076028848015757... | null | 0.452728 | 0.458494 | null | [
0.042712379573225226,
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0.1405911708168358,
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0.10949609713508872,
0.020413531792480514,
0.03969049339967494,
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0.04213891953796674,
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0.09641981900891047,
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0.16034001407682583,
0.0794192675... | null | 6 | null | null | 0.171931 | 0.390483 | other | null |
mp-3240889 | Th1 H1 N1 | Th4 H4 N4 | F-43m | 216 | null | 2026-02-25 00:41:38 | 1,064 | 2.911406 | 2.911406 | 2.911406 | 0 | 0 | 0 | 0 | -23.017852 | 0.013636 | 0.013636 | 0.013636 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.40588674873166, -1.746290221e-07, 1.9663895617322937], [1.1352962372572433, 3.2111002327181826, 1.9663887137367395], [8.091969598e-07, -4.646949489e-07, 3.932778713784217]], "pbc": [true, true, true], "a": 3.932779227... | null | 0.013636 | 0.013636 | null | [
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0.11252279459206259,
0.03655431227277636,
0.22532925089390413,
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0.0023461085885439735,
0.1729126679162438,
-0.024... | null | 6 | null | null | 0.100351 | 1.213637 | other | null |
mp-3329134 | Er1 H1 O1 | Er4 H4 O4 | F-43m | 216 | null | 2026-02-25 01:15:40 | 1,064 | 1.931805 | 1.838257 | 1.821861 | 0.093548 | 0.016395 | 0.109944 | 0.109944 | -22.267932 | 0.747643 | 0.727728 | 0.830168 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.193064267735162, 0.0028740831000955, 1.8482666324206396], [1.063456552396931, 3.0146318377506924, 1.8545262362474797], [0.0003829593680725, 0.0079375620795461, 3.6958693121664594]], "pbc": [true, true, true], "a": 3.6... | null | 0.768513 | 0.830168 | null | [
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0.03726024684752581,
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0.23944074965780962,
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0.21293287527311108,
-0.015... | null | 6 | null | null | 0.10279 | 0.135914 | other | null |
mp-570213 | Li1 Mg1 Bi1 | Li4 Mg4 Bi4 | F-43m | 216 | null | 2026-02-25 04:51:55 | 1,064 | 3.771948 | 3.771948 | 3.771961 | 0 | 0.000013 | 0.000013 | 0.000013 | -8.499388 | 0.234507 | 0.234507 | 0.234507 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.131443590920468, 1.061299448e-07, 2.3852899073083553], [1.3771479887284148, 3.895162533715515, 2.3852898578499127], [2.265236993e-07, 9.96645386e-08, 4.7705804264798495]], "pbc": [true, true, true], "a": 4.77058005769... | null | 0.234507 | 0.234507 | null | [
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0.07506102250917669,
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0.07007130359142057,
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0.10830531776127728,
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0.008273279140755202,
-0.13969942916312983,
0.02963070638122177,
-0.0099... | null | 6 | null | null | 0.089687 | 0.465165 | other | null |
mp-1061861 | Ti1 Pd2 | Ti2 Pd4 | Immm | 71 | null | 2026-02-25 07:35:20 | 1,064 | 4.66711 | 5.538414 | 3.916035 | 0.871304 | 1.622379 | 0.751075 | 1.622379 | -19.92707 | 3.033762 | 1.958756 | 2.274341 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[0.0004480119102058, -2.7657464106007, -0.0044953662392453], [-3.7967441818486773, -0.0033907729579251, 0.0004805930304352], [1.8980124821903461, 1.3805236606464075, -4.160775724871704]], "pbc": [true, true, true], "a": ... | null | 2.422286 | 3.033762 | null | [
