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cd-251030-c511f6de86e046a899747c64343ae591 | Cs1 Rb3 P2 O6 F2 | Cs1 Rb3 P2 O6 F2 | P-3m1 | 164 | null | 2025-11-19 14:48:41 | 1,064 | 1.574675 | 1.574516 | 1.549387 | 0.000159 | 0.025129 | 0.025288 | 0.025288 | -81.360796 | 0.000889 | 0.000889 | 0.000807 | -81.651215 | 0.006144 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.310817375443053, 0.0, 0.0173408599408856], [-3.165764000748092, 5.4588512540097645, -0.0047430711315154], [0.0, 0.0, 8.3109121]], "pbc": [true, true, true], "a": 6.3108412, "b": 6.310399449999999, "c": 8.3109121, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.310817375443053,0.0,0.01734085994088559],[-3.165764000748092,5.4588512540097645,-0.0047430711315153504],[0.0,0.0,8.3109121]],"pbc":[true,true,true],"a":6.3108412,"b":6.310399449999999,"c":8.3109121,"alpha":90.0430651,"beta":8... | 0.000862 | 0.000889 | [
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cd-251112-7eb7e54d1523446db919b8d417b079f4 | Tl2 N2 O5 | Tl2 N2 O5 | Pm | 6 | 0.005255 | 2025-11-19 15:39:27 | 1,064 | 1.687428 | 2.013543 | 1.887949 | 0.326115 | 0.125595 | 0.20052 | 0.326115 | -50.63002 | 0.003822 | 0.007549 | 0.007045 | -50.77002 | 0.02655 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.653218501924915, 0.0, 0.705083307040632], [-0.0083712022934985, 5.740926197165928, -0.0028542904171128], [0.0, 0.0, 6.923334]], "pbc": [true, true, true], "a": 4.70633455, "b": 5.74093301, "c": 6.923334, "alpha": 90.0... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.653218501924915,0.0,0.705083307040632],[-0.008371202293498513,5.740926197165928,-0.0028542904171128354],[0.0,0.0,6.923334]],"pbc":[true,true,true],"a":4.70633455,"b":5.74093301,"c":6.923334,"alpha":90.02848645,"beta":81.38374... | 0.006139 | 0.007549 | [
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cd-251112-29eebecdb69642c69169c62eff0d5ba5 | Cs1 Na1 Hg1 Te2 | Cs2 Na2 Hg2 Te4 | I-4m2 | 119 | -0.000591 | 2025-11-19 16:23:30 | 1,064 | 3.364396 | 3.359176 | 2.983932 | 0.005221 | 0.375244 | 0.380465 | 0.380465 | -12.295441 | 0.530437 | 0.534194 | 0.528062 | -12.39326 | 0.001854 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.741393781890707, 0.0, -1.4087094737207522], [-0.4184688047950239, 4.716284539301813, -1.409395900318411], [0.0, 0.0, 8.64309243]], "pbc": [true, true, true], "a": 4.94623871, "b": 4.9401268, "c": 8.64309243, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.741393781890707,0.0,-1.4087094737207522],[-0.41846880479502385,4.716284539301813,-1.409395900318411],[0.0,0.0,8.64309243]],"pbc":[true,true,true],"a":4.94623871,"b":4.9401268,"c":8.64309243,"alpha":106.5765123,"beta":106.5471... | 0.530897 | 0.534194 | [
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cd-251023-8c3619ee5ef74107ba8cfbb736afb52e | Tl4 Sb2 P2 Se10 | Tl4 Sb2 P2 Se10 | P2_1 | 4 | 0.001299 | 2025-11-19 15:34:55 | 1,064 | 3.313471 | 2.895125 | 2.938166 | 0.418346 | 0.043042 | 0.375304 | 0.418346 | -67.849633 | 0.063936 | 0.035318 | 0.043837 | -68.158806 | 0.077013 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.755507677719342, 0.0, -0.2733632391718806], [-0.0196574584080491, 6.793648831556247, 0.0372332503531411], [0.0, 0.0, 13.27228159]], "pbc": [true, true, true], "a": 6.76103627, "b": 6.7937793, "c": 13.27228159, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.755507677719342,0.0,-0.2733632391718806],[-0.01965745840804907,6.793648831556247,0.037233250353141074],[0.0,0.0,13.27228159]],"pbc":[true,true,true],"a":6.76103627,"b":6.7937793,"c":13.27228159,"alpha":89.68598939,"beta":92.3... | 0.047697 | 0.063936 | [
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0.00... | 1 | 1 | 0.199403 | 0.143282 | 0.196745 | 0.160249 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251109-dac2f24d6288477c9e4af9c5f91e3316 | Au2 I4 O12 | Au2 I4 O12 | P1 | 1 | 0.000834 | 2025-11-19 15:40:33 | 1,064 | 1.977148 | 1.969358 | 2.564491 | 0.00779 | 0.595133 | 0.587343 | 0.595133 | -75.29884 | 0.277875 | 0.326756 | 0.084929 | -75.481247 | 0.121314 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.820467160887729, 0.0, 0.0020159348070294], [-0.0241050446780142, 6.323587624125353, 0.0629817054197909], [0.0, 0.0, 8.78777336]], "pbc": [true, true, true], "a": 5.82046751, "b": 6.3239472, "c": 8.78777336, "alpha": 8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.820467160887729,0.0,0.0020159348070293505],[-0.02410504467801421,6.323587624125353,0.0629817054197909],[0.0,0.0,8.78777336]],"pbc":[true,true,true],"a":5.82046751,"b":6.3239472,"c":8.78777336,"alpha":89.42936817,"beta":89.980... | 0.229853 | 0.326756 | [
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cd-251112-30733990f7e145c2ba55851d10c77caf | Cs3 Ga1 Te3 | Cs3 Ga1 Te3 | P-62m | 189 | 0.001837 | 2025-11-19 16:24:02 | 1,064 | 2.006279 | 2.395853 | 2.399023 | 0.389574 | 0.00317 | 0.392744 | 0.392744 | -21.228651 | 0.007477 | 0.017676 | 0.017674 | -21.294226 | 0.01883 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.930413414967572, 0.0, 0.0004968303867242], [-0.000201483304764, 7.951633224900457, -4.594558720243481], [0.0, 0.0, 9.20511002]], "pbc": [true, true, true], "a": 4.93041344, "b": 9.18359629, "c": 9.20511002, "alpha": 1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.930413414967572,0.0,0.0004968303867241564],[-0.0002014833047640464,7.951633224900457,-4.594558720243481],[0.0,0.0,9.20511002]],"pbc":[true,true,true],"a":4.93041344,"b":9.18359629,"c":9.20511002,"alpha":120.01988943,"beta":89... | 0.014276 | 0.017676 | [
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cd-251027-94dc7fa6a9bf47939ba3ea98560b1eec | Cs6 N12 | Cs6 N12 | Immm | 71 | -0.001072 | 2025-11-19 15:16:27 | 1,064 | 1.872825 | 1.76761 | 2.298445 | 0.105214 | 0.530835 | 0.42562 | 0.530835 | -106.243369 | 1.23279 | 0.474284 | 0.50532 | -107.978683 | 0.008735 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.843096901158448, 0.0, -0.0004272036017123], [-0.0001891751541435, 8.158326143511822, 0.0038199344805645], [0.0, 0.0, 12.59333894]], "pbc": [true, true, true], "a": 4.84309692, "b": 8.15832704, "c": 12.59333894, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.843096901158448,0.0,-0.00042720360171227817],[-0.00018917515414352778,8.158326143511822,0.003819934480564505],[0.0,0.0,12.59333894]],"pbc":[true,true,true],"a":4.84309692,"b":8.15832704,"c":12.59333894,"alpha":89.97317267,"be... | 0.737465 | 1.23279 | [
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cd-251112-b6eabeffb1bc4ee694031b77d8c2edb6 | Cs6 B2 As4 | Cs6 B2 As4 | P4/mbm | 127 | 0.000125 | 2025-11-19 16:18:45 | 1,064 | 2.176998 | 2.648361 | 2.659078 | 0.471363 | 0.010717 | 0.48208 | 0.48208 | -41.112763 | 0.034956 | 0.343099 | 0.341171 | -41.259346 | 0.004996 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.460955417465848, 0.0, 0.0075741492768013], [0.0041946448730944, 9.580173209627002, 0.0117144255304587], [0.0, 0.0, 9.65028215]], "pbc": [true, true, true], "a": 5.46096067, "b": 9.580181289999999, "c": 9.65028215, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.460955417465848,0.0,0.007574149276801314],[0.004194644873094378,9.580173209627002,0.011714425530458707],[0.0,0.0,9.65028215]],"pbc":[true,true,true],"a":5.46096067,"b":9.580181289999999,"c":9.65028215,"alpha":89.92994002,"bet... | 0.239742 | 0.343099 | [
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cd-251103-b94fe9b4a85c48fca5ff8cec2e266ea5 | Na2 B4 O6 F2 | Na2 B4 O6 F2 | P321 | 150 | 0.001927 | 2025-11-19 15:36:31 | 1,064 | 1.596152 | 1.595995 | 1.513209 | 0.000157 | 0.082787 | 0.082943 | 0.082943 | -97.859474 | 0.000846 | 0.000846 | 0.000595 | -97.787941 | 0.017491 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4465205916866575, 0.0, -0.0077410686258148], [-2.2243580141258725, 3.8505073247026225, 0.0040199211175151], [0.0, 0.0, 8.45493559]], "pbc": [true, true, true], "a": 4.44652733, "b": 4.4468181200000005, "c": 8.45493559... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4465205916866575,0.0,-0.007741068625814767],[-2.2243580141258725,3.8505073247026225,0.004019921117515149],[0.0,0.0,8.45493559]],"pbc":[true,true,true],"a":4.44652733,"b":4.4468181200000005,"c":8.45493559,"alpha":89.9482046400... | 0.000762 | 0.000846 | [
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-0.122837381780... | 4 | 4 | 0.059364 | -0.001083 | 0.059243 | -0.001098 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251112-efd166f788ab48c0b92685ccaa5bf16f | K1 Rb3 Ge4 Sb4 | K1 Rb3 Ge4 Sb4 | Pm | 6 | -0.003439 | 2025-11-19 16:27:01 | 1,064 | 3.533461 | 2.760796 | 2.37382 | 0.772665 | 0.386976 | 1.159642 | 1.159642 | -40.940038 | 1.238446 | 0.998897 | 0.906598 | -42.529854 | 0.070889 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.188824549800668, 0.0, -0.0015858640380809], [-0.0019821996764649, 8.412666565757371, 0.0315793149099318], [0.0, 0.0, 12.1092326]], "pbc": [true, true, true], "a": 4.18882485, "b": 8.412726070000001, "c": 12.1092326, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.188824549800668,0.0,-0.0015858640380808598],[-0.0019821996764648572,8.412666565757371,0.031579314909931835],[0.0,0.0,12.1092326]],"pbc":[true,true,true],"a":4.18882485,"b":8.412726070000001,"c":12.1092326,"alpha":89.78492516,... | 1.04798 | 1.238446 | [
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cd-251023-7b68e0d0bab743ee9589812081e1fc2b | K2 Cd2 As2 | K2 Cd2 As2 | P4/nmm | 129 | 0.000015 | 2025-11-19 15:39:39 | 1,064 | 3.696271 | 3.698331 | 3.286401 | 0.002059 | 0.41193 | 0.409871 | 0.41193 | -15.490738 | 1.427628 | 1.426481 | 0.168908 | -15.874261 | 0.004706 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.647089703994909, 0.0, -0.0018443744510763], [-0.0058582062958811, 4.647641895174287, 0.0072423311350365], [0.0, 0.0, 7.97157402]], "pbc": [true, true, true], "a": 4.64709007, "b": 4.64765123, "c": 7.97157402, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.647089703994909,0.0,-0.0018443744510762573],[-0.005858206295881058,4.647641895174287,0.007242331135036472],[0.0,0.0,7.97157402]],"pbc":[true,true,true],"a":4.64709007,"b":4.64765123,"c":7.97157402,"alpha":89.91071723,"beta":9... | 1.007673 | 1.427628 | [
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cd-251109-2897ff1ad4934457925c52200f2e0c3c | Na5 I3 O10 | Na5 I3 O10 | P1 | 1 | 0.001305 | 2025-11-19 15:19:51 | 1,064 | 1.943072 | 2.033849 | 1.959294 | 0.090777 | 0.074555 | 0.016222 | 0.090777 | -79.362436 | 0.005481 | 0.006588 | 0.005869 | -79.139633 | 0.026731 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.058122352248799, 0.0, -0.0018672075512407], [-0.4098823794949115, 6.231191213985542, 0.6065574778132874], [0.0, 0.0, 8.09415065]], "pbc": [true, true, true], "a": 6.058122639999999, "b": 6.2740465, "c": 8.09415065, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.058122352248799,0.0,-0.001867207551240726],[-0.40988237949491146,6.231191213985542,0.6065574778132874],[0.0,0.0,8.09415065]],"pbc":[true,true,true],"a":6.058122639999999,"b":6.2740465,"c":8.09415065,"alpha":84.45213720000001,... | 0.00598 | 0.006588 | [
