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cd-251023-a0109fbb531045a5854612c0c17cb3b4 | Hf5 Mg1 N6 | Hf5 Mg1 N6 | P2/m | 10 | -0.000002 | 2025-11-22 21:06:13 | 1,064 | 1.946329 | 1.265921 | 2.549633 | 0.680408 | 1.283712 | 0.603304 | 1.283712 | -121.618296 | 1.718312 | 7.141719 | 5.407053 | -121.194489 | 0.005448 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.196943488797506, 0.0, -8.76847259464e-05], [-9.47195115955e-05, 5.52503957217798, 0.0192506555902634], [0.0, 0.0, 7.83031946]], "pbc": [true, true, true], "a": 3.19694349, "b": 5.52507311, "c": 7.83031946, "alpha": 89... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.196943488797506,0.0,-0.00008768472594644911],[-0.00009471951159549547,5.52503957217798,0.01925065559026339],[0.0,0.0,7.83031946]],"pbc":[true,true,true],"a":3.19694349,"b":5.52507311,"c":7.83031946,"alpha":89.80036761,"beta":... | 4.755695 | 7.141719 | [
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cd-251023-99168531afba4727b9eec79ce502e151 | Cs1 In2 As2 | Cs1 In2 As2 | P-3m1 | 164 | 0.002522 | 2025-11-23 05:53:01 | 1,064 | 3.68784 | 3.710823 | 3.150162 | 0.022984 | 0.560661 | 0.537677 | 0.560661 | -16.902573 | 0.419595 | 0.404115 | 0.589509 | -17.233555 | 0.01437 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.802403899787383, 0.0, 0.0391946499216898], [-2.370181924032965, 4.194478925852748, -0.0266242137974419], [0.0, 0.0, 8.47852673]], "pbc": [true, true, true], "a": 4.80256384, "b": 4.81789629, "c": 8.47852673, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.802403899787383,0.0,0.03919464992168979],[-2.370181924032965,4.194478925852748,-0.02662421379744194],[0.0,0.0,8.47852673]],"pbc":[true,true,true],"a":4.80256384,"b":4.81789629,"c":8.47852673,"alpha":90.31662426000001,"beta":8... | 0.471073 | 0.589509 | [
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cd-251023-86a4844caf254717abe1e1c9b4aa5284 | Rb5 As6 | Rb5 As6 | P-6 | 174 | -0.001318 | 2025-11-22 23:20:48 | 1,064 | 2.400216 | 2.157592 | 2.158009 | 0.242624 | 0.000417 | 0.242207 | 0.242624 | -36.75245 | 0.132051 | 0.13712 | 0.137488 | -37.385273 | 0.025793 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.056351855119776, 0.0, -0.0043801344912149], [0.002404207985172, 9.227486907198951, -5.333917822679833], [0.0, 0.0, 10.68492689]], "pbc": [true, true, true], "a": 4.05635422, "b": 10.65819871, "c": 10.68492689, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.056351855119776,0.0,-0.004380134491214908],[0.0024042079851719954,9.227486907198951,-5.333917822679833],[0.0,0.0,10.68492689]],"pbc":[true,true,true],"a":4.05635422,"b":10.65819871,"c":10.68492689,"alpha":120.02991456,"beta":... | 0.135553 | 0.137488 | [
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cd-251023-1c6b768c12f14631922b8d2aeb509fa8 | Rb4 Sn2 Sb2 | Rb4 Sn2 Sb2 | Pmc2_1 | 26 | 0.003044 | 2025-11-22 21:29:11 | 1,064 | 3.761371 | 2.919724 | 2.618693 | 0.841647 | 0.301031 | 1.142678 | 1.142678 | -22.327172 | 0.248619 | 0.509791 | 0.348934 | -22.707085 | 0.014982 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4100023094969245, 0.0, -0.0060649710453202], [0.0233939452244026, 7.381197524225118, -0.0007034280793871], [0.0, 0.0, 10.73145221]], "pbc": [true, true, true], "a": 4.41000648, "b": 7.38123463, "c": 10.73145221, "alph... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4100023094969245,0.0,-0.00606497104532018],[0.023393945224402597,7.381197524225118,-0.0007034280793871202],[0.0,0.0,10.73145221]],"pbc":[true,true,true],"a":4.41000648,"b":7.38123463,"c":10.73145221,"alpha":90.00546026,"beta"... | 0.369115 | 0.509791 | [
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cd-251023-ffbdba42a1234f719fbead648426f890 | Rb4 Sn2 Te4 | Rb4 Sn2 Te4 | P2_1/m | 11 | 0.000775 | 2025-11-22 21:29:43 | 1,064 | 0.710529 | 2.808265 | 2.627396 | 2.097736 | 0.180869 | 1.916867 | 2.097736 | -31.637073 | 2.22278 | 0.362288 | 0.521067 | -32.05093 | 0.030172 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.453841341516659, 0.0, 0.0146508374915505], [0.0120514271601428, 8.009640644627332, -4.371440245237117], [0.0, 0.0, 10.32743193]], "pbc": [true, true, true], "a": 5.45386102, "b": 9.124909770000002, "c": 10.32743193, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.453841341516659,0.0,0.014650837491550453],[0.012051427160142772,8.009640644627332,-4.371440245237117],[0.0,0.0,10.32743193]],"pbc":[true,true,true],"a":5.45386102,"b":9.124909770000002,"c":10.32743193,"alpha":118.62446326,"be... | 1.035378 | 2.22278 | [
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0.0... | 1 | 1 | 0.812993 | 0.112893 | 0.838018 | 0.112041 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-0ee63f046a2f497bafe99bafdd1a1621 | Rb4 Se4 | Rb4 Se4 | C2/m | 12 | -0.000026 | 2025-11-23 01:38:48 | 1,064 | 2.218953 | 2.119857 | 2.061778 | 0.099096 | 0.058079 | 0.157175 | 0.157175 | -24.747968 | 0.112035 | 0.094299 | 0.102606 | -25.396152 | 0.049107 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.164409064464653, 0.0, -0.3688799629675942], [0.5085403668408671, 6.292099091366071, -2.45263859559588], [0.0, 0.0, 9.520471]], "pbc": [true, true, true], "a": 5.17756636, "b": 6.772337880000001, "c": 9.520471, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.164409064464653,0.0,-0.36887996296759423],[0.5085403668408671,6.292099091366071,-2.45263859559588],[0.0,0.0,9.520471]],"pbc":[true,true,true],"a":5.17756636,"b":6.772337880000001,"c":9.520471,"alpha":111.2326244,"beta":94.085... | 0.10298 | 0.112035 | [
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cd-251023-2e06d6171aef45fb9aad6493fffba343 | K4 Sn2 As2 | K4 Sn2 As2 | P2_1/m | 11 | 0.001561 | 2025-11-22 21:15:30 | 1,064 | 3.728271 | 2.674169 | 2.637711 | 1.054102 | 0.036458 | 1.09056 | 1.09056 | -24.063533 | 0.183584 | 0.592857 | 0.504794 | -24.636347 | 0.018593 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.197937256850867, 0.0, -0.0081148109914531], [0.017475379910434, 6.641588976784748, -1.7644893251478044], [0.0, 0.0, 10.20742537]], "pbc": [true, true, true], "a": 4.1979451, "b": 6.8720035, "c": 10.20742537, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.197937256850867,0.0,-0.008114810991453135],[0.01747537991043397,6.641588976784748,-1.7644893251478044],[0.0,0.0,10.20742537]],"pbc":[true,true,true],"a":4.1979451,"b":6.8720035,"c":10.20742537,"alpha":104.87818926,"beta":90.1... | 0.427078 | 0.592857 | [
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cd-251023-5964aa999818469289ce7d413de32ae7 | K3 As5 | K3 As5 | P1 | 1 | -0.0008 | 2025-11-23 05:00:40 | 1,064 | 2.092637 | 2.422628 | 1.703819 | 0.329991 | 0.718809 | 0.388818 | 0.718809 | -29.321571 | 0.266888 | 0.197554 | 0.354116 | -29.593222 | 0.033329 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.313528849888523, 0.0, 2.1113141232860473], [-1.5222962071851192, 6.2144706268255865, -2.02069787686909], [0.0, 0.0, 6.61815749]], "pbc": [true, true, true], "a": 6.657198650000001, "b": 6.70971317, "c": 6.61815749, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.313528849888523,0.0,2.1113141232860473],[-1.5222962071851192,6.2144706268255865,-2.02069787686909],[0.0,0.0,6.61815749]],"pbc":[true,true,true],"a":6.657198650000001,"b":6.70971317,"c":6.61815749,"alpha":107.52729463,"beta":7... | 0.272853 | 0.354116 | [
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cd-251023-99bc880ce3b2427ba8c550237e2457a3 | Li2 Ge1 Se3 | Li4 Ge2 Se6 | Amm2 | 38 | -0.00154 | 2025-11-23 05:16:57 | 1,064 | 2.675551 | 3.28032 | 3.108542 | 0.604769 | 0.171778 | 0.432992 | 0.604769 | -23.509823 | 0.592682 | 0.23388 | 0.111966 | -23.583097 | 0.009849 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.801749545919448, 0.0, -0.0130168153869705], [-0.0109376715076519, 5.5243786967926045, -3.5598392203887266], [0.0, 0.0, 6.57248805]], "pbc": [true, true, true], "a": 3.8017718299999994, "b": 6.572011479999999, "c": 6.5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.801749545919448,0.0,-0.013016815386970486],[-0.010937671507651948,5.5243786967926045,-3.5598392203887266],[0.0,0.0,6.57248805]],"pbc":[true,true,true],"a":3.8017718299999994,"b":6.572011479999999,"c":6.57248805,"alpha":122.79... | 0.312842 | 0.592682 | [
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0.0376... | 1 | 1 | 0.283204 | 0.11984 | 0.283991 | 0.114307 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-b6d49e37e94d40238d4f4049d6fa00e8 | Cs8 Sb8 | Cs4 Sb4 | P-1 | 2 | -0.000177 | 2025-11-22 23:31:11 | 1,064 | 3.064453 | 2.952535 | 2.460798 | 0.111918 | 0.491737 | 0.603655 | 0.603655 | -46.214678 | 0.52409 | 0.830337 | 0.891418 | -46.89706 | 0.036229 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.210122174394425, 0.0, -0.0564969619697085], [1.4812708604603955, 7.42742154510852, -0.918437149893557], [0.0, 0.0, 14.32573847]], "pbc": [true, true, true], "a": 7.21034352, "b": 7.62917302, "c": 14.32573847, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.210122174394425,0.0,-0.05649696196970853],[1.4812708604603955,7.42742154510852,-0.918437149893557],[0.0,0.0,14.32573847]],"pbc":[true,true,true],"a":7.21034352,"b":7.62917302,"c":14.32573847,"alpha":96.91431615,"beta":90.4489... | 0.748615 | 0.891418 | [