0.03003713216072516,
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0.09875651668751899,
0.09556837384460397,
0.05274952372579344,
0.056706928230546995,
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0.09636400157048204,
0.06352863292784579,
0.1630358788631997,
0.013253820161238175,
-0.03678210001202012,
-0.02950187... | null | 6 | null | null | 0.576639 | 2.34867 | other | null |
mp-4174 | Ho1 Ni1 Sb1 | Ho4 Ni4 Sb4 | F-43m | 216 | null | 2026-02-25 01:57:56 | 1,064 | 4.373151 | 4.410464 | 4.464451 | 0.037313 | 0.053987 | 0.0913 | 0.0913 | -20.904168 | 1.10912 | 1.054844 | 1.113295 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.851362576073053, 0.0005064031604561, 2.2281080843243646], [1.2853338721870387, 3.6354659546092587, 2.226258421007228], [0.0039177887719281, 0.0005049285900451, 4.449429328899078]], "pbc": [true, true, true], "a": 4.44... | null | 1.09242 | 1.113295 | null | [
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0.05430381194697026,
0.067183572703486,
0.12330116188057698,
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0.018234156958860215,
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0.1462292282164316,
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-0.027904090168814885,
-0.19757208623790776,
0.03498567370224745,
0.0886885386... | null | 6 | null | null | 0.028535 | 0.239617 | other | null |
mp-604453 | Ce1 Bi1 Pd1 | Ce4 Bi4 Pd4 | F-43m | 216 | null | 2026-02-25 05:09:04 | 1,064 | 4.728289 | 4.728289 | 4.728289 | 0 | 0 | 0 | 0 | -17.479917 | 1.974541 | 1.974541 | 1.974541 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[0.0, 3.3888003359265406, 3.3888003359265406], [3.3888003359265406, 0.0, 3.3888003359265406], [3.3888003359265406, 3.3888003359265406, 0.0]], "pbc": [true, true, true], "a": 4.792487395241814, "b": 4.792487395241814, "c"... | null | 1.974541 | 1.974541 | null | [
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0.12348151108843403,
0.05384865389830207,
0.1482907991962217,
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0.1589899416136813,
0.00007812791552313143,
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-0.12820588482332204,
0.023419643443804764,
0.02... | null | 6 | null | null | 0.189995 | 1.474727 | other | null |
mp-568398 | Ca1 Bi1 Au1 | Ca4 Bi4 Au4 | F-43m | 216 | null | 2026-02-25 04:33:00 | 1,064 | 2.689682 | 2.689682 | 2.689682 | 0 | 0 | 0 | 0 | -11.170277 | 3.831643 | 3.831643 | 3.831643 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.210990156389889, 9.896729105e-07, 2.4312162948521374], [1.4036647846971864, 3.970159935684425, 2.4312172164827217], [1.3708355316e-06, 2.1039953682e-06, 4.862431212953097]], "pbc": [true, true, true], "a": 4.862432597... | null | 3.831643 | 3.831643 | null | [
0.03740066536454977,
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0.13493692515357536,
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0.10423411242853876,
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0.13256328554876864,
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-0.20415993391887224,
0.06452113810803442,
0.05310... | null | 6 | null | null | 0.057119 | 3.176901 | other | null |
mp-1018129 | Pt2 W1 | Pt4 W2 | Immm | 71 | null | 2026-02-25 06:46:21 | 1,064 | 4.82544 | 6.720615 | 6.000827 | 1.895175 | 0.719788 | 1.175387 | 1.895175 | -26.162194 | 2.524692 | 2.404676 | 2.798039 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-2.7509049980804363, -0.000643784067687, 0.0002304674665751], [0.000329399405181, 0.0006791550649189, -3.9329631105027616], [-1.3762520916226928, -4.125107605505087, -1.9656573021580424]], "pbc": [true, true, true], "a"... | null | 2.575802 | 2.798039 | null | [