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cd-251109-6dc72e4b7a1744edbc0035ee4c98d7e5 | Rb10 F9 | Rb10 F9 | P-1 | 2 | -0.000109 | 2025-11-19 15:22:56 | 1,064 | 1.477066 | 1.955557 | 2.16411 | 0.478492 | 0.208553 | 0.687044 | 0.687044 | -72.997609 | 0.004807 | 0.093298 | 0.261863 | -74.514793 | 0.024247 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.112844981100927, 0.0, 0.0059810295409146], [-2.02987678676855, 8.734381636590697, -1.7722145904007778], [0.0, 0.0, 13.67317808]], "pbc": [true, true, true], "a": 4.11284933, "b": 9.14059992, "c": 13.67317808, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.112844981100927,0.0,0.005981029540914579],[-2.02987678676855,8.734381636590697,-1.7722145904007778],[0.0,0.0,13.67317808]],"pbc":[true,true,true],"a":4.11284933,"b":9.14059992,"c":13.67317808,"alpha":101.17952787,"beta":89.91... | 0.119989 | 0.261863 | [
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cd-251113-4129ae34f0444904b8a121f2abdab1cc | Cs1 Rb1 Sb12 | Cs1 Rb1 Sb12 | P2/m | 10 | -0.000584 | 2025-11-19 16:14:34 | 1,064 | 5.029389 | 4.27481 | 3.648172 | 0.754579 | 0.626638 | 1.381217 | 1.381217 | -52.691666 | 2.032205 | 1.271495 | 0.519767 | -53.208931 | 0.021144 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.423394437040168, 0.0, -0.0001618178346973], [-0.0004277887083597, 12.382768741330016, 1.4622559976850011], [0.0, 0.0, 9.48860106]], "pbc": [true, true, true], "a": 4.42339444, "b": 12.46880726, "c": 9.48860106, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.423394437040168,0.0,-0.00016181783469731005],[-0.00042778870835972837,12.382768741330016,1.4622559976850011],[0.0,0.0,9.48860106]],"pbc":[true,true,true],"a":4.42339444,"b":12.46880726,"c":9.48860106,"alpha":83.26524712,"beta... | 1.274489 | 2.032205 | [
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cd-251030-dab43191a3ed4ba59dba1cd3e0182cb2 | Rb4 N2 O5 | Rb4 N2 O5 | P-1 | 2 | -0.000921 | 2025-11-19 15:35:31 | 1,064 | 1.494865 | 1.779862 | 1.561788 | 0.284997 | 0.218074 | 0.066923 | 0.284997 | -55.374256 | 0.050205 | 0.017558 | 0.041011 | -55.71788 | 0.02547 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.163855309751128, 0.0, -1.6052423973448742], [-0.5338679903123854, 5.364018748185662, -1.7414070811381988], [0.0, 0.0, 9.10207287]], "pbc": [true, true, true], "a": 5.407606199999999, "b": 5.66482222, "c": 9.10207287, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.163855309751128,0.0,-1.6052423973448742],[-0.5338679903123854,5.364018748185662,-1.7414070811381988],[0.0,0.0,9.10207287]],"pbc":[true,true,true],"a":5.407606199999999,"b":5.66482222,"c":9.10207287,"alpha":107.90304500000002,... | 0.036258 | 0.050205 | [
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cd-251029-9bf3ec2f23114f299e81dd3d671c17e0 | Pb1 I2 O6 | Pb1 I2 O6 | P1 | 1 | 0.003034 | 2025-11-19 15:08:32 | 1,064 | 2.211189 | 2.25485 | 2.186926 | 0.043661 | 0.067924 | 0.024263 | 0.067924 | -41.475928 | 0.00753 | 0.007096 | 0.006722 | -41.565529 | 0.012663 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.241735203932037, 0.0, 1.061961075744858], [0.7051609704278888, 5.455605309514173, -2.233328161807178], [0.0, 0.0, 7.18891267]], "pbc": [true, true, true], "a": 4.37265124, "b": 5.93705617, "c": 7.18891267, "alpha": 11... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.241735203932037,0.0,1.061961075744858],[0.7051609704278888,5.455605309514173,-2.233328161807178],[0.0,0.0,7.18891267]],"pbc":[true,true,true],"a":4.37265124,"b":5.93705617,"c":7.18891267,"alpha":112.09649595000002,"beta":75.9... | 0.007116 | 0.00753 | [
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cd-251023-1113a702069e4a5b9a40003ee392f95a | Cs6 Se6 | Cs4 Se4 | C2/m | 12 | -0.000582 | 2025-11-19 15:34:46 | 1,064 | 2.294621 | 2.117779 | 2.167243 | 0.176843 | 0.049464 | 0.127378 | 0.176843 | -37.212977 | 0.0314 | 0.031401 | 0.041735 | -37.8759 | 0.044892 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.070037552825472, 0.0, 2.1824851690184865], [0.6427772787227748, 6.3984360310693935, 3.276018832519324], [0.0, 0.0, 9.86648716]], "pbc": [true, true, true], "a": 8.359949020000002, "b": 7.21702471, "c": 9.86648716, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.070037552825472,0.0,2.1824851690184865],[0.6427772787227748,6.3984360310693935,3.276018832519324],[0.0,0.0,9.86648716]],"pbc":[true,true,true],"a":8.359949020000002,"b":7.21702471,"c":9.86648716,"alpha":63.00393662,"beta":74.... | 0.034845 | 0.041735 | [
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cd-251109-865372c4eb41466f881195b1a29ce886 | K2 Hg2 Sb2 | K1 Hg1 Sb1 | P-6m2 | 187 | 0.000018 | 2025-11-19 17:01:58 | 1,064 | 6.768603 | 6.808187 | 2.330281 | 0.039584 | 4.477905 | 4.438321 | 4.477905 | -12.850457 | 3.299285 | 3.388098 | 0.022594 | -13.239166 | 0.000601 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9070789025609765, 0.0, 0.0016200891499144], [2.4368701597530134, 4.247232183056671, -0.0028262706295053], [0.0, 0.0, 10.45399935]], "pbc": [true, true, true], "a": 4.90707917, "b": 4.89666472, "c": 10.45399935, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.9070789025609765,0.0,0.0016200891499144484],[2.4368701597530134,4.247232183056671,-0.0028262706295052644],[0.0,0.0,10.45399935]],"pbc":[true,true,true],"a":4.90707917,"b":4.89666472,"c":10.45399935,"alpha":90.03307014000002,"... | 2.236659 | 3.388098 | [
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cd-251023-265ca419603444c0ac164d679e68560a | K5 Ge2 As4 | K5 Ge2 As4 | P-1 | 2 | 0.001325 | 2025-11-19 16:59:53 | 1,064 | 2.911196 | 3.1813 | 3.210174 | 0.270104 | 0.028875 | 0.298978 | 0.298978 | -36.674169 | 0.627663 | 0.783752 | 0.994494 | -37.570614 | 0.066942 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.782178270269484, 0.0, -2.52047086996687], [-2.4406879850878314, 6.122290002083821, -1.1325630740110002], [0.0, 0.0, 8.70847571]], "pbc": [true, true, true], "a": 7.23537943, "b": 6.687457800000001, "c": 8.70847571, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.782178270269484,0.0,-2.52047086996687],[-2.4406879850878314,6.122290002083821,-1.1325630740110002],[0.0,0.0,8.70847571]],"pbc":[true,true,true],"a":7.23537943,"b":6.687457800000001,"c":8.70847571,"alpha":99.75039479,"beta":11... | 0.80197 | 0.994494 | [
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cd-251112-240e06452d0e4bf28db2a4d1ac0cb375 | Tl4 Se6 | Tl4 Se6 | P-1 | 2 | -0.000162 | 2025-11-19 17:32:49 | 1,064 | 3.047916 | 4.359922 | 3.177032 | 1.312005 | 1.18289 | 0.129116 | 1.312005 | -31.835442 | 0.618865 | 0.951955 | 1.014264 | -32.474415 | 0.02934 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.266219979365709, 0.0, 0.0332077499306578], [-0.0027806616486243, 7.4285312539167965, -0.0598711728045124], [0.0, 0.0, 10.05444524]], "pbc": [true, true, true], "a": 4.2663492199999995, "b": 7.42877304, "c": 10.0544452... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.266219979365709,0.0,0.0332077499306578],[-0.002780661648624263,7.4285312539167965,-0.05987117280451241],[0.0,0.0,10.05444524]],"pbc":[true,true,true],"a":4.2663492199999995,"b":7.42877304,"c":10.05444524,"alpha":90.46177244,"... | 0.861695 | 1.014264 | [
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cd-251112-4c74e74f7a244ad297a28aca8e548cd1 | K3 Rb3 As1 P1 | K3 Rb3 As1 P1 | P-6 | 174 | null | 2025-11-19 16:55:14 | 1,064 | 2.740351 | 2.792222 | 2.790451 | 0.051871 | 0.001772 | 0.0501 | 0.051871 | -17.752836 | 0.754867 | 1.575501 | 1.565572 | -18.427254 | 0.023415 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.972091804015478, 0.0, -0.0058283092709737], [0.0083953587787359, 7.877764627776106, 4.512516365830077], [0.0, 0.0, 9.12045614]], "pbc": [true, true, true], "a": 4.97209522, "b": 9.07865904, "c": 9.12045614, "alpha": 6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.972091804015478,0.0,-0.005828309270973745],[0.008395358778735868,7.877764627776106,4.512516365830077],[0.0,0.0,9.12045614]],"pbc":[true,true,true],"a":4.97209522,"b":9.07865904,"c":9.12045614,"alpha":60.19520553000002,"beta":... | 1.298647 | 1.575501 | [
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cd-251112-0daa494720d648b9ad70a3abdfff3d6e | Bi1 Te1 I1 | Bi1 Te1 I1 | P3m1 | 156 | 0.000198 | 2025-11-19 17:08:36 | 1,064 | 3.854138 | 3.848897 | 3.304489 | 0.005242 | 0.544408 | 0.549649 | 0.549649 | -9.666184 | 0.076035 | 0.075528 | 0.045241 | -9.683822 | 0.004213 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.420590968459716, 0.0, -0.014873487017938], [-2.212995402903589, 3.826497880769733, 0.0133479763892589], [0.0, 0.0, 7.62626283]], "pbc": [true, true, true], "a": 4.42061599, "b": 4.42036343, "c": 7.62626283, "alpha": 8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.420590968459716,0.0,-0.014873487017937953],[-2.212995402903589,3.826497880769733,0.013347976389258933],[0.0,0.0,7.62626283]],"pbc":[true,true,true],"a":4.42061599,"b":4.42036343,"c":7.62626283,"alpha":89.8269862,"beta":90.192... | 0.065602 | 0.076035 | [
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cd-251023-d5607ba310cb4f35948a9c311c0d995c | Ba2 Ge2 Te6 | Ba2 Ge2 Te6 | P2_1 | 4 | 0.000554 | 2025-11-19 17:05:17 | 1,064 | 3.076309 | 3.460267 | 2.6341 | 0.383958 | 0.826167 | 0.442209 | 0.826167 | -38.812554 | 0.318239 | 0.169842 | 1.060039 | -39.338326 | 0.032105 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.719281258109401, 0.0, -0.0208187436765689], [-0.0003701847371558, 6.648136197384725, -0.0065961747178309], [0.0, 0.0, 8.05710197]], "pbc": [true, true, true], "a": 6.71931351, "b": 6.64813948, "c": 8.05710197, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.719281258109401,0.0,-0.02081874367656894],[-0.0003701847371557746,6.648136197384725,-0.00659617471783085],[0.0,0.0,8.05710197]],"pbc":[true,true,true],"a":6.71931351,"b":6.64813948,"c":8.05710197,"alpha":90.05684793999998,"be... | 0.51604 | 1.060039 | [
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cd-251112-ecf41715056d4215918581f7a92a1b09 | Rb4 Se6 | Rb4 Se6 | Pmc2_1 | 26 | -0.002089 | 2025-11-19 17:13:06 | 1,064 | 1.830773 | 2.668775 | 2.179981 | 0.838001 | 0.488794 | 0.349208 | 0.838001 | -32.391397 | 0.069506 | 0.045377 | 0.022752 | -32.745617 | 0.053538 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.782420296010542, 0.0, -0.0026676096266182], [0.0006410324023705, 8.179965348911045, -0.0015973979605031], [0.0, 0.0, 10.0246817]], "pbc": [true, true, true], "a": 4.78242104, "b": 8.17996553, "c": 10.0246817, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.782420296010542,0.0,-0.002667609626618166],[0.0006410324023705084,8.179965348911045,-0.0015973979605031035],[0.0,0.0,10.0246817]],"pbc":[true,true,true],"a":4.78242104,"b":8.17996553,"c":10.0246817,"alpha":90.01118882,"beta":... | 0.045878 | 0.069506 | [
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cd-251023-cdce4f68b4904cacb11b40b810eeea3f | In3 Hg1 Te4 As1 | In3 Hg1 Te4 As1 | P1 | 1 | null | 2025-11-19 18:09:55 | 1,064 | 3.788211 | 3.846804 | 3.770071 | 0.058593 | 0.076733 | 0.01814 | 0.076733 | -27.609499 | 0.271738 | 0.308711 | 0.23924 | -28.24548 | 0.006614 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.791108161146727, 0.0, 2.5711537069341577], [2.901144817304398, 7.072489748518212, 1.2670128799737554], [0.0, 0.0, 7.79566367]], "pbc": [true, true, true], "a": 6.33622641, "b": 7.748682089999999, "c": 7.79566367, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.791108161146727,0.0,2.5711537069341577],[2.901144817304398,7.072489748518212,1.2670128799737554],[0.0,0.0,7.79566367]],"pbc":[true,true,true],"a":6.33622641,"b":7.748682089999999,"c":7.79566367,"alpha":80.58911782000001,"beta... | 0.273229 | 0.308711 | [