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cd-251023-747aecb2d8654b8c98535ea841fe001f | K4 Ge2 Sb2 | K4 Ge2 Sb2 | P2_1/m | 11 | 0.000835 | 2025-11-22 23:29:06 | 1,064 | 4.004639 | 2.64376 | 2.658447 | 1.360878 | 0.014687 | 1.346192 | 1.360878 | -23.839974 | 0.20058 | 0.458551 | 0.366116 | -24.30183 | 0.011087 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.221586883531111, 0.0, -0.0037957892818219], [0.003753517745248, 6.7063038355734115, -1.8134570115952147], [0.0, 0.0, 10.33945887]], "pbc": [true, true, true], "a": 4.2215885900000005, "b": 6.9471686, "c": 10.33945887,... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.221586883531111,0.0,-0.0037957892818218904],[0.0037535177452480187,6.7063038355734115,-1.8134570115952147],[0.0,0.0,10.33945887]],"pbc":[true,true,true],"a":4.2215885900000005,"b":6.9471686,"c":10.33945887,"alpha":105.1315086... | 0.341749 | 0.458551 | [
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cd-251023-8ee4c6daca0c4a539a27ba5632750c67 | Rb3 Te4 As2 | Rb6 Te8 As4 | C2/m | 12 | -0.001374 | 2025-11-23 01:03:56 | 1,064 | 2.417494 | 3.555107 | 2.593427 | 1.137613 | 0.96168 | 0.175933 | 1.137613 | -29.531925 | 0.340849 | 0.527242 | 0.427041 | -30.051214 | 0.027113 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.596827643661661, 0.0, -0.0343241850960175], [0.0042635332189526, 8.23883304307065, -4.6010610740824625], [0.0, 0.0, 9.21401212]], "pbc": [true, true, true], "a": 4.59695579, "b": 9.43653279, "c": 9.21401212, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.596827643661661,0.0,-0.03432418509601745],[0.004263533218952646,8.23883304307065,-4.6010610740824625],[0.0,0.0,9.21401212]],"pbc":[true,true,true],"a":4.59695579,"b":9.43653279,"c":9.21401212,"alpha":119.1816208,"beta":90.427... | 0.43171 | 0.527242 | [
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cd-251023-85a5c382438745618ac662d279bdc535 | K1 Ag1 Hg1 Se2 | K1 Ag1 Hg1 Se2 | P3m1 | 156 | 0.000024 | 2025-11-22 23:08:46 | 1,064 | 3.24499 | 3.242818 | 3.045044 | 0.002172 | 0.197774 | 0.199946 | 0.199946 | -13.458875 | 0.453499 | 0.449409 | 0.264183 | -13.77179 | 0.008183 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.542463899455129, 0.0, 0.0075657144375057], [-2.270020278039575, 3.934069975990602, -0.0041418857614869], [0.0, 0.0, 8.12046753]], "pbc": [true, true, true], "a": 4.5424702, "b": 4.54201671, "c": 8.12046753, "alpha": 9... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.542463899455129,0.0,0.007565714437505722],[-2.270020278039575,3.934069975990602,-0.0041418857614868515],[0.0,0.0,8.12046753]],"pbc":[true,true,true],"a":4.5424702,"b":4.54201671,"c":8.12046753,"alpha":90.05224828999998,"beta"... | 0.38903 | 0.453499 | [
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cd-251023-6a846d4352c04218a7b5837541a87370 | Cs3 Te4 As2 | Cs3 Te4 As2 | P2/m | 10 | -0.001051 | 2025-11-23 05:09:51 | 1,064 | 2.414105 | 3.215245 | 2.5847 | 0.801139 | 0.630545 | 0.170595 | 0.801139 | -29.424048 | 0.239799 | 0.750332 | 0.609568 | -29.972933 | 0.027044 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.758154151807712, 0.0, -0.0002792137724696], [0.0028471071788755, 8.755504906811993, -0.0061076450522124], [0.0, 0.0, 9.44859813]], "pbc": [true, true, true], "a": 4.758154159999999, "b": 8.7555075, "c": 9.44859813, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.758154151807712,0.0,-0.0002792137724695943],[0.002847107178875517,8.755504906811993,-0.00610764505221239],[0.0,0.0,9.44859813]],"pbc":[true,true,true],"a":4.758154159999999,"b":8.7555075,"c":9.44859813,"alpha":90.039968250000... | 0.533233 | 0.750332 | [
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cd-251023-4100570e3d4a49fa952119d494dcde6d | K2 Na4 As2 | K2 Na4 As2 | P2_1/m | 11 | -0.001817 | 2025-11-22 23:46:35 | 1,064 | 2.658631 | 2.637047 | 2.305053 | 0.021584 | 0.331994 | 0.353578 | 0.353578 | -19.573053 | 0.483858 | 1.095088 | 1.394371 | -20.155226 | 0.043607 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.894539232209264, 0.0, -0.0016784535088717], [0.0005425298028798, 6.835345102231634, -4.525823616205608], [0.0, 0.0, 7.81484089]], "pbc": [true, true, true], "a": 4.89453952, "b": 8.19786694, "c": 7.81484089, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.894539232209264,0.0,-0.0016784535088716548],[0.0005425298028798097,6.835345102231634,-4.525823616205608],[0.0,0.0,7.81484089]],"pbc":[true,true,true],"a":4.89453952,"b":8.19786694,"c":7.81484089,"alpha":123.50936796,"beta":90... | 0.991106 | 1.394371 | [
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cd-251023-fc3c8d29d2b24bffa9938afd01fb3d5f | Rb2 P2 Se6 | Rb4 P4 Se12 | C2/m | 12 | -0.000472 | 2025-11-23 03:48:20 | 1,064 | 2.480075 | 2.788091 | 2.803003 | 0.308015 | 0.014913 | 0.322928 | 0.322928 | -38.655043 | 0.068365 | 0.108856 | 0.123403 | -38.848087 | 0.013653 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.071570972709235, 0.0, -0.4238483596061416], [0.4144006086187546, 7.458707830763939, -1.4318649902981324], [0.0, 0.0, 7.5680299]], "pbc": [true, true, true], "a": 6.08634714, "b": 7.60620061, "c": 7.5680299, "alpha": 1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.071570972709235,0.0,-0.42384835960614164],[0.41440060861875455,7.458707830763939,-1.4318649902981324],[0.0,0.0,7.5680299]],"pbc":[true,true,true],"a":6.08634714,"b":7.60620061,"c":7.5680299,"alpha":100.85065634,"beta":93.9932... | 0.100208 | 0.123403 | [
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cd-251023-850dc9f1b9af4bf9bcb211923e95a691 | Cs4 Ge2 Te6 | Cs4 Ge2 Te6 | P-1 | 2 | -0.001532 | 2025-11-23 02:42:40 | 1,064 | 2.667848 | 2.639093 | 2.705683 | 0.028755 | 0.06659 | 0.037835 | 0.06659 | -39.35913 | 0.21821 | 0.138248 | 0.117567 | -39.783833 | 0.031656 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.261342598241104, 0.0, 3.142644424149949], [2.9336423721841123, 7.548466433048338, 2.838230461122898], [0.0, 0.0, 10.56956338]], "pbc": [true, true, true], "a": 7.91222537, "b": 8.58144249, "c": 10.56956338, "alpha": 7... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.261342598241104,0.0,3.142644424149949],[2.9336423721841123,7.548466433048338,2.838230461122898],[0.0,0.0,10.56956338]],"pbc":[true,true,true],"a":7.91222537,"b":8.58144249,"c":10.56956338,"alpha":70.68627386,"beta":66.5974686... | 0.158008 | 0.21821 | [
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cd-251023-d771f52d53c04402b783414b71bf602a | Sb2 Te2 I2 | Sb2 Te2 I2 | P-3m1 | 164 | 0.001019 | 2025-11-22 21:28:08 | 1,064 | 4.475816 | 4.475595 | 3.67081 | 0.000221 | 0.804785 | 0.805006 | 0.805006 | -19.108162 | 0.219379 | 0.219435 | 0.21058 | -19.079638 | 0.002918 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.312948034203297, 0.0, 0.0057596403927534], [-2.1593610504239775, 3.7345757403050066, -0.0070615857484729], [0.0, 0.0, 15.11390881]], "pbc": [true, true, true], "a": 4.31295188, "b": 4.31392466, "c": 15.11390881, "alph... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.312948034203297,0.0,0.005759640392753396],[-2.1593610504239775,3.7345757403050066,-0.00706158574847288],[0.0,0.0,15.11390881]],"pbc":[true,true,true],"a":4.31295188,"b":4.31392466,"c":15.11390881,"alpha":90.09378913000002,"be... | 0.216465 | 0.219435 | [
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cd-251023-94016fb8cda346cebfd314dad8196c05 | Hg4 Ge2 Te8 | Hg4 Ge2 Te8 | I-4 | 82 | 0.00001 | 2025-11-23 09:32:36 | 1,064 | 4.114505 | 4.100606 | 4.469299 | 0.013899 | 0.368693 | 0.354794 | 0.368693 | -36.383823 | 1.253298 | 1.28459 | 0.534916 | -37.030457 | 0.006017 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.2084571806464055, 0.0, -0.0233898089268347], [-0.0025520131612312, 6.186872694441764, 0.0021945646862122], [0.0, 0.0, 12.65312865]], "pbc": [true, true, true], "a": 6.208501240000001, "b": 6.186873609999999, "c": 12.6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.2084571806464055,0.0,-0.02338980892683472],[-0.002552013161231213,6.186872694441764,0.002194564686212167],[0.0,0.0,12.65312865]],"pbc":[true,true,true],"a":6.208501240000001,"b":6.186873609999999,"c":12.65312865,"alpha":89.97... | 1.024268 | 1.28459 | [
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cd-251023-5dd8dbdb4d084059971f118305bcb3e7 | Bi4 Te5 S1 | Bi4 Te5 S1 | P3m1 | 156 | 0.000446 | 2025-11-23 10:01:08 | 1,064 | 6.621386 | 6.62799 | 5.09864 | 0.006604 | 1.52935 | 1.522747 | 1.52935 | -37.936219 | 0.857064 | 0.86183 | 0.734049 | -37.954403 | 0.008427 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.35687526797894, 0.0, -0.006568919293759], [-2.177944112167658, 3.7720307897640137, 0.0005433343351516], [0.0, 0.0, 21.41396742]], "pbc": [true, true, true], "a": 4.35688022, "b": 4.35564658, "c": 21.41396742, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.35687526797894,0.0,-0.006568919293758972],[-2.177944112167658,3.7720307897640137,0.0005433343351516462],[0.0,0.0,21.41396742]],"pbc":[true,true,true],"a":4.35688022,"b":4.35564658,"c":21.41396742,"alpha":89.99285278,"beta":90... | 0.817647 | 0.86183 | [
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cd-251023-4dc3d9b38f4640cb8c5574ed5207ced0 | K4 Na2 As2 | K4 Na2 As2 | P2_1/m | 11 | -0.000017 | 2025-11-23 07:58:42 | 1,064 | 2.754809 | 2.823594 | 2.714612 | 0.068785 | 0.108982 | 0.040197 | 0.108982 | -18.872378 | 0.511542 | 1.091552 | 1.207981 | -19.521338 | 0.031553 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.962826823556582, 0.0, 0.0098204962428044], [-0.0150389735863884, 7.221072518330452, -2.7332828431430185], [0.0, 0.0, 8.29880211]], "pbc": [true, true, true], "a": 4.96283654, "b": 7.72107179, "c": 8.29880211, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.962826823556582,0.0,0.009820496242804441],[-0.015038973586388437,7.221072518330452,-2.7332828431430185],[0.0,0.0,8.29880211]],"pbc":[true,true,true],"a":4.96283654,"b":7.72107179,"c":8.29880211,"alpha":110.73235504,"beta":89.... | 0.937025 | 1.207981 | [