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0.2475953344885352,
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0.04004984503693402,
0.2202254244092748,
0.06267441313911709,
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0.12811558580254678,
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0.13209077889492316,
-0.017172926623988144,
0.13157401280326284,
0.272911081959... | null | 6 | null | null | 1.637613 | 1.813431 | other | null |
mp-1192933 | Cs4 Al4 Si4 O16 | Cs4 Al4 Si4 O16 | Pna2_1 | 33 | null | 2026-02-25 00:36:30 | 1,064 | 1.651757 | 1.659217 | 1.654963 | 0.00746 | 0.004254 | 0.003206 | 0.00746 | -197.666756 | 0.001029 | 0.001055 | 0.001057 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.4778965997317455, 0.0, 0.0], [0.0, 9.00795275373957, 0.0], [0.0, 0.0, 9.49315463386408]], "pbc": [true, true, true], "a": 5.4778965997317455, "b": 9.00795275373957, "c": 9.49315463386408, "alpha": 90.0, "beta": 90.0, ... | null | 0.001047 | 0.001057 | null | [
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0.16840332422374665,
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0.0277384089990945,
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0.04509312158051776,
0.03728212461925516,
0.05861535731016023,
-0.13370... | null | 3 | null | null | 0.00936 | -0.00486 | other | null |
mp-11807 | Li1 Pt1 | Li1 Pt1 | P-6m2 | 187 | null | 2026-02-25 01:27:32 | 1,064 | 1.001906 | 1.001899 | 3.422209 | 0.000007 | 2.42031 | 2.420303 | 2.42031 | -9.20759 | 6.997215 | 6.997164 | 0.053036 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7228290590403903, 5.266902648e-07, 0.0], [-1.3614155733819064, 2.3580385362980234, 0.0], [0.0, 0.0, 4.111542214818694]], "pbc": [true, true, true], "a": 2.7228290590404414, "b": 2.7228290622279814, "c": 4.111542214818... | null | 4.682472 | 6.997215 | null | [
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0.012039094083680688,
0.0021487815261353113,
0.00635949517967184,
0.007060883187995394,
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0.054212465478380496,
0.006977887206706307,
0.017593818497766672,
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0.07596946751060837,
0.0559... | null | 6 | null | null | 2.239847 | 4.558324 | other | null |
mp-1185504 | Lu1 Te1 | Lu1 Te1 | P-6m2 | 187 | null | 2026-02-25 02:18:50 | 1,064 | 3.909251 | 3.909277 | 4.071446 | 0.000026 | 0.162169 | 0.162195 | 0.162195 | -9.842154 | 0.144017 | 0.144029 | 0.140601 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.988881531387704, 1.6797953292e-06, 3.8871677777e-06], [-1.9944274442884231, 3.4545516055028798, -5.9178943674e-06], [7.871840283e-07, -3.1319797463e-06, 3.95711649053098]], "pbc": [true, true, true], "a": 3.9888815313... | null | 0.142883 | 0.144029 | null | [
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0.06109997489306323,
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0.11359314331239001,
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0.0994952772024454,
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0.052725329953024994,
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0.11293467230556414,
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0.17425663646361803,
0.035185... | null | 6 | null | null | 0.021385 | 0.805966 | other | null |
mp-620271 | Gd1 Bi1 Pt1 | Gd4 Bi4 Pt4 | F-43m | 216 | null | 2026-02-25 05:11:49 | 1,064 | 4.65165 | 4.65165 | 4.65165 | 0 | 0 | 0 | 0 | -27.080841 | 2.230391 | 2.230391 | 2.230391 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[0.0, 3.354116834435142, 3.354116834435142], [3.354116834435142, 0.0, 3.354116834435142], [3.354116834435142, 3.354116834435142, 0.0]], "pbc": [true, true, true], "a": 4.743437517042091, "b": 4.743437517042091, "c": 4.74... | null | 2.230391 | 2.230391 | null | [