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cd-251027-a4c46ff456d4410b87325ececc5ef86c | Nb2 Te2 | Nb2 Te2 | P4/nmm | 129 | -0.003662 | 2025-11-19 18:09:16 | 1,064 | 2.747567 | 3.267807 | 3.784654 | 0.52024 | 0.516847 | 1.037086 | 1.037086 | -27.783804 | 3.164163 | 2.471612 | 0.609593 | -28.202938 | 0.010433 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5928095061869585, 0.0, 0.0003150480168779], [1.3978605111e-06, 3.592609064131161, 0.0306540412326763], [0.0, 0.0, 7.74118651]], "pbc": [true, true, true], "a": 3.59280952, "b": 3.59273984, "c": 7.74118651, "alpha": 89... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5928095061869585,0.0,0.00031504801687789937],[1.3978605111097939e-6,3.592609064131161,0.03065404123267632],[0.0,0.0,7.74118651]],"pbc":[true,true,true],"a":3.59280952,"b":3.59273984,"c":7.74118651,"alpha":89.51113396,"beta":8... | 2.081789 | 3.164163 | [
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cd-251029-ae2466fdfc16451587761e51db309336 | Rb6 Sn6 | Rb6 Sn6 | P2_1/m | 11 | 0.004576 | 2025-11-19 19:20:06 | 1,064 | 4.152248 | 3.309548 | 3.649065 | 0.8427 | 0.339517 | 0.503183 | 0.8427 | -30.845119 | 1.707677 | 1.058589 | 1.18814 | -32.234715 | 0.054798 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.793563431392492, 0.0, -0.0066901834239155], [-0.0109955075717549, 7.969244947026152, -0.8571813988608804], [0.0, 0.0, 15.02537426]], "pbc": [true, true, true], "a": 4.7935681, "b": 8.01521964, "c": 15.02537426, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.793563431392492,0.0,-0.0066901834239155205],[-0.01099550757175489,7.969244947026152,-0.8571813988608804],[0.0,0.0,15.02537426]],"pbc":[true,true,true],"a":4.7935681,"b":8.01521964,"c":15.02537426,"alpha":96.13919289,"beta":90... | 1.318135 | 1.707677 | [
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cd-251029-ca166e87906842e091fa56ca76e18943 | K4 Rb2 P2 Se6 | K4 Rb2 P2 Se6 | P1 | 1 | 0.001215 | 2025-11-19 18:17:55 | 1,064 | 2.188117 | 2.217108 | 2.350802 | 0.028992 | 0.133694 | 0.162686 | 0.162686 | -49.939851 | 0.012408 | 0.013035 | 0.016484 | -50.330215 | 0.063328 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.827222639152342, 0.0, 1.500890759661412], [0.0770190177140143, 6.910686951946345, -0.0290767419195621], [0.0, 0.0, 10.50105357]], "pbc": [true, true, true], "a": 6.99025336, "b": 6.91117729, "c": 10.50105357, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.827222639152342,0.0,1.500890759661412],[0.07701901771401433,6.910686951946345,-0.029076741919562117],[0.0,0.0,10.50105357]],"pbc":[true,true,true],"a":6.99025336,"b":6.91117729,"c":10.50105357,"alpha":90.24105582000001,"beta"... | 0.013976 | 0.016484 | [
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cd-251029-c6539b4266e64bc5b4382e5e1ccea9e8 | Rb1 Ba2 As5 | Rb2 Ba4 As10 | Cm | 8 | -0.003459 | 2025-11-19 19:24:36 | 1,064 | 3.174339 | 3.196585 | 2.842094 | 0.022246 | 0.354491 | 0.332245 | 0.354491 | -33.382623 | 0.605417 | 0.611684 | 0.948209 | -33.949257 | 0.035901 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.385884364022859, 0.0, 1.6622967429207935], [1.3244140222391865, 6.2325222379254495, 1.663539271392479], [0.0, 0.0, 6.67820067]], "pbc": [true, true, true], "a": 6.59869302, "b": 6.585269080000001, "c": 6.67820067, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.385884364022859,0.0,1.6622967429207935],[1.3244140222391865,6.2325222379254495,1.663539271392479],[0.0,0.0,6.67820067]],"pbc":[true,true,true],"a":6.59869302,"b":6.585269080000001,"c":6.67820067,"alpha":75.36767777,"beta":75.... | 0.72177 | 0.948209 | [
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cd-251023-b5464f9e1d844f3ba76a16089fffa265 | K3 Ge2 Te4 | K3 Ge2 Te4 | P-1 | 2 | -0.00255 | 2025-11-19 19:02:27 | 1,064 | 2.921162 | 2.948935 | 3.01289 | 0.027773 | 0.063956 | 0.091728 | 0.091728 | -30.23557 | 0.300976 | 0.297514 | 0.273691 | -30.950323 | 0.013024 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.144840793317843, 0.0, 0.5919881508279803], [1.9415963347618512, 7.907419470098576, 1.5468902500799728], [0.0, 0.0, 8.7715208]], "pbc": [true, true, true], "a": 5.17878719, "b": 8.28793994, "c": 8.7715208, "alpha": 79.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.144840793317843,0.0,0.5919881508279803],[1.9415963347618512,7.907419470098576,1.5468902500799728],[0.0,0.0,8.7715208]],"pbc":[true,true,true],"a":5.17878719,"b":8.28793994,"c":8.7715208,"alpha":79.24303194,"beta":83.43616049,... | 0.290727 | 0.300976 | [
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cd-251029-97753d29a5d44ea8a027bb1e9bdb5075 | Rb4 In2 Sb2 | Rb4 In2 Sb2 | P-1 | 2 | 0.000434 | 2025-11-19 18:33:33 | 1,064 | 3.806728 | 3.449023 | 3.34191 | 0.357704 | 0.107114 | 0.464818 | 0.464818 | -19.817876 | 0.759918 | 0.637151 | 0.53634 | -20.291191 | 0.033944 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.498866821949686, 0.0, 1.5869480148506847], [-0.6860882436061726, 6.715582998742633, 1.4424563411228104], [0.0, 0.0, 7.7047217]], "pbc": [true, true, true], "a": 6.689818679999999, "b": 6.90293071, "c": 7.7047217, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.498866821949686,0.0,1.5869480148506847],[-0.6860882436061726,6.715582998742633,1.4424563411228104],[0.0,0.0,7.7047217]],"pbc":[true,true,true],"a":6.689818679999999,"b":6.90293071,"c":7.7047217,"alpha":77.9384182,"beta":76.27... | 0.64447 | 0.759918 | [
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cd-251023-5cef4ca4b99c4b6f89f699c5c869eac8 | Cs5 Sn1 Se4 | Cs10 Sn2 Se8 | C2 | 5 | 0.004856 | 2025-11-19 17:56:07 | 1,064 | 1.964574 | 1.973687 | 1.901587 | 0.009113 | 0.0721 | 0.062987 | 0.0721 | -31.382916 | 0.229897 | 0.136901 | 0.246846 | -32.128407 | 0.039617 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.96333408985287, 0.0, 2.7094667011622393], [3.9337062581766475, 7.842740720254668, 1.3022688252792234], [0.0, 0.0, 8.36049712]], "pbc": [true, true, true], "a": 8.41165261, "b": 8.87009194, "c": 8.36049712, "alpha": 81... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.96333408985287,0.0,2.7094667011622393],[3.9337062581766475,7.842740720254668,1.3022688252792234],[0.0,0.0,8.36049712]],"pbc":[true,true,true],"a":8.41165261,"b":8.87009194,"c":8.36049712,"alpha":81.55756303,"beta":71.2095003,... | 0.204548 | 0.246846 | [
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cd-251023-a8e18187412d4b78bdc12330eba4d2b3 | Cs2 Ge2 I6 | Cs2 Ge2 I6 | P6_3/mmc | 194 | 0.000061 | 2025-11-19 18:48:47 | 1,064 | 2.485296 | 2.406528 | 2.403887 | 0.078768 | 0.002641 | 0.081409 | 0.081409 | -28.384259 | 0.014002 | 0.013318 | 0.013208 | -28.476864 | 0.015675 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.360885622625217, 0.0, 0.097951847262565], [-0.0398110249549942, 7.3402763261653465, 4.215038063200752], [0.0, 0.0, 8.49708069]], "pbc": [true, true, true], "a": 7.361537319999999, "b": 8.4645016, "c": 8.49708069, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.360885622625217,0.0,0.09795184726256505],[-0.03981102495499419,7.3402763261653465,4.215038063200752],[0.0,0.0,8.49708069]],"pbc":[true,true,true],"a":7.361537319999999,"b":8.4645016,"c":8.49708069,"alpha":60.13444568,"beta":8... | 0.013509 | 0.014002 | [
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cd-251023-f7d0d004ccba4608a8785a1251e5440a | Cs2 Sb2 Te4 | Cs2 Sb2 Te4 | P-1 | 2 | 0.000607 | 2025-11-19 18:19:57 | 1,064 | 3.977719 | 3.021021 | 2.718846 | 0.956699 | 0.302174 | 1.258873 | 1.258873 | -26.62835 | 0.173353 | 0.090367 | 0.083215 | -26.742607 | 0.05307 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.24484273172277, 0.0, -1.324461576852587], [2.626206339746956, 6.779893209985853, 2.6595880900376883], [0.0, 0.0, 7.89867877]], "pbc": [true, true, true], "a": 7.36491308, "b": 7.7419196900000005, "c": 7.89867877, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.24484273172277,0.0,-1.324461576852587],[2.626206339746956,6.779893209985853,2.6595880900376883],[0.0,0.0,7.89867877]],"pbc":[true,true,true],"a":7.36491308,"b":7.7419196900000005,"c":7.89867877,"alpha":69.90786211,"beta":100.... | 0.115645 | 0.173353 | [
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cd-251023-9b18927faca64c14ac777fa4efa9b945 | Rb5 As6 | Rb5 As6 | P-62m | 189 | -0.00132 | 2025-11-19 18:00:28 | 1,064 | 2.280307 | 2.193593 | 2.192538 | 0.086714 | 0.001056 | 0.087769 | 0.087769 | -36.738854 | 0.142832 | 0.118117 | 0.117991 | -37.385563 | 0.015946 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.057887958153162, 0.0, -0.0024371100671009], [0.0013542222382781, 9.24676994734169, -5.36282281117754], [0.0, 0.0, 10.66525221]], "pbc": [true, true, true], "a": 4.05788869, "b": 10.68936971, "c": 10.66525221, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.057887958153162,0.0,-0.00243711006710094],[0.001354222238278133,9.24676994734169,-5.36282281117754],[0.0,0.0,10.66525221]],"pbc":[true,true,true],"a":4.05788869,"b":10.68936971,"c":10.66525221,"alpha":120.11232447000002,"beta... | 0.126313 | 0.142832 | [
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cd-251023-dd4b17ba1b444b94bc801090a3f74aff | Cs4 Sb2 Se6 | Cs4 Sb2 Se6 | P1 | 1 | 0.001671 | 2025-11-19 19:28:36 | 1,064 | 2.464383 | 2.364603 | 2.52632 | 0.099779 | 0.161717 | 0.061937 | 0.161717 | -42.496523 | 0.073365 | 0.155079 | 0.110873 | -42.527134 | 0.030448 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.863563362939253, 0.0, 2.7311338149175177], [2.3318420683295225, 6.853824341386644, 2.5178407004986316], [0.0, 0.0, 9.87314638]], "pbc": [true, true, true], "a": 8.32434506, "b": 7.66497993, "c": 9.87314638, "alpha": 7... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.863563362939253,0.0,2.7311338149175177],[2.3318420683295225,6.853824341386644,2.5178407004986316],[0.0,0.0,9.87314638]],"pbc":[true,true,true],"a":8.32434506,"b":7.66497993,"c":9.87314638,"alpha":70.82307576,"beta":70.8471168... | 0.113106 | 0.155079 | [
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cd-251029-053c79288a704163bb6559957ffc00a7 | Cs6 P2 Se10 | Cs3 P1 Se5 | P1 | 1 | 0.001351 | 2025-11-19 19:29:32 | 1,064 | 2.310243 | 2.305823 | 2.224057 | 0.00442 | 0.081765 | 0.086185 | 0.086185 | -65.244377 | 0.014912 | 0.022747 | 0.01821 | -64.821838 | 0.077571 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.598979791189802, 0.0, -0.9290200691239066], [-1.0411735384071794, 8.87968452273134, 0.7299203738782227], [0.0, 0.0, 9.66924902]], "pbc": [true, true, true], "a": 8.649019120000002, "b": 8.97026328, "c": 9.66924902, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.598979791189802,0.0,-0.9290200691239066],[-1.0411735384071794,8.87968452273134,0.7299203738782227],[0.0,0.0,9.66924902]],"pbc":[true,true,true],"a":8.649019120000002,"b":8.97026328,"c":9.66924902,"alpha":85.33261787,"beta":96... | 0.018623 | 0.022747 | [