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cd-251023-a2dc598a137940528b117cb68dffd8bd | Cs2 Ge2 Se6 | Cs2 Ge2 Se6 | P-1 | 2 | -0.000451 | 2025-11-22 21:23:20 | 1,064 | 2.701103 | 2.456629 | 2.614828 | 0.244474 | 0.158199 | 0.086275 | 0.244474 | -37.916761 | 0.085187 | 0.031995 | 0.042699 | -38.058723 | 0.032604 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.218127444865883, 0.0, 0.8304736295536554], [0.9774175841898927, 6.677211403209323, 0.822544788194538], [0.0, 0.0, 7.72124316]], "pbc": [true, true, true], "a": 7.26574499, "b": 6.79831429, "c": 7.72124316, "alpha": 83... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.218127444865883,0.0,0.8304736295536554],[0.9774175841898927,6.677211403209323,0.822544788194538],[0.0,0.0,7.72124316]],"pbc":[true,true,true],"a":7.26574499,"b":6.79831429,"c":7.72124316,"alpha":83.05061613,"beta":83.43675634... | 0.053294 | 0.085187 | [
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cd-251023-62f4321ba14b44a58e67453d6463fbb0 | Rb2 Ge4 Te8 | Rb2 Ge4 Te8 | P-1 | 2 | -0.002148 | 2025-11-23 03:58:09 | 1,064 | 3.489184 | 2.426932 | 3.359937 | 1.062252 | 0.933005 | 0.129247 | 1.062252 | -48.525133 | 0.841429 | 1.266372 | 0.886609 | -50.154099 | 0.11364 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.467208658105918, 0.0, -1.9033234566029054], [-0.0352045816744755, 7.960158536293507, -0.0022789766052294], [0.0, 0.0, 10.49720214]], "pbc": [true, true, true], "a": 6.7414707599999995, "b": 7.96023671, "c": 10.4972021... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.467208658105918,0.0,-1.9033234566029054],[-0.03520458167447551,7.960158536293507,-0.002278976605229447],[0.0,0.0,10.49720214]],"pbc":[true,true,true],"a":6.7414707599999995,"b":7.96023671,"c":10.49720214,"alpha":90.0164035,"b... | 0.998137 | 1.266372 | [
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cd-251023-74174e395b884bbf9b6a1c750a92e615 | Al4 Hg2 Te8 | Al4 Hg2 Te8 | I-42m | 121 | -0.000593 | 2025-11-23 07:57:45 | 1,064 | 3.485676 | 3.471253 | 3.453249 | 0.014422 | 0.018004 | 0.032426 | 0.032426 | -45.629095 | 0.489116 | 0.48301 | 0.086209 | -46.053131 | 0.005942 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.075278351156893, 0.0, 0.0079018878102547], [-0.001234246330658, 6.058011526510825, -0.0061461236678989], [0.0, 0.0, 12.79430837]], "pbc": [true, true, true], "a": 6.0752834899999995, "b": 6.058014770000001, "c": 12.79... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.075278351156893,0.0,0.007901887810254705],[-0.0012342463306579683,6.058011526510825,-0.006146123667898918],[0.0,0.0,12.79430837]],"pbc":[true,true,true],"a":6.0752834899999995,"b":6.058014770000001,"c":12.79430837,"alpha":90.... | 0.352778 | 0.489116 | [
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cd-251023-6d5fb29b0ad34caf9dee60f081945b2f | Na2 Sn1 Se3 | Na4 Sn2 Se6 | Amm2 | 38 | -0.005044 | 2025-11-23 05:20:37 | 1,064 | 2.698817 | 2.82594 | 2.763222 | 0.127123 | 0.062718 | 0.064405 | 0.127123 | -21.801606 | 0.365531 | 0.170403 | 0.098979 | -21.896481 | 0.007585 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.111079934565746, 0.0, 0.0170691845481939], [0.0087763018922969, 6.175009013449263, -3.6015707156579544], [0.0, 0.0, 7.09178056]], "pbc": [true, true, true], "a": 4.11111537, "b": 7.14857503, "c": 7.09178056, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.111079934565746,0.0,0.01706918454819394],[0.008776301892296872,6.175009013449263,-3.6015707156579544],[0.0,0.0,7.09178056]],"pbc":[true,true,true],"a":4.11111537,"b":7.14857503,"c":7.09178056,"alpha":120.25282663,"beta":89.76... | 0.211638 | 0.365531 | [
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cd-251023-5e36ebdd550a4610960c67254f21fbf9 | Cs2 As2 Pb2 | Cs2 As2 Pb2 | P2_1/m | 11 | -0.00207 | 2025-11-23 05:18:54 | 1,064 | 3.416155 | 4.683641 | 3.35822 | 1.267486 | 1.325421 | 0.057935 | 1.325421 | -20.055007 | 0.45882 | 1.676303 | 0.154085 | -20.618839 | 0.036886 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.3817065562684805, 0.0, -1.1028350008249357], [0.0041264539322275, 4.487982695997726, 0.0030947000764182], [0.0, 0.0, 8.65460607]], "pbc": [true, true, true], "a": 6.47629706, "b": 4.48798566, "c": 8.65460607, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.3817065562684805,0.0,-1.1028350008249357],[0.00412645393222747,4.487982695997726,0.003094700076418215],[0.0,0.0,8.65460607]],"pbc":[true,true,true],"a":6.47629706,"b":4.48798566,"c":8.65460607,"alpha":89.96049157,"beta":99.80... | 0.763069 | 1.676303 | [
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cd-251023-abb1c1b6ed5f4f4a931a0e0fb2d14f05 | Rb1 Ge3 Se6 | Rb3 Ge9 Se18 | R3 | 146 | -0.001196 | 2025-11-23 05:22:47 | 1,064 | 2.663654 | 2.695329 | 2.652104 | 0.031675 | 0.043225 | 0.011551 | 0.043225 | -39.597653 | 0.165393 | 0.161242 | 0.173937 | -40.228878 | 0.023655 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.691361489810714, 0.0, -1.163549350110766], [-1.3869240813532533, 6.560177331224577, -1.1569028545839581], [0.0, 0.0, 6.80134802]], "pbc": [true, true, true], "a": 6.7917719100000005, "b": 6.8042567, "c": 6.80134802, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.691361489810714,0.0,-1.163549350110766],[-1.3869240813532533,6.560177331224577,-1.1569028545839581],[0.0,0.0,6.80134802]],"pbc":[true,true,true],"a":6.7917719100000005,"b":6.8042567,"c":6.80134802,"alpha":99.78935045,"beta":9... | 0.166857 | 0.173937 | [
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0.01627... | 1 | 1 | 0.154446 | 0.242381 | 0.158175 | 0.243599 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-d3410d058df64f90a65140f886805683 | In5 Hg1 Te8 | In5 Hg1 Te8 | P-42m | 111 | -0.000935 | 2025-11-23 06:00:28 | 1,064 | 3.495344 | 3.494121 | 3.297634 | 0.001223 | 0.196486 | 0.197709 | 0.197709 | -42.054939 | 0.151087 | 0.150596 | 0.182737 | -43.45248 | 0.022602 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.3640373575371045, 0.0, 0.0016444584676518], [-0.0005013696387898, 6.372905245342727, -0.0002508095350271], [0.0, 0.0, 12.71972691]], "pbc": [true, true, true], "a": 6.36403757, "b": 6.37290527, "c": 12.71972691, "alph... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.3640373575371045,0.0,0.0016444584676517928],[-0.0005013696387898165,6.372905245342727,-0.0002508095350271096],[0.0,0.0,12.71972691]],"pbc":[true,true,true],"a":6.36403757,"b":6.37290527,"c":12.71972691,"alpha":90.00225491,"be... | 0.161473 | 0.182737 | [
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0.0163681116... | 1 | 1 | 0.165607 | 0.360991 | 0.168472 | 0.36561 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-e9135dcd95bd4888b9ab5914a07eb31d | Rb2 Te1 Se3 | Rb4 Te2 Se6 | Cm | 8 | -0.008691 | 2025-11-22 21:36:40 | 1,064 | 2.332064 | 2.403035 | 2.542922 | 0.070972 | 0.139886 | 0.210858 | 0.210858 | -19.723506 | 0.02054 | 0.019475 | 0.023477 | -19.828238 | 0.016643 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.693046945744635, 0.0, 1.3374841635544858], [3.2208617050879798, 6.335494018591849, 3.9220640038989294], [0.0, 0.0, 8.19422484]], "pbc": [true, true, true], "a": 4.87991327, "b": 8.1175748, "c": 8.19422484, "alpha": 61... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.693046945744635,0.0,1.3374841635544858],[3.2208617050879798,6.335494018591849,3.9220640038989294],[0.0,0.0,8.19422484]],"pbc":[true,true,true],"a":4.87991327,"b":8.1175748,"c":8.19422484,"alpha":61.10819814000001,"beta":74.09... | 0.021164 | 0.023477 | [
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cd-251023-a5ce0a4dee364be4b9e0568aea8d2a0c | In3 Hg1 Te4 As1 | In3 Hg1 Te4 As1 | P1 | 1 | null | 2025-11-22 21:44:43 | 1,064 | 3.743181 | 3.793715 | 3.837812 | 0.050534 | 0.044096 | 0.09463 | 0.09463 | -27.61003 | 0.258857 | 0.247739 | 0.302816 | -28.244513 | 0.007191 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.791577661811079, 0.0, 2.6010061459070166], [2.8975235918800926, 7.124251765493715, 1.3410462390871951], [0.0, 0.0, 7.74433224]], "pbc": [true, true, true], "a": 6.34882704, "b": 7.806984769999999, "c": 7.74433224, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.791577661811079,0.0,2.6010061459070166],[2.8975235918800926,7.124251765493715,1.3410462390871951],[0.0,0.0,7.74433224]],"pbc":[true,true,true],"a":6.34882704,"b":7.806984769999999,"c":7.74433224,"alpha":80.10895198000001,"bet... | 0.269804 | 0.302816 | [
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0.01446171207... | 1 | 1 | 0.218338 | 0.380318 | 0.217167 | 0.379791 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-c13b2cffb8094e5fbe7c9fe117140daa | Rb4 Tl2 Sb2 | Rb8 Tl4 Sb4 | Cmcm | 63 | 0.001071 | 2025-11-23 01:11:18 | 1,064 | 1.394498 | 3.063355 | 2.929621 | 1.668857 | 0.133734 | 1.535123 | 1.668857 | -18.02171 | 1.387525 | 1.182347 | 1.030816 | -19.206764 | 0.016474 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.3897224642744295, 0.0, 0.0098068675994364], [-0.0113321159655094, 7.238502936696673, -1.1668011870614976], [0.0, 0.0, 7.33465042]], "pbc": [true, true, true], "a": 6.38972999, "b": 7.33194914, "c": 7.33465042, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.3897224642744295,0.0,0.009806867599436407],[-0.011332115965509355,7.238502936696673,-1.1668011870614976],[0.0,0.0,7.33465042]],"pbc":[true,true,true],"a":6.38972999,"b":7.33194914,"c":7.33465042,"alpha":99.15694113000002,"bet... | 1.200229 | 1.387525 | [