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0.07804182597594762,
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0.018577222786558507,
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0.08508445375498212,
0.0489860... | null | 6 | null | null | 0.030632 | 2.027675 | other | null |
mp-1183222 | Ag1 Pd1 | Ag1 Pd1 | P-6m2 | 187 | null | 2026-02-25 01:49:58 | 1,064 | 4.212731 | 4.21274 | 5.552109 | 0.000008 | 1.339369 | 1.339378 | 1.339378 | -8.024732 | 2.66764 | 2.667635 | 0.637974 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[1.3925924237022387, -2.412042127909174, 0.0], [1.3925924237022387, 2.412042127909174, 0.0], [0.0, 0.0, 4.657823571993122]], "pbc": [true, true, true], "a": 2.7851859696188135, "b": 2.7851859696188135, "c": 4.65782357199... | null | 1.991083 | 2.66764 | null | [
0.026834028844217865,
0.009178983389505752,
0.05788137726794837,
0.09355465121738724,
0.09145959591316116,
-0.006872949693724522,
0.013523169042009817,
-0.18418340803257954,
0.15782526322101711,
-0.024084891533607586,
-0.0028911430524635982,
-0.06828841379326252,
-0.017164637463156218,
0.0... | null | 6 | null | null | 1.142847 | 1.608984 | other | null |
mp-4964 | Y1 Sb1 Pt1 | Y4 Sb4 Pt4 | F-43m | 216 | null | 2026-02-25 02:29:00 | 1,064 | 5.589268 | 5.589272 | 5.589268 | 0.000004 | 0.000004 | 0 | 0.000004 | -20.294592 | 2.701615 | 2.701622 | 2.701615 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.006492485080475, 9.9382e-12, 2.3131495364573116], [1.3354974917238476, 3.777358640602624, 2.3131495364573116], [-3.83991e-11, -2.71516e-11, 4.626299063044092]], "pbc": [true, true, true], "a": 4.626299040379793, "b": ... | null | 2.701617 | 2.701622 | null | [
0.09016765929769094,
0.022634258943884225,
0.002071469998427671,
-0.002175974269383462,
0.103253055246414,
0.07763508257343542,
0.0202408673677457,
-0.07878566298300595,
0.07879027522940375,
-0.06943745256250584,
0.028843813881568925,
-0.15375069371661046,
0.10204611437356376,
0.0621181938... | null | 6 | null | null | 0.106446 | 1.167137 | other | null |
mp-3522 | Mg1 Cu1 Sb1 | Mg4 Cu4 Sb4 | F-43m | 216 | null | 2026-02-25 01:28:03 | 1,064 | 7.329439 | 7.329432 | 7.32944 | 0.000007 | 0.000008 | 0.000001 | 0.000008 | -10.151042 | 1.361973 | 1.361975 | 1.36198 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7721991257413756, 1.001096003e-07, 2.177880090319472], [1.2573998020009158, 3.5564629333593314, 2.1778800903194706], [-2.18882e-11, -1.54783e-11, 4.355760170714697]], "pbc": [true, true, true], "a": 4.355760316185219,... | null | 1.361976 | 1.36198 | null | [
-0.04486730365590174,
0.03137446500003773,
-0.04439098119323607,
0.015933696137063025,
0.08200288384951483,
-0.03149725853831271,
-0.013380663832925828,
-0.04224681904471999,
0.08671491175745381,
-0.11133399538411522,
-0.0027783749879611943,
-0.09130532270306292,
0.08583466180745387,
-0.01... | null | 6 | null | null | -0.044258 | 0.167508 | other | null |
mp-1229092 | Ag1 Au1 | Ag3 Au3 | R-3m | 166 | null | 2026-02-25 00:53:11 | 1,064 | 1.255647 | 1.255647 | 1.255647 | 0 | 0 | 0 | 0 | -6.030853 | 1.254691 | 1.254691 | 1.254691 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-2.0341338042141386, -2.0341338042141386, 0.0], [0.0, 2.0341338042141386, -2.0341338042141386], [2.0621624859266237, -2.0621624859266237, -4.096296290140762]], "pbc": [true, true, true], "a": 2.876699613601213, "b": 2.8... | null | 1.254691 | 1.254691 | null | [