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cd-251029-eb1b11a64ead425f9e693af1aa461683 | K5 As1 P1 Se7 | K5 As1 P1 Se7 | P1 | 1 | 0.002728 | 2025-11-20 05:05:35 | 1,064 | 2.002148 | 2.057432 | 2.108182 | 0.055284 | 0.05075 | 0.106034 | 0.106034 | -50.269049 | 0.184926 | 0.151743 | 0.206718 | -50.983192 | 0.032928 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.690813079779974, 0.0, 0.0283402849107907], [0.6372596848245757, 7.100396518467326, -0.5797185417363431], [0.0, 0.0, 10.54043566]], "pbc": [true, true, true], "a": 6.6908731, "b": 7.1524684, "c": 10.54043566, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.690813079779974,0.0,0.028340284910790724],[0.6372596848245757,7.100396518467326,-0.5797185417363431],[0.0,0.0,10.54043566]],"pbc":[true,true,true],"a":6.6908731,"b":7.1524684,"c":10.54043566,"alpha":94.64901054000002,"beta":8... | 0.181129 | 0.206718 | [
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cd-251109-13c3ef4c87eb4967a05eab68788afb91 | Sb2 Te2 Se1 | Sb2 Te2 Se1 | P-3m1 | 164 | 0.000038 | 2025-11-20 06:00:00 | 1,064 | 6.630015 | 6.651568 | 5.100088 | 0.021553 | 1.55148 | 1.529928 | 1.55148 | -19.005129 | 0.937125 | 0.953129 | 0.790565 | -18.975378 | 0.004349 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2246245492311445, 0.0, -0.0195101818985236], [2.1116955875735712, 3.660431696591816, 0.011710212102227], [0.0, 0.0, 10.51297411]], "pbc": [true, true, true], "a": 4.2246696, "b": 4.2258911, "c": 10.51297411, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2246245492311445,0.0,-0.019510181898523594],[2.1116955875735712,3.660431696591816,0.01171021210222699],[0.0,0.0,10.51297411]],"pbc":[true,true,true],"a":4.2246696,"b":4.2258911,"c":10.51297411,"alpha":89.84122956000002,"beta"... | 0.893606 | 0.953129 | [
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cd-251109-ff5cb588a80a462b8237c0857136c319 | Bi1 Te1 Br1 | Bi1 Te1 Br1 | P3m1 | 156 | 0.000175 | 2025-11-20 07:43:13 | 1,064 | 3.537744 | 3.538003 | 2.941643 | 0.000259 | 0.59636 | 0.596101 | 0.59636 | -10.183076 | 0.058568 | 0.058861 | 0.027638 | -10.192137 | 0.00158 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.330814116119006, 0.0, -0.0436238651215907], [2.1634032568775496, 3.748394050812388, -0.0317069503855052], [0.0, 0.0, 7.55837928]], "pbc": [true, true, true], "a": 4.331033820000001, "b": 4.32802229, "c": 7.55837928, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.330814116119006,0.0,-0.04362386512159071],[2.1634032568775496,3.748394050812388,-0.03170695038550517],[0.0,0.0,7.55837928]],"pbc":[true,true,true],"a":4.331033820000001,"b":4.32802229,"c":7.55837928,"alpha":90.41975077,"beta"... | 0.048356 | 0.058861 | [
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cd-251112-7f2048d3956b4d74875565390b52b6cf | Cs3 Te3 As1 | Cs3 Te3 As1 | P31m | 157 | -0.002426 | 2025-11-20 07:16:25 | 1,064 | 2.30969 | 2.720411 | 2.720246 | 0.410721 | 0.000165 | 0.410556 | 0.410721 | -21.9353 | 0.088713 | 0.057767 | 0.057789 | -22.082844 | 0.030732 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.894632210009436, 0.0, -0.0021901249807081], [0.0003557246546582, 7.916124323491381, 4.564841764598138], [0.0, 0.0, 9.13903908]], "pbc": [true, true, true], "a": 4.8946327, "b": 9.13798691, "c": 9.13903908, "alpha": 60... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.894632210009436,0.0,-0.00219012498070815],[0.00035572465465816136,7.916124323491381,4.564841764598138],[0.0,0.0,9.13903908]],"pbc":[true,true,true],"a":4.8946327,"b":9.13798691,"c":9.13903908,"alpha":60.03005389,"beta":90.025... | 0.06809 | 0.088713 | [
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cd-251112-014a40bf638b4f9dbe5315415eedf234 | Rb4 Te8 | Rb4 Te8 | Pnma | 62 | -0.000303 | 2025-11-20 08:51:16 | 1,064 | 3.503091 | 3.470651 | 2.981925 | 0.03244 | 0.488726 | 0.521166 | 0.521166 | -34.636691 | 6.118067 | 0.14771 | 0.112595 | -35.945415 | 0.016925 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.531047805104211, 0.0, 0.0033587745113589], [0.0082620198170979, 8.478797661571631, 0.0593308848905549], [0.0, 0.0, 13.0955855]], "pbc": [true, true, true], "a": 4.53104905, "b": 8.479009269999999, "c": 13.0955855, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.531047805104211,0.0,0.0033587745113589163],[0.008262019817097878,8.478797661571631,0.0593308848905549],[0.0,0.0,13.0955855]],"pbc":[true,true,true],"a":4.53104905,"b":8.479009269999999,"c":13.0955855,"alpha":89.59907615,"beta... | 2.126124 | 6.118067 | [
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cd-251023-f38c66ced3d044ad9b8dac1559c13dec | Rb6 As2 Se6 | Rb6 As2 Se6 | P2_1/m | 11 | 0.001108 | 2025-11-20 02:34:27 | 1,064 | 2.184818 | 2.326519 | 2.430646 | 0.1417 | 0.104127 | 0.245828 | 0.245828 | -48.343867 | 0.015196 | 0.019729 | 0.020982 | -48.501072 | 0.037271 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.80329020507218, 0.0, -0.006265302122405], [0.3621342034353104, 7.028441689253429, 0.0052025832270929], [0.0, 0.0, 11.29208863]], "pbc": [true, true, true], "a": 6.80329309, "b": 7.03776675, "c": 11.29208863, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.80329020507218,0.0,-0.006265302122404981],[0.36213420343531044,7.028441689253429,0.0052025832270929115],[0.0,0.0,11.29208863]],"pbc":[true,true,true],"a":6.80329309,"b":7.03776675,"c":11.29208863,"alpha":89.95764479,"beta":90... | 0.018636 | 0.020982 | [
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cd-251113-e8cb060ee9144c3fb54ad2ec278c6414 | K4 Hg1 Se4 | K4 Hg1 Se4 | P-1 | 2 | 0.000532 | 2025-11-20 07:53:11 | 1,064 | 2.100045 | 2.076273 | 2.312917 | 0.023772 | 0.236644 | 0.212872 | 0.236644 | -26.210688 | 0.072022 | 0.045924 | 0.051818 | -26.765297 | 0.057004 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.002585112416673, 0.0, 2.1959616269809006], [-0.5598482679332273, 4.781769537038365, 0.9787379619116279], [0.0, 0.0, 17.29643403]], "pbc": [true, true, true], "a": 4.56540634, "b": 4.91290932, "c": 17.29643403, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.002585112416673,0.0,2.1959616269809006],[-0.5598482679332273,4.781769537038365,0.9787379619116279],[0.0,0.0,17.29643403]],"pbc":[true,true,true],"a":4.56540634,"b":4.91290932,"c":17.29643403,"alpha":78.50879035,"beta":61.2492... | 0.056588 | 0.072022 | [
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cd-251104-46eaac6d68564d97920344cf9a2c5a93 | K4 Rb8 As4 | K4 Rb8 As4 | P2_1/m | 11 | -0.000185 | 2025-11-20 10:23:41 | 1,064 | 2.715578 | 2.706157 | 2.71683 | 0.009421 | 0.010673 | 0.001252 | 0.010673 | -34.672643 | 0.763061 | 1.555823 | 1.674415 | -35.613224 | 0.022186 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.15586261278796, 0.0, -0.0017209450079752], [0.0008646079638076, 9.077598206814724, -0.0182831615625445], [0.0, 0.0, 16.07544143]], "pbc": [true, true, true], "a": 5.1558629, "b": 9.07761666, "c": 16.07544143, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.15586261278796,0.0,-0.0017209450079752149],[0.0008646079638076384,9.077598206814724,-0.018283161562544538],[0.0,0.0,16.07544143]],"pbc":[true,true,true],"a":5.1558629,"b":9.07761666,"c":16.07544143,"alpha":90.11539909,"beta":... | 1.331099 | 1.674415 | [
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cd-251029-66aa90e5996e489eb42c562a6464d1f0 | Na5 Ge1 As3 | Na10 Ge2 As6 | Amm2 | 38 | 0.002784 | 2025-11-20 04:51:10 | 1,064 | 3.293344 | 3.910211 | 4.105267 | 0.616867 | 0.195057 | 0.811924 | 0.811924 | -28.447036 | 0.428151 | 0.555379 | 1.143774 | -28.428772 | 0.013457 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4593478503792054, 0.0, -0.0007879890141542], [0.007464242714304, 6.699744715503461, -3.574418449070148], [0.0, 0.0, 7.14172362]], "pbc": [true, true, true], "a": 4.45934792, "b": 7.593622469999999, "c": 7.14172362, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4593478503792054,0.0,-0.0007879890141542379],[0.007464242714303995,6.699744715503461,-3.574418449070148],[0.0,0.0,7.14172362]],"pbc":[true,true,true],"a":4.45934792,"b":7.593622469999999,"c":7.14172362,"alpha":118.08060285,"b... | 0.709102 | 1.143774 | [
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cd-251101-c5e5fce6b65c4712a8c61581edcd0924 | K1 Rb2 Sb1 Te3 | K2 Rb4 Sb2 Te6 | Cm | 8 | 0.003211 | 2025-11-20 02:57:05 | 1,064 | 2.595664 | 2.745282 | 2.726444 | 0.149618 | 0.018837 | 0.13078 | 0.149618 | -21.549873 | 0.06613 | 0.038375 | 0.037411 | -21.857649 | 0.009336 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.588332465032906, 0.0, 0.0395132956334722], [-0.0668167408277404, 7.728588022145073, 4.746136765683018], [0.0, 0.0, 9.08366833]], "pbc": [true, true, true], "a": 4.5885026, "b": 9.06980438, "c": 9.08366833, "alpha": 58... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.588332465032906,0.0,0.039513295633472174],[-0.0668167408277404,7.728588022145073,4.746136765683018],[0.0,0.0,9.08366833]],"pbc":[true,true,true],"a":4.5885026,"b":9.06980438,"c":9.08366833,"alpha":58.446810590000005,"beta":89... | 0.047305 | 0.06613 | [
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cd-251029-60e8edd7381a445ea469dd2b2642d8ac | K2 Rb1 As4 | K4 Rb2 As8 | Cmmm | 65 | -0.001653 | 2025-11-20 04:16:12 | 1,064 | 1.890587 | 2.60623 | 2.907149 | 0.715643 | 0.300918 | 1.016561 | 1.016561 | -24.190631 | 0.054956 | 0.095579 | 0.090071 | -24.72599 | 0.014148 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9377701020098765, 0.0, -0.0008194139406079], [0.0029056303225367, 7.3088489626991056, -3.571107112362651], [0.0, 0.0, 7.12231818]], "pbc": [true, true, true], "a": 4.93777017, "b": 8.13462277, "c": 7.12231818, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.9377701020098765,0.0,-0.000819413940607922],[0.00290563032253669,7.3088489626991056,-3.571107112362651],[0.0,0.0,7.12231818]],"pbc":[true,true,true],"a":4.93777017,"b":8.13462277,"c":7.12231818,"alpha":116.04015509000001,"bet... | 0.080202 | 0.095579 | [
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cd-251101-782e1009f95e4d228b87687ead6b3c5f | Sb2 Te3 | Sb2 Te3 | P-3m1 | 164 | -0.00011 | 2025-11-20 04:52:35 | 1,064 | 7.781587 | 7.764612 | 7.579388 | 0.016975 | 0.185224 | 0.202199 | 0.202199 | -18.311621 | 1.805435 | 1.831476 | 1.66935 | -18.308926 | 0.009766 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.33332382235822, 0.0, 0.0086119764985002], [2.1649456560741394, 3.755398121430578, 0.0166514962298923], [0.0, 0.0, 10.39062483]], "pbc": [true, true, true], "a": 4.33333238, "b": 4.33477589, "c": 10.39062483, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.33332382235822,0.0,0.008611976498500156],[2.1649456560741394,3.755398121430578,0.01665149622989235],[0.0,0.0,10.39062483]],"pbc":[true,true,true],"a":4.33333238,"b":4.33477589,"c":10.39062483,"alpha":89.77990493,"beta":89.886... | 1.768754 | 1.831476 | [
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cd-251023-6c3a586469074daaa493132fc949c72d | Cs2 In2 Sb2 | Cs4 In4 Sb4 | C2/m | 12 | -0.002536 | 2025-11-20 02:51:37 | 1,064 | 4.084387 | 4.519952 | 3.267076 | 0.435565 | 1.252877 | 0.817311 | 1.252877 | -17.347494 | 0.841497 | 1.585172 | 0.644736 | -17.650408 | 0.009038 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.6248847933382775, 0.0, 1.4087603334098269], [2.0733495788202703, 6.275521009439388, 1.5032104160487103], [0.0, 0.0, 8.27662211]], "pbc": [true, true, true], "a": 4.83468355, "b": 6.77794836, "c": 8.27662211, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6248847933382775,0.0,1.4087603334098269],[2.0733495788202703,6.275521009439388,1.5032104160487103],[0.0,0.0,8.27662211]],"pbc":[true,true,true],"a":4.83468355,"b":6.77794836,"c":8.27662211,"alpha":77.18642326,"beta":73.059032... | 1.023801 | 1.585172 | [