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cd-251023-40c62346851949eda20375c58653fc3d | Cs8 Cu3 Sb4 | Cs8 Cu3 Sb4 | P2/m | 10 | -0.000612 | 2025-11-23 09:09:54 | 1,064 | 2.72247 | 3.140159 | 2.690146 | 0.417689 | 0.450013 | 0.032325 | 0.450013 | -38.908856 | 0.432255 | 0.122876 | 0.053696 | -40.630257 | 0.039058 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.669320117663875, 0.0, 0.007052165472216], [0.2882591075016427, 7.3243025718209065, 0.0071368986383669], [0.0, 0.0, 11.87698816]], "pbc": [true, true, true], "a": 7.669323359999999, "b": 7.32997629, "c": 11.87698816, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.669320117663875,0.0,0.007052165472216],[0.2882591075016427,7.3243025718209065,0.0071368986383668525],[0.0,0.0,11.87698816]],"pbc":[true,true,true],"a":7.669323359999999,"b":7.32997629,"c":11.87698816,"alpha":89.94421343000002... | 0.202942 | 0.432255 | [
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cd-251023-f2162f0075984e958ad42d3d4a72ddd4 | Tl1 In1 Ge2 Se6 | Tl1 In1 Ge2 Se6 | P1 | 1 | -0.000621 | 2025-11-23 04:15:21 | 1,064 | 3.084443 | 3.130831 | 3.119684 | 0.046388 | 0.011148 | 0.035241 | 0.046388 | -38.555729 | 0.039878 | 0.037482 | 0.039074 | -38.911484 | 0.06051 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.6045927470745935, 0.0, 0.8505955779667475], [-4.451361458236398, 6.592930294891622, -1.9555889949030285], [0.0, 0.0, 6.94428001]], "pbc": [true, true, true], "a": 6.65914095, "b": 8.191805480000001, "c": 6.94428001, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.6045927470745935,0.0,0.8505955779667475],[-4.451361458236398,6.592930294891622,-1.9555889949030285],[0.0,0.0,6.94428001]],"pbc":[true,true,true],"a":6.65914095,"b":8.191805480000001,"c":6.94428001,"alpha":103.81130272000001,"... | 0.038811 | 0.039878 | [
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0.004... | 1 | 1 | 0.04286 | 0.217711 | 0.042772 | 0.237769 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-afc84cce7e014381a2d8498703a01378 | Cs2 P2 Se6 | Cs4 P4 Se12 | C2/m | 12 | -0.000532 | 2025-11-23 08:14:09 | 1,064 | 2.403629 | 2.650415 | 2.649594 | 0.246786 | 0.000821 | 0.245965 | 0.246786 | -38.750647 | 0.04618 | 0.089986 | 0.101223 | -38.934074 | 0.009668 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.226243618055088, 0.0, -0.1543310312826477], [0.1291610809180884, 7.640730224679073, -1.5599162997429354], [0.0, 0.0, 7.77215333]], "pbc": [true, true, true], "a": 6.22815604, "b": 7.799408940000001, "c": 7.77215333, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.226243618055088,0.0,-0.15433103128264766],[0.12916108091808842,7.640730224679073,-1.5599162997429354],[0.0,0.0,7.77215333]],"pbc":[true,true,true],"a":6.22815604,"b":7.799408940000001,"c":7.77215333,"alpha":101.53721779,"beta... | 0.07913 | 0.101223 | [
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cd-251023-759be8a0581c49b495b1d0f4056e41bc | Cs5 As6 | Cs5 As6 | P-1 | 2 | -0.00144 | 2025-11-23 00:05:45 | 1,064 | 2.424001 | 1.952309 | 2.200398 | 0.471691 | 0.248089 | 0.223602 | 0.471691 | -36.711384 | 0.592182 | 0.836906 | 1.014521 | -37.094772 | 0.026138 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.1821902302966105, 0.0, -1.6920025949623148], [-1.6194427538855118, 6.840061126533272, 0.5467390107000629], [0.0, 0.0, 8.96778558]], "pbc": [true, true, true], "a": 7.3788027, "b": 7.05038684, "c": 8.96778558, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.1821902302966105,0.0,-1.6920025949623148],[-1.6194427538855118,6.840061126533272,0.5467390107000629],[0.0,0.0,8.96778558]],"pbc":[true,true,true],"a":7.3788027,"b":7.05038684,"c":8.96778558,"alpha":85.55239725,"beta":103.2562... | 0.814536 | 1.014521 | [
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cd-251023-0d107fc70a7140f89f2d2e4ffa58bd3a | Cs4 Ti2 O6 | Cs8 Ti4 O12 | Cmcm | 63 | 0.000004 | 2025-11-22 21:15:34 | 1,064 | 1.817941 | 1.906938 | 1.853648 | 0.088997 | 0.05329 | 0.035707 | 0.088997 | -76.843956 | 0.003135 | 0.003618 | 0.003264 | -77.637764 | 0.006396 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.218345308031493, 0.0, 0.0015043556947842], [-0.0161566623934323, 6.490956131765053, -3.554677109349285], [0.0, 0.0, 7.21600928]], "pbc": [true, true, true], "a": 6.218345490000001, "b": 7.40057443, "c": 7.21600928, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.218345308031493,0.0,0.0015043556947841514],[-0.016156662393432285,6.490956131765053,-3.554677109349285],[0.0,0.0,7.21600928]],"pbc":[true,true,true],"a":6.218345490000001,"b":7.40057443,"c":7.21600928,"alpha":118.70659685,"be... | 0.003339 | 0.003618 | [
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... | 0 | 0 | 0.070501 | 0.020417 | 0.068521 | 0.022795 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-47bb762d30fb4c7f81399c5d9e98c764 | Rb4 Hg2 Ge2 Te8 | Rb4 Hg2 Ge2 Te8 | C222 | 21 | -0.00041 | 2025-11-23 09:39:49 | 1,064 | 2.86752 | 3.121805 | 2.570993 | 0.254284 | 0.550812 | 0.296527 | 0.550812 | -45.558825 | 0.248943 | 0.119018 | 1.3804 | -47.521309 | 0.014383 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.627656062673892, 0.0, -0.0064794989159981], [0.0014763000729914, 7.204531712330846, -0.0053499862708152], [0.0, 0.0, 13.82900407]], "pbc": [true, true, true], "a": 6.62765923, "b": 7.204533850000002, "c": 13.82900407,... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.627656062673892,0.0,-0.006479498915998079],[0.001476300072991439,7.204531712330846,-0.00534998627081517],[0.0,0.0,13.82900407]],"pbc":[true,true,true],"a":6.62765923,"b":7.204533850000002,"c":13.82900407,"alpha":90.0425470500... | 0.582787 | 1.3804 | [
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cd-251023-ac0095b8301143ea9a24d750f0444fa0 | K4 P2 Se8 | K4 P2 Se8 | P-1 | 2 | 0.002462 | 2025-11-23 07:54:36 | 1,064 | 2.236422 | 2.404932 | 2.368848 | 0.16851 | 0.036084 | 0.132426 | 0.16851 | -52.465614 | 0.013481 | 0.026404 | 0.021002 | -52.474907 | 0.061553 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.91405085874808, 0.0, -2.3929720291422427], [-1.741891210915294, 6.122283954775368, 2.346511110673935], [0.0, 0.0, 11.7813334]], "pbc": [true, true, true], "a": 7.31644821, "b": 6.78400031, "c": 11.7813334, "alpha": 69... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.91405085874808,0.0,-2.3929720291422427],[-1.741891210915294,6.122283954775368,2.346511110673935],[0.0,0.0,11.7813334]],"pbc":[true,true,true],"a":7.31644821,"b":6.78400031,"c":11.7813334,"alpha":69.76392668,"beta":109.0908777... | 0.020296 | 0.026404 | [
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cd-251023-d6fef820e6ec46ccb282dc3d246d9088 | Ba3 As5 | Ba6 As10 | C2 | 5 | 0.000626 | 2025-11-23 02:45:13 | 1,064 | 4.193724 | 4.179479 | 3.959867 | 0.014245 | 0.219612 | 0.233857 | 0.233857 | -35.384332 | 2.567396 | 2.910231 | 2.519176 | -35.952351 | 0.013224 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.334211853379018, 0.0, 1.4685531665089797], [1.0681849371618501, 6.22407827871614, 1.4847984208427352], [0.0, 0.0, 6.44723219]], "pbc": [true, true, true], "a": 6.50222179, "b": 6.48727954, "c": 6.44723219, "alpha": 76... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.334211853379018,0.0,1.4685531665089797],[1.0681849371618501,6.22407827871614,1.4847984208427352],[0.0,0.0,6.44723219]],"pbc":[true,true,true],"a":6.50222179,"b":6.48727954,"c":6.44723219,"alpha":76.76895018,"beta":76.94689518... | 2.665601 | 2.910231 | [
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cd-251023-0d908538c4f243768610624bae570013 | Cs5 In1 Se4 | Cs10 In2 Se8 | I-4 | 82 | -0.001966 | 2025-11-23 01:29:28 | 1,064 | 2.234457 | 2.234569 | 2.153907 | 0.000113 | 0.080663 | 0.08055 | 0.080663 | -31.319143 | 0.019915 | 0.020004 | 0.017735 | -31.850796 | 0.028536 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.894266909591137, 0.0, 3.803903745207502], [0.0085056323665229, 7.882298589449396, 3.813779201775672], [0.0, 0.0, 7.55118826]], "pbc": [true, true, true], "a": 8.76294093, "b": 8.75646134, "c": 7.55118826, "alpha": 64.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.894266909591137,0.0,3.803903745207502],[0.008505632366522877,7.882298589449396,3.813779201775672],[0.0,0.0,7.55118826]],"pbc":[true,true,true],"a":8.76294093,"b":8.75646134,"c":7.55118826,"alpha":64.18041258,"beta":64.2726060... | 0.019218 | 0.020004 | [
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cd-251023-f5ba4612829f46ed84ddc7cbd8d6408c | K2 Rb3 As6 | K4 Rb6 As12 | Amm2 | 38 | -0.000947 | 2025-11-23 05:27:00 | 1,064 | 2.263124 | 2.153003 | 2.244513 | 0.110121 | 0.09151 | 0.018611 | 0.110121 | -37.069518 | 0.1695 | 0.123386 | 0.122632 | -37.746052 | 0.017079 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.025662647711714, 0.0, -0.0048919187127379], [0.0020249626285218, 9.065436936544106, -5.165810568972899], [0.0, 0.0, 10.39200917]], "pbc": [true, true, true], "a": 4.02566562, "b": 10.433970950000003, "c": 10.39200917,... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.025662647711714,0.0,-0.004891918712737851],[0.0020249626285217957,9.065436936544106,-5.165810568972899],[0.0,0.0,10.39200917]],"pbc":[true,true,true],"a":4.02566562,"b":10.433970950000003,"c":10.39200917,"alpha":119.67603846,... | 0.138506 | 0.1695 | [