0.028108255528034174,
0.029375351056110992,
0.12308093277544302,
0.04488278499429426,
0.088396458295256,
-0.10344155002050368,
-0.05818400840944413,
-0.28095447415130936,
0.1680288373727888,
-0.022501004090506857,
0.03451439717538686,
-0.09303984404366733,
0.14208318409649967,
0.0504141349... | null | 6 | null | null | 0.399336 | 0.939074 | other | null |
mp-505297 | Nb1 Sb1 Ru1 | Nb4 Sb4 Ru4 | F-43m | 216 | null | 2026-02-25 02:51:32 | 1,064 | 5.522622 | 5.522622 | 5.522622 | 0 | 0 | 0 | 0 | -24.798771 | 0.18398 | 0.18398 | 0.18398 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.757523173533947, 7.323938591e-07, 2.1694045072098502], [1.2525069879573238, 3.542626203455992, 2.1694058376511896], [-4.015947654e-07, 1.3430952181e-06, 4.338811709968591]], "pbc": [true, true, true], "a": 4.338812777... | null | 0.18398 | 0.18398 | null | [
0.14867308269942406,
0.02285323954989558,
-0.030600989639489706,
-0.005173474180897651,
0.23516126512060587,
0.17946856038369483,
0.050862591234270234,
-0.09872692538107501,
0.2268064066919472,
-0.11793550123816161,
0.24786321756145746,
-0.027035757060402604,
0.08798506873868246,
0.1073594... | null | 6 | null | null | 0.11432 | 0.403131 | other | null |
mp-3328470 | Gd1 H1 O1 | Gd4 H4 O4 | F-43m | 216 | null | 2026-02-25 00:48:47 | 1,064 | 2.358547 | 2.358547 | 2.358547 | 0 | 0 | 0 | 0 | -29.11563 | 0.006614 | 0.006614 | 0.006614 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2793790845589137, -4.57105985e-07, 1.8933498739581396], [1.093125601032771, 3.09182159820367, 1.8933498739581396], [0.0, 0.0, 3.78669974791628]], "pbc": [true, true, true], "a": 3.7867005328465004, "b": 3.786694880759... | null | 0.006614 | 0.006614 | null | [
-0.07132042758074353,
-0.2126053027584054,
0.10232466088341362,
-0.10057638481970933,
0.21615684417493605,
0.01056828407723732,
-0.07595794605795318,
0.033686251195488646,
-0.15081767779660857,
0.019895744449275943,
-0.04808669355452239,
-0.10893536211482026,
0.2013867663450701,
-0.0260608... | null | 6 | null | null | 0.032344 | 0.146935 | other | null |
mp-1219920 | Pd1 Au1 | Pd3 Au3 | R-3m | 166 | null | 2026-02-25 00:27:51 | 1,064 | 2.800559 | 4.329728 | 4.279346 | 1.529169 | 0.050382 | 1.478787 | 1.529169 | -8.514051 | 4.642966 | 3.835172 | 3.853194 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.610904154461039, -1.4213197617694489, -0.005895322105181], [4.610904154461039, 1.4213197617694489, -0.005895322105181], [4.1758778952280275, 0.0, 2.4171612137818794]], "pbc": [true, true, true], "a": 4.824999662346637... | null | 4.110444 | 4.642966 | null | [
0.06573875020991529,
0.026850145603547954,
0.07285102294854427,
0.08492500734476496,
0.12284436209456423,
-0.06280602550105663,
-0.021403075643377706,
-0.2279059786282948,
0.1822627424355367,
0.029991777504810295,
0.073273141050783,
-0.04245879065011118,
0.0604881565083283,
0.0817078192168... | null | 6 | null | null | 1.227386 | 3.076747 | other | null |
mp-3328572 | Lu1 H1 O1 | Lu4 H4 O4 | F-43m | 216 | null | 2026-02-25 00:56:00 | 1,064 | 2.308879 | 2.308879 | 2.308879 | 0 | 0 | 0 | 0 | -19.533787 | 0.004894 | 0.004894 | 0.004894 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1595761070468034, 1.4782745309e-06, 1.8241849602362745], [1.0531932016312218, 2.9788771195911563, 1.8241853538512613], [1.5069181936e-06, 1.5481898878e-06, 3.6483663082269127]], "pbc": [true, true, true], "a": 3.64836... | null | 0.004894 | 0.004894 | null | [
-0.11311488716608925,
-0.14521186441101744,
0.059283905819904344,
-0.052365484387069165,
0.22851052356699406,
-0.01093899933998535,
-0.04244966169815088,
0.05056956819422243,