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cd-251101-e03c9387903a45cd8f6ca409f3b281cb | Rb1 Sb14 | Rb2 Sb28 | C2/m | 12 | -0.000338 | 2025-11-20 03:25:14 | 1,064 | 6.611315 | 4.338036 | 4.943749 | 2.27328 | 0.605713 | 1.667567 | 2.27328 | -59.135067 | 3.343934 | 2.047182 | 2.553811 | -59.493786 | 0.021435 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.416848828987953, 0.0, -0.004459233668934], [-2.1959938206059775, 8.153707515138468, -0.6841914588804456], [0.0, 0.0, 14.89476735]], "pbc": [true, true, true], "a": 4.41685108, "b": 8.471921450000002, "c": 14.89476735,... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.416848828987953,0.0,-0.004459233668933958],[-2.1959938206059775,8.153707515138468,-0.6841914588804456],[0.0,0.0,14.89476735]],"pbc":[true,true,true],"a":4.41685108,"b":8.471921450000002,"c":14.89476735,"alpha":94.632245659999... | 2.648309 | 3.343934 | [
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cd-251023-f498bd3473e54f71819ef2e6121b8adc | Hf6 C1 N5 | Hf6 C1 N5 | P2/m | 10 | -0.000058 | 2025-11-20 10:35:42 | 1,064 | 0.779092 | 1.094007 | 0.794183 | 0.314914 | 0.299823 | 0.015091 | 0.314914 | -130.656697 | 4.014223 | 7.532632 | 3.422824 | -130.439224 | 0.004532 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2230359757203533, 0.0, -0.0001660930840332], [0.0002098851789016, 5.5845096719329606, 0.0002145906005373], [0.0, 0.0, 7.89441016]], "pbc": [true, true, true], "a": 3.22303598, "b": 5.58450968, "c": 7.89441016, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2230359757203533,0.0,-0.00016609308403316966],[0.00020988517890160015,5.5845096719329606,0.00021459060053726644],[0.0,0.0,7.89441016]],"pbc":[true,true,true],"a":3.22303598,"b":5.58450968,"c":7.89441016,"alpha":89.99779835,"b... | 4.989893 | 7.532632 | [
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cd-251030-0295318fddf044eba9a162e89b3dd8d2 | Rb1 Ge4 Te8 | Rb1 Ge4 Te8 | P4 | 75 | -0.001317 | 2025-11-20 04:18:54 | 1,064 | 4.389517 | 2.829729 | 2.845255 | 1.559788 | 0.015526 | 1.544262 | 1.559788 | -46.188706 | 1.170539 | 0.821015 | 0.826182 | -47.032703 | 0.026888 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.76202702962641, 0.0, 0.0377211061508782], [0.0022111065012592, 9.00847789821608, -0.0630043815042685], [0.0, 0.0, 9.06245592]], "pbc": [true, true, true], "a": 6.76213224, "b": 9.008698490000002, "c": 9.06245592, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.76202702962641,0.0,0.03772110615087821],[0.0022111065012592264,9.00847789821608,-0.06300438150426851],[0.0,0.0,9.06245592]],"pbc":[true,true,true],"a":6.76213224,"b":9.008698490000002,"c":9.06245592,"alpha":90.40071433000001,... | 0.939245 | 1.170539 | [
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cd-251105-af74242d283d429398c3fb2362fc45db | K4 Sn2 Hg2 Te8 | K4 Sn2 Hg2 Te8 | I-42m | 121 | 0.000023 | 2025-11-20 05:46:19 | 1,064 | 3.495401 | 3.495404 | 4.034393 | 0.000003 | 0.538989 | 0.538992 | 0.538992 | -46.352737 | 0.473107 | 0.472177 | 0.158834 | -47.023582 | 0.007479 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.732694921943162, 0.0, 0.1133684905558029], [0.0028938285775049, 8.729584476234264, 0.0324047835962823], [0.0, 0.0, 7.62881646]], "pbc": [true, true, true], "a": 8.73343077, "b": 8.729645099999999, "c": 7.62881646, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.732694921943162,0.0,0.11336849055580286],[0.0028938285775049,8.729584476234264,0.03240478359628232],[0.0,0.0,7.62881646]],"pbc":[true,true,true],"a":8.73343077,"b":8.729645099999999,"c":7.62881646,"alpha":89.78731534,"beta":8... | 0.36804 | 0.473107 | [
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cd-251112-e29d11660d774b8685441106e22a64dc | Cs3 Ga2 Sb2 | Cs6 Ga4 Sb4 | Immm | 71 | 0.000021 | 2025-11-20 10:49:40 | 1,064 | 4.379801 | 2.619824 | 3.649038 | 1.759977 | 1.029214 | 0.730763 | 1.759977 | -19.27751 | 0.319467 | 0.145525 | 0.846511 | -19.306404 | 0.011355 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4407457542723066, 0.0, -0.8983045874232435], [-0.3431565048014021, 5.92945618126298, -1.702309327875337], [0.0, 0.0, 11.22029413]], "pbc": [true, true, true], "a": 4.530692440000001, "b": 6.178516329999998, "c": 11.22... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4407457542723066,0.0,-0.8983045874232435],[-0.34315650480140214,5.92945618126298,-1.702309327875337],[0.0,0.0,11.22029413]],"pbc":[true,true,true],"a":4.530692440000001,"b":6.178516329999998,"c":11.22029413,"alpha":105.993048... | 0.437167 | 0.846511 | [
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cd-251109-07a97a4d7a274e0ab8d2178ed6462679 | K4 Se6 | K4 Se6 | Pmmn | 59 | -0.00114 | 2025-11-20 09:22:53 | 1,064 | 2.443348 | 5.044737 | 1.957157 | 2.601389 | 3.08758 | 0.486191 | 3.08758 | -33.000828 | 0.048458 | 1.955216 | 0.131006 | -33.139519 | 0.00549 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.770778082642189, 0.0, 0.0029097723592675], [-0.0130560418695553, 7.395592553368674, -0.0070099403185256], [0.0, 0.0, 9.23310467]], "pbc": [true, true, true], "a": 4.77077897, "b": 7.395607399999999, "c": 9.23310467, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.770778082642189,0.0,0.002909772359267521],[-0.013056041869555304,7.395592553368674,-0.007009940318525638],[0.0,0.0,9.23310467]],"pbc":[true,true,true],"a":4.77077897,"b":7.395607399999999,"c":9.23310467,"alpha":90.05430792,"b... | 0.71156 | 1.955216 | [
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cd-251105-207945975a784b24baa50cfbf967c8cb | Rb4 Sn4 Sb4 | Rb4 Sn4 Sb4 | Pnma | 62 | 0.000144 | 2025-11-20 10:25:25 | 1,064 | 3.97353 | 2.697705 | 3.027389 | 1.275825 | 0.329684 | 0.946141 | 1.275825 | -39.190154 | 0.982313 | 1.238794 | 0.784273 | -40.569489 | 0.080581 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.395186918858917, 0.0, 0.0050412517585134], [-0.0197023002877343, 8.859129565010553, 0.033953973683243], [0.0, 0.0, 12.52589634]], "pbc": [true, true, true], "a": 4.39518981, "b": 8.85921654, "c": 12.52589634, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.395186918858917,0.0,0.005041251758513362],[-0.019702300287734315,8.859129565010553,0.033953973683243],[0.0,0.0,12.52589634]],"pbc":[true,true,true],"a":4.39518981,"b":8.85921654,"c":12.52589634,"alpha":89.78040675000001,"beta... | 1.001793 | 1.238794 | [
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cd-251112-79747d3c9bba458d98c542d9f1c3327a | K4 Hg2 Se4 | K2 Hg1 Se2 | P2/m | 10 | 0.002527 | 2025-11-20 07:21:21 | 1,064 | 1.933635 | 2.518745 | 2.448354 | 0.58511 | 0.070391 | 0.514719 | 0.58511 | -26.956712 | 0.006749 | 0.019454 | 0.0184 | -27.420408 | 0.032474 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.473266356066013, 0.0, -0.0089402355942613], [0.0055317699852862, 7.501609527838142, -3.92050056354804], [0.0, 0.0, 10.85869749]], "pbc": [true, true, true], "a": 4.47327529, "b": 8.46430746, "c": 10.85869749, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.473266356066013,0.0,-0.008940235594261298],[0.005531769985286235,7.501609527838142,-3.92050056354804],[0.0,0.0,10.85869749]],"pbc":[true,true,true],"a":4.47327529,"b":8.46430746,"c":10.85869749,"alpha":117.59251835000002,"bet... | 0.014868 | 0.019454 | [
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cd-251101-98084e834eb04deb8610a606602bdb2b | Rb4 Se6 | Rb4 Se6 | Pmc2_1 | 26 | -0.00209 | 2025-11-20 04:55:53 | 1,064 | 1.837939 | 2.684999 | 2.187151 | 0.847061 | 0.497848 | 0.349212 | 0.847061 | -32.401428 | 0.07084 | 0.046052 | 0.023021 | -32.745682 | 0.054295 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.795983312614765, 0.0, 0.0007419145932544], [0.0003891041452955, 8.159601721455555, 0.0036787193500735], [0.0, 0.0, 9.98523688]], "pbc": [true, true, true], "a": 4.79598337, "b": 8.15960256, "c": 9.98523688, "alpha": 8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.795983312614765,0.0,0.0007419145932543749],[0.0003891041452954821,8.159601721455555,0.003678719350073477],[0.0,0.0,9.98523688]],"pbc":[true,true,true],"a":4.79598337,"b":8.15960256,"c":9.98523688,"alpha":89.97416846,"beta":89... | 0.046638 | 0.07084 | [
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cd-251109-7452397bfb034437868d55a59c60854a | K4 Se6 | K4 Se6 | Pmmn | 59 | -0.00114 | 2025-11-20 10:28:41 | 1,064 | 2.438095 | 5.072788 | 1.957398 | 2.634694 | 3.115391 | 0.480697 | 3.115391 | -32.994316 | 0.048009 | 2.084534 | 0.129636 | -33.139488 | 0.006501 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.77913479274747, 0.0, -0.0006720509044752], [-0.0084691832455788, 7.383314631447646, -0.0010948658644404], [0.0, 0.0, 9.22801781]], "pbc": [true, true, true], "a": 4.77913484, "b": 7.38331957, "c": 9.22801781, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.77913479274747,0.0,-0.0006720509044751634],[-0.008469183245578833,7.383314631447646,-0.00109486586444044],[0.0,0.0,9.22801781]],"pbc":[true,true,true],"a":4.77913484,"b":7.38331957,"c":9.22801781,"alpha":90.00849633999998,"be... | 0.75406 | 2.084534 | [
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0.0... | 1 | 1 | 2.464309 | 0.152838 | 2.544214 | 0.153151 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251109-5a829ed0944e474495191dd4a8616c31 | Cs4 As3 | Cs8 As6 | Cm | 8 | -0.001212 | 2025-11-20 09:45:21 | 1,064 | 2.815862 | 2.787556 | 2.673214 | 0.028306 | 0.114343 | 0.142648 | 0.142648 | -20.209991 | 0.858707 | 0.828414 | 0.246314 | -20.196665 | 0.015455 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.846469209027792, 0.0, 1.9134850391509433], [-0.1886383056690423, 6.82837953033344, 1.9619176747562872], [0.0, 0.0, 6.94071414]], "pbc": [true, true, true], "a": 7.10883715, "b": 7.107142350000001, "c": 6.94071414, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.846469209027792,0.0,1.9134850391509433],[-0.18863830566904233,6.82837953033344,1.9619176747562872],[0.0,0.0,6.94071414]],"pbc":[true,true,true],"a":7.10883715,"b":7.107142350000001,"c":6.94071414,"alpha":73.97547817,"beta":74... | 0.644478 | 0.858707 | [
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cd-251029-8eba221370684c26a90b2aeddcd6ad24 | Cs4 Sb4 | Cs4 Sb4 | P-1 | 2 | -0.000891 | 2025-11-20 04:19:52 | 1,064 | 3.115951 | 2.485187 | 2.658045 | 0.630764 | 0.172858 | 0.457906 | 0.630764 | -23.127839 | 0.670261 | 0.660192 | 0.58481 | -23.48299 | 0.03479 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.02543149916374, 0.0, 2.1409816793308964], [-0.4958103047036523, 7.103877462293309, 2.7366311590463717], [0.0, 0.0, 7.66882969]], "pbc": [true, true, true], "a": 7.34441899, "b": 7.62889592, "c": 7.66882969, "alpha": 6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.02543149916374,0.0,2.1409816793308964],[-0.49581030470365234,7.103877462293309,2.7366311590463717],[0.0,0.0,7.66882969]],"pbc":[true,true,true],"a":7.34441899,"b":7.62889592,"c":7.66882969,"alpha":68.97844374,"beta":73.051538... | 0.638421 | 0.670261 | [
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cd-251103-2335d47ab8a443669c6f2ba53517b232 | Rb3 Ga2 As2 | Rb6 Ga4 As4 | Cmmm | 65 | 0.000726 | 2025-11-20 02:51:00 | 1,064 | 3.836255 | 2.47461 | 3.173111 | 1.361645 | 0.698501 | 0.663144 | 1.361645 | -20.626388 | 0.129045 | 0.245756 | 0.846425 | -20.95657 | 0.006756 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.112331296051497, 0.0, -0.0140683487354681], [-0.0066440470571884, 5.577253622534751, -1.732062223532916], [0.0, 0.0, 9.80773367]], "pbc": [true, true, true], "a": 4.11235536, "b": 5.84002069, "c": 9.80773367, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.112331296051497,0.0,-0.014068348735468077],[-0.006644047057188368,5.577253622534751,-1.732062223532916],[0.0,0.0,9.80773367]],"pbc":[true,true,true],"a":4.11235536,"b":5.84002069,"c":9.80773367,"alpha":107.25260205999999,"bet... | 0.407075 | 0.846425 | [