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0.004732... | 1 | 1 | 0.451357 | 0.409485 | 0.436434 | 0.396509 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-0947d9e0cac947ebb8512f64a46bba1a | Cs4 Ge1 Te2 Se2 | Cs8 Ge2 Te4 Se4 | Cmm2 | 35 | 0.003322 | 2025-11-23 04:19:10 | 1,064 | 2.39864 | 2.396157 | 2.381923 | 0.002483 | 0.014235 | 0.016718 | 0.016718 | -29.033763 | 0.029579 | 0.029506 | 0.02561 | -29.616306 | 0.011191 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.483851848644529, 0.0, -0.0320695483374459], [0.2814289899481561, 7.4700808782124515, -0.0146736965189415], [0.0, 0.0, 7.50630334]], "pbc": [true, true, true], "a": 7.48392056, "b": 7.4753947, "c": 7.50630334, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.483851848644529,0.0,-0.03206954833744595],[0.28142898994815607,7.4700808782124515,-0.014673696518941518],[0.0,0.0,7.50630334]],"pbc":[true,true,true],"a":7.48392056,"b":7.4753947,"c":7.50630334,"alpha":90.11246783000001,"beta... | 0.028231 | 0.029579 | [
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cd-251023-8a52a6a788e343edb76b14df18ea7b68 | Cs8 Sb3 | Cs16 Sb6 | Immm | 71 | -0.000901 | 2025-11-23 05:55:08 | 1,064 | 2.7906 | 2.770577 | 2.742114 | 0.020023 | 0.028463 | 0.048486 | 0.048486 | -23.06021 | 0.21318 | 0.261714 | 0.23914 | -23.245392 | 0.017856 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.180729657124329, 0.0, -1.8533493565115422], [-1.1250207740329787, 8.324166991636448, -3.7424811786755274], [0.0, 0.0, 11.24636668]], "pbc": [true, true, true], "a": 6.4526214, "b": 9.195846520000002, "c": 11.24636668,... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.180729657124329,0.0,-1.8533493565115422],[-1.1250207740329787,8.324166991636448,-3.7424811786755274],[0.0,0.0,11.24636668]],"pbc":[true,true,true],"a":6.4526214,"b":9.195846520000002,"c":11.24636668,"alpha":114.01496066000001... | 0.238012 | 0.261714 | [
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cd-251023-b243a84ec9674cb591924b314759eb16 | K2 Ge2 Sb2 Se8 | K2 Ge2 Sb2 Se8 | P2_1 | 4 | -0.000216 | 2025-11-23 07:51:21 | 1,064 | 3.149995 | 3.160326 | 3.009766 | 0.010331 | 0.15056 | 0.140229 | 0.15056 | -54.82095 | 0.046556 | 0.039505 | 0.033009 | -54.920055 | 0.060362 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.3096261641167946, 0.0, 0.0269268860208479], [0.0152766738081644, 6.567792022169976, -2.317807101680814], [0.0, 0.0, 9.27702573]], "pbc": [true, true, true], "a": 7.30967576, "b": 6.9647939800000005, "c": 9.27702573, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.3096261641167946,0.0,0.026926886020847904],[0.015276673808164384,6.567792022169976,-2.317807101680814],[0.0,0.0,9.27702573]],"pbc":[true,true,true],"a":7.30967576,"b":6.9647939800000005,"c":9.27702573,"alpha":109.438146559999... | 0.03969 | 0.046556 | [
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0.025833... | 1 | 1 | 0.73612 | 0.380418 | 0.710734 | 0.380843 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-2ce50fbe50714720a6cd3be3cc7211cd | K4 Sn2 Se5 | K4 Sn2 Se5 | Pm | 6 | 0.002892 | 2025-11-23 02:03:33 | 1,064 | 2.316233 | 2.601224 | 2.34859 | 0.284991 | 0.252634 | 0.032357 | 0.284991 | -39.046848 | 0.321924 | 0.129093 | 0.21994 | -39.785084 | 0.016358 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.3648188665214285, 0.0, 0.001654253445765], [-0.0035690729057748, 7.683458327080092, 0.6733152185089234], [0.0, 0.0, 11.95257915]], "pbc": [true, true, true], "a": 4.36481918, "b": 7.71290464, "c": 11.95257915, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3648188665214285,0.0,0.0016542534457650048],[-0.0035690729057748383,7.683458327080092,0.6733152185089234],[0.0,0.0,11.95257915]],"pbc":[true,true,true],"a":4.36481918,"b":7.71290464,"c":11.95257915,"alpha":84.9918623,"beta":8... | 0.223652 | 0.321924 | [
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0.029... | 1 | 1 | 0.498335 | 0.125771 | 0.481284 | 0.126017 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-2ab35d6306b041c3b2b5d7896f57eee0 | Na6 Sb2 | Na6 Sb2 | P2_1/m | 11 | -0.000814 | 2025-11-23 00:16:58 | 1,064 | 2.914879 | 3.290533 | 3.606348 | 0.375654 | 0.315815 | 0.691469 | 0.691469 | -19.113232 | 0.164072 | 0.785815 | 0.903851 | -19.573448 | 0.039741 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.896418284951062, 0.0, -0.0126129050268465], [0.0013809535465616, 7.184487908033626, -3.955621184498624], [0.0, 0.0, 7.90311325]], "pbc": [true, true, true], "a": 4.896434529999999, "b": 8.20145154, "c": 7.90311325, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.896418284951062,0.0,-0.01261290502684652],[0.001380953546561645,7.184487908033626,-3.955621184498624],[0.0,0.0,7.90311325]],"pbc":[true,true,true],"a":4.896434529999999,"b":8.20145154,"c":7.90311325,"alpha":118.83621400999999... | 0.617913 | 0.903851 | [
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cd-251023-0ecda45a813244efb4f84c141fd257cf | Rb2 Mg1 Cd1 As2 | Rb2 Mg1 Cd1 As2 | P-4m2 | 115 | -0.000419 | 2025-11-23 02:57:05 | 1,064 | 3.438322 | 3.42995 | 2.867313 | 0.008372 | 0.562638 | 0.571009 | 0.571009 | -16.698434 | 0.519192 | 0.519191 | 0.220869 | -16.943712 | 0.005011 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.656685473160841, 0.0, -0.0177363291963583], [-0.0005357521297548, 4.652216533182461, -0.0059430086617923], [0.0, 0.0, 8.33282005]], "pbc": [true, true, true], "a": 4.65671925, "b": 4.652220360000001, "c": 8.33282005, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.656685473160841,0.0,-0.017736329196358324],[-0.0005357521297547736,4.652216533182461,-0.005943008661792271],[0.0,0.0,8.33282005]],"pbc":[true,true,true],"a":4.65671925,"b":4.652220360000001,"c":8.33282005,"alpha":90.07319288,... | 0.419751 | 0.519192 | [
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cd-251023-76d72b35c9634038972a23585a040dae | Cs2 Se4 | Cs2 Se4 | P2/m | 10 | -0.00107 | 2025-11-23 03:00:08 | 1,064 | 1.929766 | 2.803608 | 3.282838 | 0.873842 | 0.47923 | 1.353072 | 1.353072 | -19.73061 | 0.088301 | 0.207643 | 0.29176 | -19.854109 | 0.023225 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.827657134851753, 0.0, 0.0053866185847555], [-0.0076600481820257, 5.638907023240058, 0.6879635483532728], [0.0, 0.0, 8.52168737]], "pbc": [true, true, true], "a": 4.82766014, "b": 5.68072398, "c": 8.52168737, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.827657134851753,0.0,0.005386618584755522],[-0.007660048182025721,5.638907023240058,0.6879635483532728],[0.0,0.0,8.52168737]],"pbc":[true,true,true],"a":4.82766014,"b":5.68072398,"c":8.52168737,"alpha":83.04412583000001,"beta"... | 0.195901 | 0.29176 | [
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cd-251023-eb5aadd2c03c49209ddfe3a9e6166c6a | Li1 Ga1 Te2 | Li1 Ga1 Te2 | P-4m2 | 115 | -0.000384 | 2025-11-23 02:55:23 | 1,064 | 3.227539 | 3.236575 | 2.844305 | 0.009036 | 0.392271 | 0.383234 | 0.392271 | -13.531918 | 0.363466 | 0.36086 | 0.218103 | -13.690551 | 0.00981 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.327448134339825, 0.0, 0.019317438373902], [0.0021242289311085, 4.337947123980864, 0.0152785354436877], [0.0, 0.0, 6.53704958]], "pbc": [true, true, true], "a": 4.32749125, "b": 4.33797455, "c": 6.53704958, "alpha": 89... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.327448134339825,0.0,0.01931743837390197],[0.002124228931108544,4.337947123980864,0.015278535443687721],[0.0,0.0,6.53704958]],"pbc":[true,true,true],"a":4.32749125,"b":4.33797455,"c":6.53704958,"alpha":89.79820135,"beta":89.74... | 0.314143 | 0.363466 | [
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cd-251023-e8f93b1125e942a28adf8b154d7e8db7 | Cs2 Sb4 | Cs4 Sb8 | C2/m | 12 | 0.001839 | 2025-11-23 08:46:43 | 1,064 | 4.107868 | 3.386926 | 3.019848 | 0.720941 | 0.367078 | 1.08802 | 1.08802 | -19.973144 | 1.602522 | 0.382323 | 0.458566 | -20.134834 | 0.016491 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.441067560126562, 0.0, -1.2862947299796106], [-1.0002289241457136, 6.728472752268826, -4.2582096550503845], [0.0, 0.0, 7.39755293]], "pbc": [true, true, true], "a": 5.591043760000001, "b": 8.02528211, "c": 7.39755293, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.441067560126562,0.0,-1.2862947299796106],[-1.0002289241457136,6.728472752268826,-4.2582096550503845],[0.0,0.0,7.39755293]],"pbc":[true,true,true],"a":5.591043760000001,"b":8.02528211,"c":7.39755293,"alpha":122.04596099,"beta"... | 0.81447 | 1.602522 | [
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cd-251023-c522a547a84144e8b14cd5780a910a09 | In2 Cu2 Ge2 Se8 | In2 Cu2 Ge2 Se8 | I-4 | 82 | -0.000113 | 2025-11-23 03:04:34 | 1,064 | 3.844897 | 3.846424 | 3.511616 | 0.001527 | 0.334808 | 0.33328 | 0.334808 | -54.664746 | 0.283779 | 0.28351 | 0.240103 | -55.895695 | 0.007838 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.6522616382402715, 0.0, 0.0035926384086464], [-0.0043862321204753, 5.656997213965918, -0.0018895423296583], [0.0, 0.0, 11.29042207]], "pbc": [true, true, true], "a": 5.65226278, "b": 5.65699923, "c": 11.29042207, "alph... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.6522616382402715,0.0,0.0035926384086463936],[-0.004386232120475272,5.656997213965918,-0.001889542329658277],[0.0,0.0,11.29042207]],"pbc":[true,true,true],"a":5.65226278,"b":5.65699923,"c":11.29042207,"alpha":90.01913785,"beta... | 0.269131 | 0.283779 | [