-0.15011801309746822,
-0.010583646072667032,
-0.049192029027184996,
-0.053950148118572704,
0.23505767518843176,
-0.... | null | 6 | null | null | 0.100057 | 0.162686 | other | null |
mp-5640 | Er1 Sn1 Au1 | Er4 Sn4 Au4 | F-43m | 216 | null | 2026-02-25 04:07:35 | 1,064 | 5.089556 | 5.106283 | 5.096841 | 0.016727 | 0.009443 | 0.007285 | 0.016727 | -17.048861 | 1.562779 | 1.510208 | 1.523051 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.090563917014771, 0.0010792163802917, 2.3644328323911226], [1.3628183964641307, 3.8629789289059646, 2.3672855729869147], [0.0003727961492567, 0.0037574858679813, 4.728092436462147]], "pbc": [true, true, true], "a": 4.7... | null | 1.532013 | 1.562779 | null | [
-0.03286044532268415,
0.025426716870472554,
0.10700421324476374,
-0.028575932149150468,
0.07982454320256939,
-0.05558530787596736,
0.03438169112374736,
-0.1365870222663239,
0.1459189788083412,
0.031429980601201876,
0.02504797079540493,
-0.12454034180496255,
0.06598879243276234,
0.072816588... | null | 6 | null | null | 0.064929 | 1.210622 | other | null |
mp-6481 | Na4 Zn2 Si6 O16 | Na4 Zn2 Si6 O16 | P2_1 | 4 | null | 2026-02-25 00:30:40 | 1,064 | 1.64332 | 1.644111 | 1.641798 | 0.000791 | 0.002313 | 0.001522 | 0.002313 | -187.672071 | 0.001247 | 0.001247 | 0.001188 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.63213254291443, 0.0, 0.0], [0.0, 6.415900941944308, 0.0342620857097833], [0.0, 1.6078264151925612, 6.464691045971327]], "pbc": [true, true, true], "a": 8.63213254291443, "b": 6.415992424197448, "c": 6.661631639564951,... | null | 0.001227 | 0.001247 | null | [
-0.0664238815964095,
0.017544964488590394,
-0.01650608374783328,
-0.024827505317450455,
0.10563684869879407,
0.0872412894700525,
-0.06596577592419442,
0.04355363508667744,
-0.04600636049254338,
-0.003073900341830941,
0.06463643996312829,
0.014743082650673688,
0.07157197810890807,
-0.139774... | null | 3 | null | null | 0.005547 | -0.004362 | other | null |
mp-36526 | Ac1 O1 F1 | Ac4 O4 F4 | F-43m | 216 | null | 2026-02-25 01:31:53 | 1,064 | 1.922239 | 1.922187 | 1.922239 | 0.000052 | 0.000052 | 0 | 0.000052 | -22.180193 | 0.002003 | 0.002003 | 0.002003 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.20548482, 0.0, 0.0], [2.10274241, 3.64205594, 0.0], [2.10274241, 1.21401865, 3.43376439]], "pbc": [true, true, true], "a": 4.20548482, "b": 4.20548417104403, "c": 4.20548508633576, "alpha": 60.00000375107555, "beta": ... | null | 0.002003 | 0.002003 | null | [
0.03790040067352277,
-0.03995519770945053,
0.024765704246537498,
-0.1666664505812384,
0.22680357650974833,
-0.07184917686582748,
-0.17525901701522498,
-0.009025577216267872,
-0.019755712169375533,
-0.12423732437283193,
-0.013379854911130964,
0.042817146432165935,
0.27013828349960556,
-0.03... | null | 6 | null | null | 0.012979 | -0.0292 | other | null |
mp-1206819 | Zn1 Ir1 | Zn1 Ir1 | P-6m2 | 187 | null | 2026-02-25 02:55:01 | 1,064 | 4.147514 | 4.147514 | 6.819216 | 0 | 2.671702 | 2.671702 | 2.671702 | -10.240545 | 0.545688 | 0.545688 | 0.907142 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-1.3811922375537395, -2.3922975003814595, 0.0], [-1.3811922375537395, 2.3922975003814595, 0.0], [0.0, 0.0, -4.139808488539794]], "pbc": [true, true, true], "a": 2.7623865275174806, "b": 2.7623865275174806, "c": 4.139808... | null | 0.666173 | 0.907142 | null | [
0.1280795515208712,
0.2381692860865443,
0.09626253048766328,
-0.10736541694850801,
0.08635930666404433,
-0.000403522532660747,
0.06557449919059735,
-0.2697351221223113,
0.16091486751517917,
0.0308939998337426,
-0.018547455235283682,
0.02052192496067265,
0.02161062056599254,