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cd-251109-5d506877dab1425eb503a73ebd0aeb08 | Bi6 Sb2 | Bi6 Sb2 | Pm | 6 | -0.000053 | 2025-11-20 05:29:04 | 1,064 | 7.331523 | 8.16947 | 5.175333 | 0.837947 | 2.994137 | 2.156189 | 2.994137 | -31.020343 | 3.654439 | 3.292209 | 0.904087 | -31.319921 | 0.010452 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.562732242730136, 0.0, -0.0476789429271078], [-0.0027096166583542, 4.757396427456838, -0.0644373324822221], [0.0, 0.0, 13.6610563]], "pbc": [true, true, true], "a": 4.56298135, "b": 4.75783357, "c": 13.6610563, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.562732242730136,0.0,-0.04767894292710784],[-0.002709616658354216,4.757396427456838,-0.0644373324822221],[0.0,0.0,13.6610563]],"pbc":[true,true,true],"a":4.56298135,"b":4.75783357,"c":13.6610563,"alpha":90.77600446,"beta":90.5... | 2.616911 | 3.654439 | [
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cd-251112-f7951214e0854a90910754d28faf564f | K1 Hg1 Sb1 | K1 Hg1 Sb1 | P-6m2 | 187 | 0.000036 | 2025-11-20 08:28:00 | 1,064 | 6.785857 | 6.832431 | 2.340997 | 0.046574 | 4.491434 | 4.44486 | 4.491434 | -6.426734 | 2.956561 | 2.995332 | 0.021572 | -6.61959 | 0.000722 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.901515226880484, 0.0, 0.0007216177877864], [-2.4485783146587057, 4.243456952758945, 0.0005887624760453], [0.0, 0.0, 5.23748491]], "pbc": [true, true, true], "a": 4.90151528, "b": 4.899230860000001, "c": 5.23748491, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.901515226880484,0.0,0.0007216177877864212],[-2.4485783146587057,4.243456952758945,0.0005887624760452851],[0.0,0.0,5.23748491]],"pbc":[true,true,true],"a":4.90151528,"b":4.899230860000001,"c":5.23748491,"alpha":89.993114509999... | 1.991155 | 2.995332 | [
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cd-251109-f85ca7d912584a9a9803197158c39c5b | K2 Sb8 | K2 Sb8 | P2_1/m | 11 | -0.003835 | 2025-11-20 10:32:53 | 1,064 | 3.413126 | 3.384307 | 3.136174 | 0.028819 | 0.248132 | 0.276951 | 0.276951 | -36.234753 | 0.518293 | 1.291136 | 1.032468 | -37.147266 | 0.080244 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.349424590838355, 0.0, 0.0016131838441852], [-0.0025557653609011, 6.170048341880886, 2.8628387603972962], [0.0, 0.0, 14.12345547]], "pbc": [true, true, true], "a": 4.34942489, "b": 6.80186363, "c": 14.12345547, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.349424590838355,0.0,0.0016131838441852237],[-0.0025557653609011,6.170048341880886,2.8628387603972962],[0.0,0.0,14.12345547]],"pbc":[true,true,true],"a":4.34942489,"b":6.80186363,"c":14.12345547,"alpha":65.10918826,"beta":89.9... | 0.947299 | 1.291136 | [
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cd-251101-d6c8b77313774220a4f50ef925e0b8a6 | Cs1 Te2 | Cs2 Te4 | Cmmm | 65 | -0.006414 | 2025-11-20 03:42:51 | 1,064 | 2.555247 | 2.243936 | 1.944491 | 0.311311 | 0.299445 | 0.610756 | 0.610756 | -8.952369 | 0.034419 | 0.01865 | 0.006686 | -8.992982 | 0.011176 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.217712661248589, 0.0, -0.0003021997592901], [2.618226891162673, 5.739300763232557, 0.0035763537360148], [0.0, 0.0, 4.88000986]], "pbc": [true, true, true], "a": 5.217712669999999, "b": 6.3083039, "c": 4.88000986, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.217712661248589,0.0,-0.0003021997592901018],[2.618226891162673,5.739300763232557,0.0035763537360148424],[0.0,0.0,4.88000986]],"pbc":[true,true,true],"a":5.217712669999999,"b":6.3083039,"c":4.88000986,"alpha":89.96751742000001... | 0.019918 | 0.034419 | [
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cd-251105-79f2825fb09f48988fa66787cc255a7a | Cs3 Sn1 Te3 | Cs6 Sn2 Te6 | Amm2 | 38 | 0.006392 | 2025-11-20 05:56:34 | 1,064 | 3.180602 | 2.545531 | 2.447643 | 0.635071 | 0.097888 | 0.732959 | 0.732959 | -21.45323 | 0.237125 | 0.040326 | 0.051519 | -21.815464 | 0.014738 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.904192057966231, 0.0, -0.0013724215867931], [-0.0029044516452039, 8.713857783360103, -4.68743425784591], [0.0, 0.0, 9.36751279]], "pbc": [true, true, true], "a": 4.90419225, "b": 9.894612970000003, "c": 9.36751279, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.904192057966231,0.0,-0.001372421586793139],[-0.0029044516452038545,8.713857783360103,-4.68743425784591],[0.0,0.0,9.36751279]],"pbc":[true,true,true],"a":4.90419225,"b":9.894612970000003,"c":9.36751279,"alpha":118.27708224,"be... | 0.109656 | 0.237125 | [
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cd-251023-0980fb9794a24c058df9c3b34567aaab | Rb2 Hg1 Se2 | Rb4 Hg2 Se4 | C2/m | 12 | 0.000082 | 2025-11-20 06:30:21 | 1,064 | 1.912185 | 1.9363 | 2.440907 | 0.024115 | 0.504607 | 0.528722 | 0.528722 | -13.382871 | 0.007112 | 0.007566 | 0.015035 | -13.582449 | 0.016125 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.8739484275887035, 0.0, 1.3934809904543857], [-0.3669146053042106, 4.825102425621237, 1.2906078547824091], [0.0, 0.0, 9.27624474]], "pbc": [true, true, true], "a": 5.069236879999999, "b": 5.00818414, "c": 9.27624474, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8739484275887035,0.0,1.3934809904543857],[-0.36691460530421055,4.825102425621237,1.2906078547824091],[0.0,0.0,9.27624474]],"pbc":[true,true,true],"a":5.069236879999999,"b":5.00818414,"c":9.27624474,"alpha":75.06638225,"beta":... | 0.009905 | 0.015035 | [
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cd-251103-96ab5e6b82684f50b154626e0150c6c7 | Cs3 Sb1 Te3 | Cs3 Sb1 Te3 | P31m | 157 | -0.000275 | 2025-11-20 03:04:38 | 1,064 | 2.317923 | 2.646707 | 2.646727 | 0.328785 | 0.000019 | 0.328804 | 0.328804 | -21.639406 | 0.031062 | 0.03255 | 0.032587 | -21.764944 | 0.028598 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.8873473196917105, 0.0, 0.0046899980211809], [0.0094206126350172, 8.076182169912618, 4.674165511608613], [0.0, 0.0, 9.33989905]], "pbc": [true, true, true], "a": 4.8873495700000005, "b": 9.33127164, "c": 9.33989905, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8873473196917105,0.0,0.004689998021180851],[0.00942061263501719,8.076182169912618,4.674165511608613],[0.0,0.0,9.33989905]],"pbc":[true,true,true],"a":4.8873495700000005,"b":9.33127164,"c":9.33989905,"alpha":59.93950535,"beta"... | 0.032067 | 0.032587 | [
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cd-251112-68548de0761c49e6b664b88a5b351e71 | Rb4 Te8 | Rb4 Te8 | Pnma | 62 | -0.000303 | 2025-11-20 08:01:11 | 1,064 | 3.817612 | 3.491045 | 2.985352 | 0.326566 | 0.505694 | 0.83226 | 0.83226 | -34.62259 | 5.977245 | 0.150657 | 0.117155 | -35.945389 | 0.016665 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.524386299446102, 0.0, 0.0003090304507073], [-0.0134231903687537, 8.494404692031223, -0.0293346496092426], [0.0, 0.0, 13.0768943]], "pbc": [true, true, true], "a": 4.52438631, "b": 8.494465950000002, "c": 13.0768943, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.524386299446102,0.0,0.0003090304507072973],[-0.013423190368753737,8.494404692031223,-0.029334649609242626],[0.0,0.0,13.0768943]],"pbc":[true,true,true],"a":4.52438631,"b":8.494465950000002,"c":13.0768943,"alpha":90.1978647,"b... | 2.081686 | 5.977245 | [
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cd-251109-6ed9bb0bec85484da73840495e18739b | Cs3 Ga2 As2 | Cs6 Ga4 As4 | C2/m | 12 | -0.001886 | 2025-11-20 05:20:43 | 1,064 | 3.586724 | 2.877688 | 2.93927 | 0.709036 | 0.061582 | 0.647454 | 0.709036 | -20.585481 | 0.350696 | 0.164577 | 0.187104 | -20.838722 | 0.010222 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.563007692908216, 0.0, -0.0058416196203651], [2.771235231899072, 6.567640968001052, -0.8342199130866691], [0.0, 0.0, 7.32149334]], "pbc": [true, true, true], "a": 5.56301076, "b": 7.177017170000001, "c": 7.32149334, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.563007692908216,0.0,-0.0058416196203651466],[2.771235231899072,6.567640968001052,-0.8342199130866691],[0.0,0.0,7.32149334]],"pbc":[true,true,true],"a":5.56301076,"b":7.177017170000001,"c":7.32149334,"alpha":96.67485763,"beta"... | 0.234126 | 0.350696 | [
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cd-251109-a45bc50786644570bd44180ac626212a | Rb3 Tl3 Te3 | Rb3 Tl3 Te3 | P-62m | 189 | -0.0001 | 2025-11-20 06:00:37 | 1,064 | 2.728402 | 3.169144 | 3.175458 | 0.440742 | 0.006314 | 0.447056 | 0.447056 | -24.93952 | 0.322606 | 0.140259 | 0.141539 | -25.447546 | 0.022149 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.303351141326464, 0.0, -0.0007185163247962], [0.00177319275319, 7.824432814873278, -4.517250713294385], [0.0, 0.0, 9.02901751]], "pbc": [true, true, true], "a": 5.30335119, "b": 9.03478312, "c": 9.02901751, "alpha": 11... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.303351141326464,0.0,-0.000718516324796226],[0.0017731927531899855,7.824432814873278,-4.517250713294385],[0.0,0.0,9.02901751]],"pbc":[true,true,true],"a":5.30335119,"b":9.03478312,"c":9.02901751,"alpha":119.99896862,"beta":90.... | 0.201468 | 0.322606 | [
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cd-251023-ed11ad40c1af49ffa57cfb9390e70be9 | Rb4 Tl2 As2 | Rb4 Tl2 As2 | P2_1/m | 11 | 0.000039 | 2025-11-20 06:37:19 | 1,064 | 4.662137 | 2.853984 | 2.772007 | 1.808152 | 0.081978 | 1.89013 | 1.89013 | -19.847181 | 1.723491 | 0.627158 | 0.680897 | -20.274776 | 0.019298 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.581473104050253, 0.0, 0.0002334892273706], [0.0013418630018112, 6.9257170793064935, -2.0152120858583116], [0.0, 0.0, 10.29213267]], "pbc": [true, true, true], "a": 4.581473110000001, "b": 7.21294937, "c": 10.29213267,... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.581473104050253,0.0,0.0002334892273705659],[0.0013418630018112187,6.9257170793064935,-2.0152120858583116],[0.0,0.0,10.29213267]],"pbc":[true,true,true],"a":4.581473110000001,"b":7.21294937,"c":10.29213267,"alpha":106.2236869,... | 1.010515 | 1.723491 | [
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cd-251112-2f01c2415df045d49e319c9361bbf5e6 | K6 Te2 Se1 | K6 Te2 Se1 | P-62m | 189 | -0.000179 | 2025-11-20 08:11:36 | 1,064 | 2.224144 | 2.20049 | 2.201716 | 0.023654 | 0.001226 | 0.022428 | 0.023654 | -25.317545 | 0.060135 | 0.015951 | 0.015851 | -25.792297 | 0.012569 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.913290498235314, 0.0, 0.001372731313653], [-0.0024255376420039, 7.89044309759028, -4.5384730680033645], [0.0, 0.0, 9.16294089]], "pbc": [true, true, true], "a": 4.913290690000001, "b": 9.10257304, "c": 9.16294089, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.913290498235314,0.0,0.0013727313136530298],[-0.002425537642003945,7.89044309759028,-4.5384730680033645],[0.0,0.0,9.16294089]],"pbc":[true,true,true],"a":4.913290690000001,"b":9.10257304,"c":9.16294089,"alpha":119.90691268,"be... | 0.030646 | 0.060135 | [