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cd-251023-09dcfecf30414f239b10151edd44620f | Cs4 Te6 | Cs8 Te12 | Aea2 | 41 | -0.000192 | 2025-11-23 04:26:05 | 1,064 | 2.575733 | 2.913911 | 3.475703 | 0.338178 | 0.561792 | 0.89997 | 0.89997 | -29.687294 | 0.97514 | 1.613467 | 1.832651 | -29.602169 | 0.024897 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.517393612377823, 0.0, 0.0066003894797497], [2.470591301000169, 7.100876466122652, 0.0002715101714065], [0.0, 0.0, 8.75799223]], "pbc": [true, true, true], "a": 7.51739651, "b": 7.518395310000001, "c": 8.75799223, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.517393612377823,0.0,0.006600389479749747],[2.470591301000169,7.100876466122652,0.0002715101714065091],[0.0,0.0,8.75799223]],"pbc":[true,true,true],"a":7.51739651,"b":7.518395310000001,"c":8.75799223,"alpha":89.99793089000002,... | 1.473753 | 1.832651 | [
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cd-251023-fb52109f3c5e4034862e74f8917ef418 | Cs3 Nb1 Se4 | Cs9 Nb3 Se12 | R3m | 160 | 0.002225 | 2025-11-22 22:35:09 | 1,064 | 2.359967 | 2.359329 | 2.360117 | 0.000639 | 0.000788 | 0.000149 | 0.000788 | -35.944352 | 0.018602 | 0.018226 | 0.018749 | -35.862354 | 0.015043 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.030209888074491, 0.0, -1.7872351494040186], [-2.2920459167304483, 6.630326224768639, -1.8000590084022094], [0.0, 0.0, 7.25449301]], "pbc": [true, true, true], "a": 7.25383075, "b": 7.242576389999999, "c": 7.25449301, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.030209888074491,0.0,-1.7872351494040186],[-2.2920459167304483,6.630326224768639,-1.8000590084022094],[0.0,0.0,7.25449301]],"pbc":[true,true,true],"a":7.25383075,"b":7.242576389999999,"c":7.25449301,"alpha":104.39104447,"beta"... | 0.018526 | 0.018749 | [
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cd-251023-e9d75885870f4d218ae649f3005d4db0 | Cs6 Ga2 Te6 | Cs6 Ga2 Te6 | P2_1/m | 11 | 0.002398 | 2025-11-22 21:55:20 | 1,064 | 2.298126 | 2.37426 | 2.540193 | 0.076134 | 0.165934 | 0.242067 | 0.242067 | -42.267391 | 0.016818 | 0.020238 | 0.02612 | -42.298424 | 0.02969 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.071382010743156, 0.0, 0.0416497415675997], [-0.4514187518831136, 6.793791029204803, -0.0273901913063401], [0.0, 0.0, 12.44728788]], "pbc": [true, true, true], "a": 8.07148947, "b": 6.80882704, "c": 12.44728788, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.071382010743156,0.0,0.0416497415675997],[-0.4514187518831136,6.793791029204803,-0.027390191306340076],[0.0,0.0,12.44728788]],"pbc":[true,true,true],"a":8.07148947,"b":6.80882704,"c":12.44728788,"alpha":90.23048706999998,"beta... | 0.021059 | 0.02612 | [
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cd-251023-232570f9dae7461d867c81866e05d0c6 | Rb4 Tl3 As3 | Rb4 Tl3 As3 | Pm | 6 | 0.000522 | 2025-11-22 21:50:32 | 1,064 | 3.869559 | 3.417199 | 4.003361 | 0.45236 | 0.586162 | 0.133802 | 0.586162 | -26.848735 | 1.090085 | 0.921222 | 1.599219 | -27.763355 | 0.059976 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.678999020330139, 0.0, 0.0011834738234632], [-0.0041093581941393, 7.709361530319895, -6.454903193869266], [0.0, 0.0, 10.5036302]], "pbc": [true, true, true], "a": 4.67899917, "b": 10.05485193, "c": 10.5036302, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.678999020330139,0.0,0.0011834738234632303],[-0.004109358194139309,7.709361530319895,-6.454903193869266],[0.0,0.0,10.5036302]],"pbc":[true,true,true],"a":4.67899917,"b":10.05485193,"c":10.5036302,"alpha":129.93879972,"beta":89... | 1.203509 | 1.599219 | [
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cd-251023-916759b9d545409fb4ac87b07be023d2 | Cs6 As2 Se4 | Cs6 As2 Se4 | P-42_1m | 113 | 0.001657 | 2025-11-23 05:58:20 | 1,064 | 2.380336 | 2.378852 | 2.211898 | 0.001484 | 0.166953 | 0.168437 | 0.168437 | -38.724596 | 0.177475 | 0.175316 | 0.029906 | -38.834526 | 0.024425 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.007003881031634, 0.0, 0.0098255841356099], [0.0041857895783402, 7.010686564254729, -0.0109466461112079], [0.0, 0.0, 10.52013115]], "pbc": [true, true, true], "a": 7.00701077, "b": 7.010696360000001, "c": 10.52013115, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.007003881031634,0.0,0.00982558413560988],[0.0041857895783401974,7.010686564254729,-0.010946646111207879],[0.0,0.0,10.52013115]],"pbc":[true,true,true],"a":7.00701077,"b":7.010696360000001,"c":10.52013115,"alpha":90.08946285,"... | 0.127566 | 0.177475 | [
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cd-251023-7465627d3c6a471aa9e5ffc3faecb43f | Cs2 Ga2 Sb2 | Cs2 Ga2 Sb2 | Pmmn | 59 | 0.001349 | 2025-11-23 09:10:46 | 1,064 | 3.560767 | 4.896994 | 3.410956 | 1.336228 | 1.486038 | 0.149811 | 1.486038 | -17.965783 | 0.461151 | 0.314091 | 0.279145 | -17.903719 | 0.037081 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.420964368354347, 0.0, -0.0155252829965518], [0.0028696627605743, 4.914294888799792, -0.0368293023772699], [0.0, 0.0, 8.40634408]], "pbc": [true, true, true], "a": 5.420986600000001, "b": 4.914433730000001, "c": 8.4063... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.420964368354347,0.0,-0.015525282996551808],[0.002869662760574268,4.914294888799792,-0.03682930237726992],[0.0,0.0,8.40634408]],"pbc":[true,true,true],"a":5.420986600000001,"b":4.914433730000001,"c":8.40634408,"alpha":90.42938... | 0.351462 | 0.461151 | [
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cd-251023-c3f7b44ab663487c96e9b230d6366fc5 | Cs3 Se1 | Cs6 Se2 | Amm2 | 38 | -0.00136 | 2025-11-23 07:26:42 | 1,064 | 1.702396 | 1.604641 | 1.061259 | 0.097755 | 0.543382 | 0.641137 | 0.641137 | -8.963388 | 0.080945 | 0.120712 | 0.503459 | -9.252833 | 0.0038 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.952869047345556, 0.0, -0.025814527333934], [-0.0009833956563493, 6.559678371045144, -2.5608427867826133], [0.0, 0.0, 9.75233303]], "pbc": [true, true, true], "a": 4.95293632, "b": 7.04182484, "c": 9.75233303, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.952869047345556,0.0,-0.025814527333934016],[-0.0009833956563492683,6.559678371045144,-2.5608427867826133],[0.0,0.0,9.75233303]],"pbc":[true,true,true],"a":4.95293632,"b":7.04182484,"c":9.75233303,"alpha":111.32525156000001,"b... | 0.235039 | 0.503459 | [
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cd-251023-d4af083c7e0043b9898509ce712ca92c | K1 Ge3 Se6 | K3 Ge9 Se18 | R3 | 146 | -0.000371 | 2025-11-23 04:12:39 | 1,064 | 2.708235 | 2.750732 | 2.693201 | 0.042497 | 0.057531 | 0.015034 | 0.057531 | -39.602969 | 0.185841 | 0.175571 | 0.19061 | -40.231716 | 0.027414 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.660383492341767, 0.0, -1.1628095818390527], [-1.3970279803458667, 6.521953763132359, -1.1703535743939324], [0.0, 0.0, 6.75502185]], "pbc": [true, true, true], "a": 6.76112671, "b": 6.7718015, "c": 6.75502185, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.660383492341767,0.0,-1.1628095818390527],[-1.3970279803458667,6.521953763132359,-1.1703535743939324],[0.0,0.0,6.75502185]],"pbc":[true,true,true],"a":6.76112671,"b":6.7718015,"c":6.75502185,"alpha":99.95225719,"beta":99.90322... | 0.184007 | 0.19061 | [
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0.0219... | 1 | 1 | 0.103739 | 0.275044 | 0.111628 | 0.280531 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-24b5da2c2b784c4e851400d3ded1bba0 | K4 Sb8 | K4 Sb8 | Imma | 74 | -0.002885 | 2025-11-23 05:44:59 | 1,064 | 3.11181 | 2.628281 | 2.34842 | 0.483529 | 0.279862 | 0.763391 | 0.763391 | -39.769796 | 1.259588 | 0.609067 | 1.345948 | -41.095768 | 0.042629 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.658116748227797, 0.0, 0.1094426205130311], [-4.99326483284e-05, 8.450883646131423, 0.0029178376280812], [0.0, 0.0, 11.34135507]], "pbc": [true, true, true], "a": 4.65940225, "b": 8.45088415, "c": 11.34135507, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.658116748227797,0.0,0.1094426205130311],[-0.00004993264832838105,8.450883646131423,0.002917837628081177],[0.0,0.0,11.34135507]],"pbc":[true,true,true],"a":4.65940225,"b":8.45088415,"c":11.34135507,"alpha":89.98021748,"beta":8... | 1.071534 | 1.345948 | [
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cd-251023-b99bc61168284d259d74e807743b2842 | K6 Sn2 Se7 | K6 Sn2 Se7 | P1 | 1 | 0.002702 | 2025-11-23 02:12:57 | 1,064 | 2.381929 | 2.398712 | 2.276331 | 0.016783 | 0.122381 | 0.105598 | 0.122381 | -52.812694 | 0.028044 | 0.038958 | 0.019571 | -53.144505 | 0.041192 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.461508574887112, 0.0, 1.1465530170218898], [-2.163867970658637, 7.685530350071045, -5.613212585237414], [0.0, 0.0, 8.5950498]], "pbc": [true, true, true], "a": 8.53883547, "b": 9.76001316, "c": 8.5950498, "alpha": 125... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.461508574887112,0.0,1.1465530170218898],[-2.163867970658637,7.685530350071045,-5.613212585237414],[0.0,0.0,8.5950498]],"pbc":[true,true,true],"a":8.53883547,"b":9.76001316,"c":8.5950498,"alpha":125.10827897000001,"beta":82.28... | 0.028858 | 0.038958 | [