-0.012095125934... | null | 6 | null | null | 2.360995 | 0.426136 | other | null |
mp-1206743 | Hf1 S1 | Hf1 S1 | P-6m2 | 187 | null | 2026-02-25 02:51:36 | 1,064 | 4.758133 | 4.758107 | 1.520555 | 0.000026 | 3.237552 | 3.237578 | 3.237578 | -17.113064 | 2.701616 | 2.701663 | 1.790695 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[-1.6865899112242897, -2.921260420172665, 0.0], [-1.6865899112242897, 2.921260420172665, 0.0], [0.0, 0.0, -3.416873564459359]], "pbc": [true, true, true], "a": 3.373180690551713, "b": 3.373180690551713, "c": 3.4168735644... | null | 2.397991 | 2.701663 | null | [
0.02095205967086882,
0.04456940372401327,
0.17282047970352046,
0.08872381317479318,
0.3391240116485185,
-0.03508882431896468,
-0.1106051882127427,
-0.13463111125986277,
0.01695347751359716,
-0.09933580998643553,
-0.008356211172051237,
-0.21490028941039668,
0.4450824971353944,
0.09114486445... | null | 6 | null | null | 2.708138 | 2.158555 | other | null |
mp-3432 | Sc1 Ni1 Sb1 | Sc4 Ni4 Sb4 | F-43m | 216 | null | 2026-02-25 01:13:13 | 1,064 | 5.257351 | 5.257351 | 5.257351 | 0 | 0 | 0 | 0 | -18.511541 | 0.311516 | 0.311516 | 0.311516 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7000342682112626, -7.769513112e-07, 2.136215690590869], [1.2333443360928102, 3.488425872233581, 2.136215144083738], [9.896501859e-07, 2.98942794e-08, 4.272430681134527]], "pbc": [true, true, true], "a": 4.272431516439... | null | 0.311516 | 0.311516 | null | [
0.07561332026765429,
0.03469923237970072,
0.007776491471683263,
0.08020761891542809,
0.12695087772941804,
0.0014721661343064473,
-0.016244284517386406,
-0.10249782532353473,
0.09411362891923565,
-0.1055738735373295,
-0.013217323558425855,
-0.1809849895377993,
0.05893126053866529,
0.0639182... | null | 6 | null | null | 0.028281 | 0.112813 | other | null |
mp-5177 | Lu1 Sn1 Au1 | Lu4 Sn4 Au4 | F-43m | 216 | null | 2026-02-25 03:03:44 | 1,064 | 7.350727 | 7.350728 | 7.350719 | 0.000001 | 0.000009 | 0.000008 | 0.000009 | -13.891526 | 1.343459 | 1.343466 | 1.343454 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.030884964252267, 2.946703658e-07, 2.3272349742524505], [1.3436289105754335, 3.8003543825760326, 2.327234426710679], [1.0726697561e-06, 8.98253812e-08, 4.6544670694373895]], "pbc": [true, true, true], "a": 4.6544662659... | null | 1.343459 | 1.343466 | null | [
-0.0362255616329637,
-0.034965305336237144,
0.12469795134302497,
-0.043883690340696495,
0.06618403104203245,
-0.03800676217665648,
0.05351378349669703,
-0.12028755510809079,
0.11203184314187715,
0.051729716399805004,
0.004766571497238602,
-0.14661707504466,
0.08320776548712212,
0.032832958... | null | 6 | null | null | 0.016784 | 1.102848 | other | null |
mp-561457 | Cs4 Al4 Si4 O16 | Cs4 Al4 Si4 O16 | Pnma | 62 | null | 2026-02-25 00:53:08 | 1,064 | 1.649758 | 1.657649 | 1.654902 | 0.007891 | 0.002747 | 0.005144 | 0.007891 | -197.654231 | 0.00103 | 0.001086 | 0.001057 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.4934037603704375, 0.0, 0.0], [0.0, 8.943129974022447, 0.0], [0.0, 0.0, 9.559037073762969]], "pbc": [true, true, true], "a": 5.4934037603704375, "b": 8.943129974022447, "c": 9.559037073762969, "alpha": 90.0, "beta": 90... | null | 0.001058 | 0.001086 | null | [
-0.057075606209028386,
0.01650205023642137,
-0.02297211584086201,
-0.08765980366561751,
0.16843973925667652,
0.051335425694671415,
-0.107901369632909,
0.027759805864390277,
-0.04109015351962967,
-0.035303708385611546,
0.044855236310373685,
0.0373006688996163,
0.05819064190613178,
-0.134305... | null | 3 | null | null | 0.009063 | -0.004832 | other | null |
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