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cd-251029-867a413cefc5425eb3abb58b6e171f22 | K10 P2 Se8 | K10 P2 Se8 | Pc | 7 | 0.001112 | 2025-11-20 06:16:23 | 1,064 | 2.251152 | 2.271871 | 2.142413 | 0.020719 | 0.129458 | 0.108739 | 0.129458 | -67.873619 | 0.016858 | 0.017232 | 0.01531 | -68.470688 | 0.019181 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.793671397414425, 0.0, -0.0044433431751218], [3.0325801169267113, 7.920003117206086, -0.0051384169019968], [0.0, 0.0, 9.9173078]], "pbc": [true, true, true], "a": 8.793672519999998, "b": 8.48074395, "c": 9.9173078, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.793671397414425,0.0,-0.004443343175121768],[3.0325801169267113,7.920003117206086,-0.005138416901996798],[0.0,0.0,9.9173078]],"pbc":[true,true,true],"a":8.793672519999998,"b":8.48074395,"c":9.9173078,"alpha":90.03471506999999,... | 0.016467 | 0.017232 | [
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cd-251101-7d224a2a8e034490950d413af13b2532 | Cs1 Te2 | Cs2 Te4 | Cmmm | 65 | -0.006413 | 2025-11-20 03:47:09 | 1,064 | 2.557461 | 2.248606 | 1.944235 | 0.308855 | 0.304371 | 0.613226 | 0.613226 | -8.952422 | 0.030128 | 0.020724 | 0.007098 | -8.992981 | 0.011798 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.215039619525105, 0.0, 0.0003305359009651], [2.6139603602483823, 5.725132930143947, -0.0054117967776398], [0.0, 0.0, 4.89199847]], "pbc": [true, true, true], "a": 5.21503963, "b": 6.29364482, "c": 4.89199847, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.215039619525105,0.0,0.00033053590096514246],[2.6139603602483823,5.725132930143947,-0.005411796777639819],[0.0,0.0,4.89199847]],"pbc":[true,true,true],"a":5.21503963,"b":6.29364482,"c":4.89199847,"alpha":90.04926766000001,"bet... | 0.019316 | 0.030128 | [
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cd-251103-6cc88a19e0bc46f199ae7b681e1842b3 | Cs6 Te3 I1 | Cs6 Te3 I1 | P-6m2 | 187 | -0.000998 | 2025-11-20 03:38:26 | 1,064 | 1.970021 | 1.969186 | 1.700677 | 0.000835 | 0.268508 | 0.269344 | 0.269344 | -25.901107 | 0.031345 | 0.03151 | 0.060858 | -27.038366 | 0.054023 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.867856748182944, 0.0, 0.0009214669695955], [3.435979746935161, 5.9449390520705645, -0.0006297210328172], [0.0, 0.0, 14.81337667]], "pbc": [true, true, true], "a": 6.86785681, "b": 6.86645888, "c": 14.81337667, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.867856748182944,0.0,0.0009214669695954883],[3.435979746935161,5.9449390520705645,-0.000629721032817234],[0.0,0.0,14.81337667]],"pbc":[true,true,true],"a":6.86785681,"b":6.86645888,"c":14.81337667,"alpha":90.00525457999998,"be... | 0.041238 | 0.060858 | [
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cd-251109-4df6c120616a4208ba670c631cc449a6 | Rb4 Ge4 Sb4 | Rb4 Ge4 Sb4 | C2/m | 12 | -0.003855 | 2025-11-20 07:39:12 | 1,064 | 3.771498 | 3.079422 | 3.035417 | 0.692076 | 0.044005 | 0.736081 | 0.736081 | -40.843728 | 0.787843 | 0.696088 | 0.412382 | -42.414726 | 0.064038 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.209491729441204, 0.0, -0.0046157056934099], [0.0117200906289836, 8.563979486647918, -0.4972853681400557], [0.0, 0.0, 12.04584122]], "pbc": [true, true, true], "a": 4.20949426, "b": 8.5784133, "c": 12.04584122, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.209491729441204,0.0,-0.00461570569340993],[0.0117200906289836,8.563979486647918,-0.4972853681400557],[0.0,0.0,12.04584122]],"pbc":[true,true,true],"a":4.20949426,"b":8.5784133,"c":12.04584122,"alpha":93.32326432,"beta":90.062... | 0.632104 | 0.787843 | [
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cd-251023-af8f5224c4244f6ea4acf5381f798aaf | In2 Cu2 Ge2 Se8 | In2 Cu2 Ge2 Se8 | I-4 | 82 | -0.000124 | 2025-11-20 06:05:54 | 1,064 | 3.869505 | 3.869614 | 3.517253 | 0.000109 | 0.352361 | 0.352252 | 0.352361 | -54.669732 | 0.301279 | 0.300017 | 0.246712 | -55.897858 | 0.010277 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.651035128309693, 0.0, -0.0078997824197076], [0.0016687452307935, 5.662243558414508, 0.0076853740130791], [0.0, 0.0, 11.35882099]], "pbc": [true, true, true], "a": 5.6510406500000006, "b": 5.662249019999999, "c": 11.35... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.651035128309693,0.0,-0.007899782419707584],[0.0016687452307934654,5.662243558414508,0.0076853740130791316],[0.0,0.0,11.35882099]],"pbc":[true,true,true],"a":5.6510406500000006,"b":5.662249019999999,"c":11.35882099,"alpha":89.... | 0.282669 | 0.301279 | [
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cd-251109-3f6f6dca381a443a915c449cdb937b81 | Bi1 Se1 I1 | Bi1 Se1 I1 | P3m1 | 156 | 0.005725 | 2025-11-20 08:57:56 | 1,064 | 3.567688 | 3.565765 | 3.074965 | 0.001923 | 0.4908 | 0.492724 | 0.492724 | -10.231138 | 0.055666 | 0.055486 | 0.03174 | -10.211976 | 0.0022 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.272006360208711, 0.0, 0.0355482710193887], [-2.127419263927012, 3.7008748703085774, -0.0422163367961508], [0.0, 0.0, 7.42497564]], "pbc": [true, true, true], "a": 4.27215426, "b": 4.268977600000001, "c": 7.42497564, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.272006360208711,0.0,0.03554827101938874],[-2.127419263927012,3.7008748703085774,-0.04221633679615079],[0.0,0.0,7.42497564]],"pbc":[true,true,true],"a":4.27215426,"b":4.268977600000001,"c":7.42497564,"alpha":90.56661279999999,... | 0.047631 | 0.055666 | [
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cd-251109-15af23bdf10e464fa8467ad74773999f | K2 Sb2 Te4 | K2 Sb2 Te4 | P2_1/m | 11 | -0.000427 | 2025-11-20 10:30:59 | 1,064 | 5.1074 | 3.115478 | 3.967937 | 1.991921 | 0.852459 | 1.139462 | 1.991921 | -27.019991 | 0.320829 | 0.401255 | 0.190074 | -27.114273 | 0.034879 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.505666177343952, 0.0, 0.002406488657254], [0.0197372197629866, 6.996059999898542, -0.6666974139209254], [0.0, 0.0, 9.96438008]], "pbc": [true, true, true], "a": 4.50566682, "b": 7.02778276, "c": 9.96438008, "alpha": 9... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.505666177343952,0.0,0.0024064886572539796],[0.019737219762986636,6.996059999898542,-0.6666974139209254],[0.0,0.0,9.96438008]],"pbc":[true,true,true],"a":4.50566682,"b":7.02778276,"c":9.96438008,"alpha":95.4436055,"beta":89.96... | 0.304052 | 0.401255 | [
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cd-251030-53bb1dac97ba4187b042d7779697bf20 | K3 Te4 As2 | K6 Te8 As4 | C2/m | 12 | -0.001963 | 2025-11-20 04:25:32 | 1,064 | 2.478864 | 4.005887 | 2.719892 | 1.527023 | 1.285995 | 0.241029 | 1.527023 | -29.8181 | 0.646425 | 0.74755 | 0.395494 | -30.441975 | 0.036356 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.464331063882073, 0.0, 0.0008243975143237], [-0.0133839193950515, 8.071854773771014, -4.481711409598245], [0.0, 0.0, 8.99335759]], "pbc": [true, true, true], "a": 4.46433114, "b": 9.23259204, "c": 8.99335759, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.464331063882073,0.0,0.0008243975143237091],[-0.013383919395051501,8.071854773771014,-4.481711409598245],[0.0,0.0,8.99335759]],"pbc":[true,true,true],"a":4.46433114,"b":9.23259204,"c":8.99335759,"alpha":119.04018201000001,"bet... | 0.59649 | 0.74755 | [
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cd-251109-8aab9824582f4f1eb16ba01a60b6ce32 | Cs4 Ga1 As2 | Cs8 Ga2 As4 | C2/m | 12 | 0.001914 | 2025-11-20 10:55:40 | 1,064 | 2.066786 | 2.485918 | 2.17454 | 0.419132 | 0.311378 | 0.107754 | 0.419132 | -18.151694 | 0.207375 | 0.722972 | 0.534159 | -18.42387 | 0.022484 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.656507167829173, 0.0, 2.101593573239029], [2.040222369530742, 7.696977212580165, 3.167373164984395], [0.0, 0.0, 8.68759569]], "pbc": [true, true, true], "a": 6.03429937, "b": 8.56961016, "c": 8.68759569, "alpha": 68.3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.656507167829173,0.0,2.101593573239029],[2.040222369530742,7.696977212580165,3.167373164984395],[0.0,0.0,8.68759569]],"pbc":[true,true,true],"a":6.03429937,"b":8.56961016,"c":8.68759569,"alpha":68.30872403999999,"beta":69.6181... | 0.488169 | 0.722972 | [
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cd-251112-bfcff6e28d21483e82ce293339312e04 | K2 Rb2 Se6 | K2 Rb2 Se6 | Pmc2_1 | 26 | -0.002349 | 2025-11-20 09:00:54 | 1,064 | 1.812491 | 2.632565 | 2.224365 | 0.820074 | 0.4082 | 0.411874 | 0.820074 | -32.54646 | 0.064221 | 0.04583 | 0.024479 | -33.016003 | 0.046259 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.63006483465777, 0.0, 0.0003769231214037], [0.0030899220558213, 8.326303048492324, 0.0063194728716911], [0.0, 0.0, 9.73851278]], "pbc": [true, true, true], "a": 4.630064850000001, "b": 8.32630602, "c": 9.73851278, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.63006483465777,0.0,0.00037692312140365886],[0.0030899220558212614,8.326303048492324,0.006319472871691078],[0.0,0.0,9.73851278]],"pbc":[true,true,true],"a":4.630064850000001,"b":8.32630602,"c":9.73851278,"alpha":89.95651383000... | 0.044843 | 0.064221 | [
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cd-251112-aadd38427cae4c5abcaed6296948fdb1 | Rb3 Tl3 Te3 | Rb3 Tl3 Te3 | P-62m | 189 | -0.000101 | 2025-11-20 07:16:28 | 1,064 | 2.786591 | 3.20648 | 3.209226 | 0.419889 | 0.002746 | 0.422635 | 0.422635 | -24.939871 | 0.319512 | 0.137893 | 0.138678 | -25.447565 | 0.023136 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.304699442972525, 0.0, -0.0009608897955998], [0.0001311570551045, 7.817117997158231, -4.514995814833251], [0.0, 0.0, 9.02608321]], "pbc": [true, true, true], "a": 5.304699529999999, "b": 9.02732081, "c": 9.02608321, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.304699442972525,0.0,-0.0009608897955997792],[0.00013115705510453746,7.817117997158231,-4.514995814833251],[0.0,0.0,9.02608321]],"pbc":[true,true,true],"a":5.304699529999999,"b":9.02732081,"c":9.02608321,"alpha":120.0097874400... | 0.198694 | 0.319512 | [
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cd-251023-1789fc2dd8054c32b43a5d0e7bf5ab8e | Na2 Se6 | Na2 Se6 | P-1 | 2 | -0.000358 | 2025-11-20 02:47:26 | 1,064 | 2.423307 | 3.221016 | 3.404389 | 0.797709 | 0.183373 | 0.981082 | 0.981082 | -26.837926 | 0.746604 | 0.256596 | 0.569089 | -26.529667 | 0.084418 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.1704448350616286, 0.0, -0.0569826134914283], [-0.049626915155408, 5.964120202364546, 0.739906416490941], [0.0, 0.0, 6.34386065]], "pbc": [true, true, true], "a": 6.17070794, "b": 6.0100461, "c": 6.34386065, "alpha": 8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.1704448350616286,0.0,-0.05698261349142827],[-0.04962691515540802,5.964120202364546,0.739906416490941],[0.0,0.0,6.34386065]],"pbc":[true,true,true],"a":6.17070794,"b":6.0100461,"c":6.34386065,"alpha":82.92828365,"beta":90.5290... | 0.524096 | 0.746604 | [
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cd-251109-cefc5921cf8d44159b5682a2466a2f5b | Cs3 As2 Se2 | Cs3 As2 Se2 | P2/m | 10 | 0.002872 | 2025-11-20 07:48:53 | 1,064 | 1.97171 | 2.485682 | 3.175993 | 0.513971 | 0.690311 | 1.204283 | 1.204283 | -23.803911 | 0.08026 | 0.244158 | 0.37859 | -24.101568 | 0.02497 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.875217664458417, 0.0, -0.0003892777931506], [-0.0047377484203467, 7.691382989816787, -5.410456972792378], [0.0, 0.0, 8.44265678]], "pbc": [true, true, true], "a": 4.87521768, "b": 9.40374603, "c": 8.44265678, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.875217664458417,0.0,-0.00038927779315063924],[-0.004737748420346652,7.691382989816787,-5.410456972792378],[0.0,0.0,8.44265678]],"pbc":[true,true,true],"a":4.87521768,"b":9.40374603,"c":8.44265678,"alpha":125.12423371000001,"b... | 0.234336 | 0.37859 | [