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0.01720... | 1 | 1 | 0.409211 | 0.118979 | 0.402041 | 0.115977 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-a388e138ae124f09abd1b780f40bb71a | Rb3 As5 | Rb6 As10 | Cm | 8 | -0.001401 | 2025-11-23 09:56:09 | 1,064 | 2.109994 | 2.211175 | 1.931109 | 0.10118 | 0.280066 | 0.178886 | 0.280066 | -29.005271 | 0.255688 | 0.245548 | 0.252549 | -29.257204 | 0.044113 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.579887260748764, 0.0, 2.110811237774603], [1.6727177983762522, 6.376178848188188, 2.170008278495759], [0.0, 0.0, 6.9178233]], "pbc": [true, true, true], "a": 6.91016935, "b": 6.93992633, "c": 6.9178233, "alpha": 71.77... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.579887260748764,0.0,2.110811237774603],[1.6727177983762522,6.376178848188188,2.170008278495759],[0.0,0.0,6.9178233]],"pbc":[true,true,true],"a":6.91016935,"b":6.93992633,"c":6.9178233,"alpha":71.77890669000001,"beta":72.21389... | 0.251262 | 0.255688 | [
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cd-251023-029d4f6867694075a5ab56fa1c2b556b | Cs4 Te2 Se4 | Cs8 Te4 Se8 | Aea2 | 41 | -0.003698 | 2025-11-23 01:34:09 | 1,064 | 2.621478 | 2.963952 | 3.428463 | 0.342474 | 0.464511 | 0.806985 | 0.806985 | -32.131395 | 0.310397 | 0.521449 | 0.836993 | -31.977991 | 0.033477 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.1489638741098185, 0.0, 0.0102554395546162], [-2.364266461762382, 6.7447900980334135, -0.0043945451883359], [0.0, 0.0, 8.37361211]], "pbc": [true, true, true], "a": 7.148971230000001, "b": 7.147165080000001, "c": 8.373... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.1489638741098185,0.0,0.010255439554616226],[-2.364266461762382,6.7447900980334135,-0.004394545188335859],[0.0,0.0,8.37361211]],"pbc":[true,true,true],"a":7.148971230000001,"b":7.147165080000001,"c":8.37361211,"alpha":90.03522... | 0.55628 | 0.836993 | [
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cd-251023-b661a3a4cae045bd891c12710301590d | Rb4 Ta2 As4 | Rb8 Ta4 As8 | Ibam | 72 | 0.003003 | 2025-11-23 08:04:14 | 1,064 | 0.987926 | 2.559209 | 2.622557 | 1.571283 | 0.063348 | 1.634631 | 1.634631 | -50.200071 | 2.832348 | 0.056131 | 0.067129 | -50.674129 | 0.018963 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.445343235985726, 0.0, -0.0047550448102921], [-3.2235796092076923, 7.040606015798313, -3.9067125961205695], [0.0, 0.0, 7.86282243]], "pbc": [true, true, true], "a": 6.44534499, "b": 8.67317715, "c": 7.86282243, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.445343235985726,0.0,-0.004755044810292102],[-3.2235796092076923,7.040606015798313,-3.9067125961205695],[0.0,0.0,7.86282243]],"pbc":[true,true,true],"a":6.44534499,"b":8.67317715,"c":7.86282243,"alpha":116.77167086,"beta":90.0... | 0.985203 | 2.832348 | [
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cd-251023-70057f981e1d4220a66e8b8115ba1104 | Cs2 In2 Ge2 Te8 | Cs2 In2 Ge2 Te8 | P2/c | 13 | -0.000662 | 2025-11-23 08:29:48 | 1,064 | 2.830035 | 2.55664 | 2.556073 | 0.273395 | 0.000567 | 0.273962 | 0.273962 | -47.195183 | 0.038692 | 0.054857 | 0.054869 | -47.887421 | 0.00447 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.063613052479207, 0.0, 0.0047950346073054], [0.0461641942777565, 9.929368664704088, -0.2105695214428135], [0.0, 0.0, 9.93663621]], "pbc": [true, true, true], "a": 7.06361468, "b": 9.93170845, "c": 9.93663621, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.063613052479207,0.0,0.004795034607305434],[0.04616419427775649,9.929368664704088,-0.21056952144281346],[0.0,0.0,9.93663621]],"pbc":[true,true,true],"a":7.06361468,"b":9.93170845,"c":9.93663621,"alpha":91.21486137,"beta":89.96... | 0.049473 | 0.054869 | [
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cd-251023-47c190617f7047528dcd49d6e6ae0d51 | Rb4 Sb2 Se5 | Rb4 Sb2 Se5 | P1 | 1 | 0.002563 | 2025-11-22 23:57:03 | 1,064 | 2.347387 | 2.390275 | 2.404343 | 0.042888 | 0.014068 | 0.056957 | 0.056957 | -38.682652 | 0.017999 | 0.020332 | 0.019132 | -38.756245 | 0.024589 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.137181927744523, 0.0, 1.7373661587707454], [2.1464585299516323, 6.573495822097283, 0.5942921252801259], [0.0, 0.0, 9.47652135]], "pbc": [true, true, true], "a": 7.3455978, "b": 6.94055579, "c": 9.47652135, "alpha": 85... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.137181927744523,0.0,1.7373661587707454],[2.1464585299516323,6.573495822097283,0.5942921252801259],[0.0,0.0,9.47652135]],"pbc":[true,true,true],"a":7.3455978,"b":6.94055579,"c":9.47652135,"alpha":85.08797593999999,"beta":76.31... | 0.019154 | 0.020332 | [
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cd-251023-5d17f4ae5f8c410dbc4a7963209242e1 | Cs1 Rb1 Hg2 As2 | Cs1 Rb1 Hg2 As2 | P-3m1 | 164 | -0.000002 | 2025-11-23 10:38:13 | 1,064 | 5.219165 | 5.213951 | 2.370535 | 0.005215 | 2.843416 | 2.84863 | 2.84863 | -13.600598 | 3.093119 | 3.074684 | 0.018308 | -13.849618 | 0.009244 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.664180309526881, 0.0, -0.0018337457254318], [-2.327736467146715, 4.04372432305432, -0.0033048785343774], [0.0, 0.0, 11.28054222]], "pbc": [true, true, true], "a": 4.66418067, "b": 4.665841230000001, "c": 11.28054222, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.664180309526881,0.0,-0.0018337457254317582],[-2.327736467146715,4.04372432305432,-0.0033048785343774397],[0.0,0.0,11.28054222]],"pbc":[true,true,true],"a":4.66418067,"b":4.665841230000001,"c":11.28054222,"alpha":90.04058338,"... | 2.062037 | 3.093119 | [
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cd-251023-3b45753e586b46008cd568d53fafec97 | Cs6 Sn2 Te6 | Cs6 Sn2 Te6 | Pmmn | 59 | 0.003946 | 2025-11-23 10:37:11 | 1,064 | 2.111759 | 2.383719 | 2.546786 | 0.27196 | 0.163067 | 0.435027 | 0.435027 | -43.294564 | 0.335597 | 0.135712 | 0.104013 | -43.48391 | 0.014528 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.835703264892244, 0.0, 0.0002441611991432], [-0.0214237915589036, 8.248531247929657, 6.60494795221e-05], [0.0, 0.0, 14.82490913]], "pbc": [true, true, true], "a": 5.83570327, "b": 8.24855907, "c": 14.82490913, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.835703264892244,0.0,0.00024416119914318817],[-0.021423791558903612,8.248531247929657,0.00006604947952209586],[0.0,0.0,14.82490913]],"pbc":[true,true,true],"a":5.83570327,"b":8.24855907,"c":14.82490913,"alpha":89.9995412100000... | 0.191774 | 0.335597 | [
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cd-251023-ea98ffbc517a4348bc79cd5d250d5884 | B2 N2 | B2 N2 | P-1 | 2 | -0.000071 | 2025-11-23 10:37:44 | 1,064 | 1.695024 | 1.6947 | 1.428601 | 0.000325 | 0.266099 | 0.266423 | 0.266423 | -35.195748 | 0.002714 | 0.002714 | 0.000945 | -35.135834 | 0.000091 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.3955466817565956, 0.0, -0.7571446123234472], [-1.3886822272442785, 2.082464284959447, -0.2242710101106369], [0.0, 0.0, 14.62406072]], "pbc": [true, true, true], "a": 2.51235186, "b": 2.51304463, "c": 14.62406072, "alp... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.3955466817565956,0.0,-0.7571446123234472],[-1.3886822272442785,2.082464284959447,-0.22427101011063685],[0.0,0.0,14.62406072]],"pbc":[true,true,true],"a":2.51235186,"b":2.51304463,"c":14.62406072,"alpha":95.12004448000002,"bet... | 0.002124 | 0.002714 | [
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cd-251023-9c8bd2e3bdad4b01b832402caf1f29bf | K8 Hg2 Te6 | K8 Hg2 Te6 | Pmn2_1 | 31 | -0.000191 | 2025-11-23 21:03:59 | 1,064 | 2.580195 | 2.65807 | 2.695968 | 0.077875 | 0.037898 | 0.115773 | 0.115773 | -40.903526 | 0.559648 | 0.161358 | 0.245645 | -42.091301 | 0.021635 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.900435563048663, 0.0, 0.0034535756401924], [0.0066631701917471, 8.682865218456337, 0.019315840844418], [0.0, 0.0, 16.11999385]], "pbc": [true, true, true], "a": 4.90043678, "b": 8.68288926, "c": 16.11999385, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.900435563048663,0.0,0.0034535756401924216],[0.006663170191747099,8.682865218456337,0.019315840844418047],[0.0,0.0,16.11999385]],"pbc":[true,true,true],"a":4.90043678,"b":8.68288926,"c":16.11999385,"alpha":89.87254046000001,"b... | 0.322217 | 0.559648 | [
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cd-251023-62379e39a60a42caa2ffbc59b883ffd3 | Cs2 Ga1 Ge3 Se8 | Cs2 Ga1 Ge3 Se8 | P-4 | 81 | 0.000265 | 2025-11-23 10:37:25 | 1,064 | 2.720625 | 2.431147 | 2.431055 | 0.289479 | 0.000092 | 0.289571 | 0.289571 | -54.564902 | 0.149341 | 0.140263 | 0.140453 | -55.190407 | 0.016174 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.294950760101372, 0.0, 0.0051048823852915], [0.0592345295387293, 8.711345540154257, -0.0090527730856566], [0.0, 0.0, 8.70495315]], "pbc": [true, true, true], "a": 6.29495283, "b": 8.71155163, "c": 8.70495315, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.294950760101372,0.0,0.0051048823852914696],[0.05923452953872933,8.711345540154257,-0.009052773085656577],[0.0,0.0,8.70495315]],"pbc":[true,true,true],"a":6.29495283,"b":8.71155163,"c":8.70495315,"alpha":90.05954,"beta":89.953... | 0.143352 | 0.149341 | [