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cd-251109-78259c537e9743f7acdbbc2f5a8ab84d | Rb1 Sb4 | Rb2 Sb8 | Cmmm | 65 | -0.002005 | 2025-11-20 08:54:10 | 1,064 | 3.013967 | 3.415458 | 2.80815 | 0.401491 | 0.607309 | 0.205817 | 0.607309 | -17.942875 | 0.339851 | 0.211084 | 0.527073 | -18.40868 | 0.017561 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.343414622075402, 0.0, 0.0266445447611077], [4.85173132000082, 4.1069008414576285, 0.0267129287698819], [0.0, 0.0, 7.94943284]], "pbc": [true, true, true], "a": 6.343470580000001, "b": 6.35662213, "c": 7.94943284, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.343414622075402,0.0,0.026644544761107652],[4.85173132000082,4.1069008414576285,0.026712928769881936],[0.0,0.0,7.94943284]],"pbc":[true,true,true],"a":6.343470580000001,"b":6.35662213,"c":7.94943284,"alpha":89.75922076999998,"... | 0.359336 | 0.527073 | [
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cd-251103-2d18f0c20d4e4238a0695982af234084 | Rb3 B1 Se3 | Rb3 B1 Se3 | P-62m | 189 | -0.001688 | 2025-11-20 05:00:10 | 1,064 | 1.87761 | 2.154251 | 2.153183 | 0.276642 | 0.001068 | 0.275574 | 0.276642 | -26.256428 | 0.004181 | 0.009887 | 0.009892 | -26.391506 | 0.013234 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.737292093865141, 0.0, -0.0011766762735686], [0.0004382043750405, 6.80616466265471, 3.927031614138355], [0.0, 0.0, 7.8185961]], "pbc": [true, true, true], "a": 4.73729224, "b": 7.85782762, "c": 7.8185961, "alpha": 60.0... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.737292093865141,0.0,-0.0011766762735685925],[0.0004382043750405142,6.80616466265471,3.927031614138355],[0.0,0.0,7.8185961]],"pbc":[true,true,true],"a":4.73729224,"b":7.85782762,"c":7.8185961,"alpha":60.01584600000001,"beta":9... | 0.007987 | 0.009892 | [
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cd-251101-bc4029bc4e0c4b198c4741639a6555cd | K3 Tl3 Te3 | K3 Tl3 Te3 | P-62m | 189 | -0.000431 | 2025-11-20 04:12:58 | 1,064 | 2.504541 | 3.1848 | 3.188934 | 0.68026 | 0.004133 | 0.684393 | 0.684393 | -25.201646 | 0.601767 | 0.39756 | 0.406076 | -25.832802 | 0.008993 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.977559732409449, 0.0, -0.0023133911142432], [-1.17731773334e-05, 7.873882794804444, -4.556008129409988], [0.0, 0.0, 9.093157]], "pbc": [true, true, true], "a": 4.97756027, "b": 9.09699073, "c": 9.093157, "alpha": 120.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.977559732409449,0.0,-0.0023133911142432],[-0.000011773177333360023,7.873882794804444,-4.556008129409988],[0.0,0.0,9.093157]],"pbc":[true,true,true],"a":4.97756027,"b":9.09699073,"c":9.093157,"alpha":120.05465296000004,"beta":... | 0.468468 | 0.601767 | [
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cd-251023-ee576ede0b994071b730c19891c9cb32 | Cs2 Sb4 | Cs4 Sb8 | C2/m | 12 | -0.000708 | 2025-11-20 02:34:24 | 1,064 | 3.048958 | 2.959108 | 2.93972 | 0.08985 | 0.019388 | 0.109238 | 0.109238 | -19.838145 | 0.630035 | 0.720014 | 0.680847 | -20.226524 | 0.045117 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.666789464732266, 0.0, 1.665152288515979], [1.8570515113829633, 7.089222811454371, 2.6667041631614485], [0.0, 0.0, 7.85823683]], "pbc": [true, true, true], "a": 4.954962769999999, "b": 7.798527520000001, "c": 7.8582368... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.666789464732266,0.0,1.665152288515979],[1.8570515113829633,7.089222811454371,2.6667041631614485],[0.0,0.0,7.85823683]],"pbc":[true,true,true],"a":4.954962769999999,"b":7.798527520000001,"c":7.85823683,"alpha":70.0042949400000... | 0.676965 | 0.720014 | [
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cd-251109-83e946267f3e4b169b873f7fe9437122 | K2 Tl2 Se6 | K2 Tl2 Se6 | Pmma | 51 | 0.000266 | 2025-11-20 05:13:01 | 1,064 | 2.263697 | 4.541781 | 2.508318 | 2.278085 | 2.033463 | 0.244621 | 2.278085 | -32.337583 | 0.527942 | 1.661529 | 0.362574 | -32.838997 | 0.006981 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.396959373003554, 0.0, 0.0007675684394002], [-0.0008904936152483, 7.527029191946499, 0.0151394836080822], [0.0, 0.0, 9.84740751]], "pbc": [true, true, true], "a": 4.396959440000001, "b": 7.527044469999999, "c": 9.84740... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.396959373003554,0.0,0.0007675684394002292],[-0.00089049361524825,7.527029191946499,0.01513948360808222],[0.0,0.0,9.84740751]],"pbc":[true,true,true],"a":4.396959440000001,"b":7.527044469999999,"c":9.84740751,"alpha":89.884758... | 0.850681 | 1.661529 | [
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cd-251112-9ca757da979d454baa9af41301063563 | Cs1 Bi2 | Cs1 Bi2 | P6/mmm | 191 | 0.00007 | 2025-11-20 07:04:28 | 1,064 | 3.442233 | 3.926044 | 2.308797 | 0.483811 | 1.617247 | 1.133436 | 1.617247 | -9.479173 | 4.883182 | 4.622847 | 0.044071 | -9.433176 | 0.005421 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.421647719096001, 0.0, -9.90067690375e-05], [2.729856390366388, 4.718107924895714, 0.0027531252899032], [0.0, 0.0, 5.77145581]], "pbc": [true, true, true], "a": 5.421647720000001, "b": 5.45093257, "c": 5.77145581, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.421647719096001,0.0,-0.00009900676903746158],[2.729856390366388,4.718107924895714,0.0027531252899032255],[0.0,0.0,5.77145581]],"pbc":[true,true,true],"a":5.421647720000001,"b":5.45093257,"c":5.77145581,"alpha":89.97106138,"be... | 3.183367 | 4.883182 | [
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cd-251112-d8625dd005e245f3bb8048b70359e3d4 | B2 Se6 | B2 Se6 | P1 | 1 | 0.00061 | 2025-11-20 08:18:42 | 1,064 | 1.435048 | 2.68917 | 1.945509 | 1.254122 | 0.743662 | 0.51046 | 1.254122 | -34.536603 | 0.715307 | 0.331719 | 0.062477 | -34.709175 | 0.08444 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2967885225234816, 0.0, -0.1175417751709469], [-1.6149487382483916, 9.319954984822504, 0.9025956248052617], [0.0, 0.0, 13.72163612]], "pbc": [true, true, true], "a": 3.29888324, "b": 9.50180505, "c": 13.72163612, "alph... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2967885225234816,0.0,-0.11754177517094692],[-1.6149487382483916,9.319954984822504,0.9025956248052617],[0.0,0.0,13.72163612]],"pbc":[true,true,true],"a":3.29888324,"b":9.50180505,"c":13.72163612,"alpha":84.54913966999999,"beta... | 0.369835 | 0.715307 | [
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cd-251029-106595023b584151aa1a893ec2885c7c | Rb3 B1 O3 | Rb6 B2 O6 | Cm | 8 | -0.001044 | 2025-11-20 10:57:05 | 1,064 | 1.645783 | 1.691776 | 1.691362 | 0.045993 | 0.000414 | 0.045579 | 0.045993 | -37.439104 | 0.001732 | 0.002483 | 0.002513 | -37.476669 | 0.00613 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9282470798655065, 0.0, -1.1889492674983404], [-1.0428700838614822, 5.634784054805012, -3.0515617647467663], [0.0, 0.0, 6.828158]], "pbc": [true, true, true], "a": 4.10423263, "b": 6.492333829999999, "c": 6.828158, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9282470798655065,0.0,-1.1889492674983404],[-1.0428700838614822,5.634784054805012,-3.0515617647467663],[0.0,0.0,6.828158]],"pbc":[true,true,true],"a":4.10423263,"b":6.492333829999999,"c":6.828158,"alpha":118.03594491000001,"be... | 0.002242 | 0.002513 | [
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cd-251023-7acf33db5892444a98eaef9b35f1bf32 | Rb2 Se2 | Rb4 Se4 | C2/m | 12 | -0.000061 | 2025-11-20 06:34:19 | 1,064 | 2.247709 | 1.990292 | 2.209639 | 0.257417 | 0.219347 | 0.03807 | 0.257417 | -12.37873 | 0.118298 | 0.133272 | 0.047994 | -12.698223 | 0.048624 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.132369666478817, 0.0, -0.5329840593377306], [-0.1736005572238877, 4.453865012486073, -1.6543325347573856], [0.0, 0.0, 6.73878003]], "pbc": [true, true, true], "a": 5.15997, "b": 4.75435241, "c": 6.73878003, "alpha": 1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.132369666478817,0.0,-0.5329840593377306],[-0.17360055722388767,4.453865012486073,-1.6543325347573856],[0.0,0.0,6.73878003]],"pbc":[true,true,true],"a":5.15997,"b":4.75435241,"c":6.73878003,"alpha":110.362694,"beta":95.9287751... | 0.099855 | 0.133272 | [
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cd-251109-ed1e0a28972b42eb8f36fc12a41265f7 | K4 Te2 Se4 | K4 Te2 Se4 | Immm | 71 | -0.001624 | 2025-11-20 05:38:33 | 1,064 | 4.472337 | 4.075186 | 2.055347 | 0.397151 | 2.019839 | 2.41699 | 2.41699 | -32.561522 | 0.159357 | 1.124562 | 0.015837 | -32.661381 | 0.006424 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.281157364010403, 0.0, 0.0002264615133897], [0.002632186726926, 7.701444362522718, -0.0020680534769581], [0.0, 0.0, 9.76878533]], "pbc": [true, true, true], "a": 4.28115737, "b": 7.70144509, "c": 9.76878533, "alpha": 9... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.281157364010403,0.0,0.00022646151338967884],[0.0026321867269259924,7.701444362522718,-0.0020680534769580727],[0.0,0.0,9.76878533]],"pbc":[true,true,true],"a":4.28115737,"b":7.70144509,"c":9.76878533,"alpha":90.01538552,"beta"... | 0.433252 | 1.124562 | [
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cd-251109-dfb11ebc22654b24a945d48397df8202 | Na6 Sb2 | Na6 Sb2 | P6_3/m | 176 | -0.000844 | 2025-11-20 05:29:41 | 1,064 | 2.87567 | 3.486322 | 3.520559 | 0.610652 | 0.034236 | 0.644888 | 0.644888 | -19.107032 | 0.289793 | 0.921272 | 0.93826 | -19.575397 | 0.034791 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.872842524050703, 0.0, -0.0006691841171317], [-0.0021497945780832, 7.174657742761072, 4.068510588727792], [0.0, 0.0, 8.21209436]], "pbc": [true, true, true], "a": 4.87284257, "b": 8.247938939999997, "c": 8.21209436, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.872842524050703,0.0,-0.0006691841171316963],[-0.0021497945780832163,7.174657742761072,4.068510588727792],[0.0,0.0,8.21209436]],"pbc":[true,true,true],"a":4.87284257,"b":8.247938939999997,"c":8.21209436,"alpha":60.443865979999... | 0.716442 | 0.93826 | [
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cd-251109-f653b22f8bd14b49b09b26712372aa5c | Rb1 Bi1 Te2 | Rb3 Bi3 Te6 | R-3m | 166 | 0.000073 | 2025-11-20 09:20:05 | 1,064 | 4.692444 | 4.755774 | 3.575485 | 0.06333 | 1.180289 | 1.116959 | 1.180289 | -13.571319 | 0.623161 | 0.649453 | 0.129213 | -13.537477 | 0.008446 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.476333948132256, 0.0, 1.2246111636465231], [2.400720208678465, 3.9719396580063915, 0.0232982392796254], [0.0, 0.0, 9.00546201]], "pbc": [true, true, true], "a": 4.640823, "b": 4.64115341, "c": 9.00546201, "alpha": 89.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.476333948132256,0.0,1.2246111636465231],[2.400720208678465,3.9719396580063915,0.02329823927962536],[0.0,0.0,9.00546201]],"pbc":[true,true,true],"a":4.640823,"b":4.64115341,"c":9.00546201,"alpha":89.71237831,"beta":74.69970504... | 0.467276 | 0.649453 | [
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0.0419665... | 1 | 1 | 0.970216 | 0.389164 | 0.975057 | 0.377072 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
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