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cd-251023-4741c43e7c5b4e73b6a5b1f1ce164ef1 | K3 Ge2 Te4 | K3 Ge2 Te4 | P1 | 1 | 0.000158 | 2025-11-23 21:20:54 | 1,064 | 2.656187 | 3.455344 | 2.923255 | 0.799157 | 0.532089 | 0.267068 | 0.799157 | -29.829062 | 0.318163 | 0.465728 | 0.850011 | -30.731003 | 0.040871 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2301844755303835, 0.0, 0.6159411922921602], [-1.5382893964518094, 7.967146584937642, -2.6635267300580034], [0.0, 0.0, 9.8898289]], "pbc": [true, true, true], "a": 4.27479172, "b": 8.54026543, "c": 9.8898289, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2301844755303835,0.0,0.6159411922921602],[-1.5382893964518094,7.967146584937642,-2.6635267300580034],[0.0,0.0,9.8898289]],"pbc":[true,true,true],"a":4.27479172,"b":8.54026543,"c":9.8898289,"alpha":108.17248515,"beta":81.71559... | 0.544634 | 0.850011 | [
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0.041829... | 1 | 1 | 0.41893 | 0.281363 | 0.427576 | 0.26804 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-b7263ed3166f47de96c2ac7b06603976 | Cs4 C2 O6 | Cs4 C2 O6 | Pmmn | 59 | 0.000224 | 2025-11-24 00:23:39 | 1,064 | 1.533526 | 1.637438 | 1.638659 | 0.103912 | 0.001221 | 0.105133 | 0.105133 | -72.385883 | 0.000913 | 0.001557 | 0.001556 | -72.387932 | 0.0136 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.179272058493961, 0.0, 0.0381607061713231], [-0.0001505036119096, 6.469622149491812, 0.0421354537323663], [0.0, 0.0, 9.26297054]], "pbc": [true, true, true], "a": 5.17941264, "b": 6.469759360000001, "c": 9.26297054, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.179272058493961,0.0,0.0381607061713231],[-0.00015050361190955267,6.469622149491812,0.04213545373236633],[0.0,0.0,9.26297054]],"pbc":[true,true,true],"a":5.17941264,"b":6.469759360000001,"c":9.26297054,"alpha":89.62684845,"bet... | 0.001342 | 0.001557 | [
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cd-251023-742879b910fb45728b01503907a21497 | Na5 I3 O10 | Na5 I3 O10 | P1 | 1 | 0.001879 | 2025-11-24 02:59:08 | 1,064 | 1.883778 | 2.130462 | 1.91985 | 0.246684 | 0.210612 | 0.036073 | 0.246684 | -79.146396 | 0.004353 | 0.008332 | 0.005052 | -78.953674 | 0.019404 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.900370649431737, 0.0, -0.4214927268439199], [-1.2922510184981446, 5.6695695650574836, -1.3477617840569613], [0.0, 0.0, 9.09787009]], "pbc": [true, true, true], "a": 5.915406150000001, "b": 5.96912, "c": 9.09787009, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.900370649431737,0.0,-0.4214927268439199],[-1.2922510184981446,5.6695695650574836,-1.3477617840569613],[0.0,0.0,9.09787009]],"pbc":[true,true,true],"a":5.915406150000001,"b":5.96912,"c":9.09787009,"alpha":103.04927999000002,"b... | 0.005912 | 0.008332 | [
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cd-251023-9b75ade50cf649b3a92d059230c5b132 | Tl4 P2 O6 F2 | Tl4 P2 O6 F2 | P2_1/m | 11 | -0.000562 | 2025-11-24 00:36:22 | 1,064 | 1.829676 | 1.913458 | 1.905392 | 0.083782 | 0.008066 | 0.075716 | 0.083782 | -78.960391 | 0.003717 | 0.004547 | 0.004251 | -79.325378 | 0.019773 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.206469308129079, 0.0, 0.3987683726600058], [0.040580974203527, 5.897929731960719, 0.0146885174698809], [0.0, 0.0, 9.37489425]], "pbc": [true, true, true], "a": 5.221718, "b": 5.89808763, "c": 9.37489425, "alpha": 89.8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.206469308129079,0.0,0.39876837266000575],[0.040580974203527034,5.897929731960719,0.014688517469880919],[0.0,0.0,9.37489425]],"pbc":[true,true,true],"a":5.221718,"b":5.89808763,"c":9.37489425,"alpha":89.85731122,"beta":85.6202... | 0.004171 | 0.004547 | [
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cd-251023-6a74e2da5f514d08b8dfca82350a32f9 | La1 Te1 | La4 Te4 | Fm-3m | 225 | 0.000008 | 2025-11-24 08:49:58 | 1,064 | 2.609117 | 2.619303 | 2.614352 | 0.010185 | 0.004951 | 0.005235 | 0.010185 | -11.205606 | 0.694545 | 0.678119 | 0.688431 | -11.261778 | 0 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9744595722102787, 0.0, 2.2917808576054934], [1.3276877338876165, 3.7357568057149577, 2.2886590722261473], [0.0, 0.0, 4.59047642]], "pbc": [true, true, true], "a": 4.58787406, "b": 4.57783726, "c": 4.59047642, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9744595722102787,0.0,2.2917808576054934],[1.3276877338876165,3.7357568057149577,2.2886590722261473],[0.0,0.0,4.59047642]],"pbc":[true,true,true],"a":4.58787406,"b":4.57783726,"c":4.59047642,"alpha":60.00375109000001,"beta":60... | 0.687032 | 0.694545 | [
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0.04419855275996... | 6 | 6 | 0.181349 | 0.961421 | 0.181349 | 0.961421 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-20dd829d1d3f43199874abed0e1504df | Cd1 I2 O6 | Cd1 I2 O6 | P3 | 143 | 0.001551 | 2025-11-24 01:59:03 | 1,064 | 1.944329 | 2.28205 | 2.280625 | 0.33772 | 0.001425 | 0.336296 | 0.33772 | -38.320009 | 0.00414 | 0.007121 | 0.007125 | -38.578911 | 0.004387 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.049926454013131, 0.0, 0.0245771285374433], [0.0012915487248316, 5.139322630934163, -2.9555366277193804], [0.0, 0.0, 5.92694419]], "pbc": [true, true, true], "a": 5.04998626, "b": 5.928560999999999, "c": 5.92694419, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.049926454013131,0.0,0.024577128537443267],[0.0012915487248315737,5.139322630934163,-2.9555366277193804],[0.0,0.0,5.92694419]],"pbc":[true,true,true],"a":5.04998626,"b":5.928560999999999,"c":5.92694419,"alpha":119.902471089999... | 0.006129 | 0.007125 | [
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cd-251023-54d77020ec6b4615a19de9dae65f53c1 | Mg1 N2 O6 | Mg1 N2 O6 | P-3 | 147 | 0.001342 | 2025-11-24 02:33:07 | 1,064 | 1.778824 | 1.778768 | 1.347108 | 0.000056 | 0.43166 | 0.431716 | 0.431716 | -55.764674 | 0.003851 | 0.003851 | 0.000557 | -55.815063 | 0.005013 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.897255945384657, 0.0, -0.0232993589160553], [-2.4492543902577615, 4.237025248434786, 0.0711108451286209], [0.0, 0.0, 6.56258621]], "pbc": [true, true, true], "a": 4.89731137, "b": 4.89451599, "c": 6.56258621, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.897255945384657,0.0,-0.023299358916055276],[-2.4492543902577615,4.237025248434786,0.0711108451286209],[0.0,0.0,6.56258621]],"pbc":[true,true,true],"a":4.89731137,"b":4.89451599,"c":6.56258621,"alpha":89.1675388,"beta":90.2725... | 0.002753 | 0.003851 | [
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cd-251023-4d29fe913fe245a0b28fcecae430da73 | Sr2 Ca1 P2 | Sr2 Ca1 P2 | P3m1 | 156 | 0.00507 | 2025-11-24 09:08:22 | 1,064 | 2.869562 | 2.87038 | 2.962113 | 0.000818 | 0.091732 | 0.09255 | 0.09255 | -21.361135 | 0.031416 | 0.031372 | 0.036207 | -21.551838 | 0.004213 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.846279200260504, 0.0, -0.0039130192715677], [-2.418247725682571, 4.20221786993066, 0.0056289846034778], [0.0, 0.0, 7.33078856]], "pbc": [true, true, true], "a": 4.846280780000001, "b": 4.84835939, "c": 7.33078856, "al... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.846279200260504,0.0,-0.00391301927156766],[-2.418247725682571,4.20221786993066,0.005628984603477814],[0.0,0.0,7.33078856]],"pbc":[true,true,true],"a":4.846280780000001,"b":4.84835939,"c":7.33078856,"alpha":89.93347912,"beta":... | 0.032998 | 0.036207 | [
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0.0... | 6 | 6 | 0.242807 | 0.163107 | 0.243395 | 0.164483 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-6f6a66cc903947ff98508acb24217fc9 | Ta2 Te4 | Ta4 Te8 | C2/m | 12 | -0.001907 | 2025-11-24 03:20:24 | 1,064 | 3.354954 | 3.066942 | 3.8514 | 0.288012 | 0.784458 | 0.496446 | 0.784458 | -38.190389 | 2.65336 | 0.929264 | 1.736888 | -38.399105 | 0.013592 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.620000367871886, 0.0, -0.0001241271414047], [-1.8049266424546218, 7.139815159118868, -1.3966381470170868], [0.0, 0.0, 6.64535757]], "pbc": [true, true, true], "a": 3.62000037, "b": 7.4956866799999995, "c": 6.64535757,... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.620000367871886,0.0,-0.00012412714140470338],[-1.8049266424546218,7.139815159118868,-1.3966381470170868],[0.0,0.0,6.64535757]],"pbc":[true,true,true],"a":3.62000037,"b":7.4956866799999995,"c":6.64535757,"alpha":100.73842625,"... | 1.773171 | 2.65336 | [
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0.12059222... | 6 | 6 | 1.508308 | 1.958398 | 1.516893 | 1.979328 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-13bad313d49443a8a7ca5892e371a0b0 | K2 As2 O2 F4 | K2 As2 O2 F4 | P2_1 | 4 | -0.001624 | 2025-11-24 00:29:54 | 1,064 | 1.741525 | 1.712864 | 1.665174 | 0.028661 | 0.04769 | 0.076351 | 0.076351 | -49.703157 | 0.003015 | 0.002131 | 0.002162 | -50.139236 | 0.027413 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.555612769216195, 0.0, -0.0060676609107922], [5.52119635343e-05, 6.700136438739418, -1.6290279078896703], [0.0, 0.0, 6.17297357]], "pbc": [true, true, true], "a": 4.55561681, "b": 6.895328870000001, "c": 6.17297357, "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.555612769216195,0.0,-0.006067660910792239],[0.00005521196353426882,6.700136438739418,-1.6290279078896703],[0.0,0.0,6.17297357]],"pbc":[true,true,true],"a":4.55561681,"b":6.895328870000001,"c":6.17297357,"alpha":103.66537271,"... | 0.002436 | 0.003015 | [
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-0.12... | 8 | 8 | 0.072134 | 0.009146 | 0.072218 | 0.008759 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-b2ca7979fa7e4ef1ba935aa3eeacc02a | Cs3 C2 O6 | Cs9 C6 O18 | R-3m | 166 | -0.000018 | 2025-11-23 23:52:29 | 1,064 | 2.063909 | 1.985862 | 1.613273 | 0.078047 | 0.372589 | 0.450636 | 0.450636 | -68.493095 | 0.11454 | 0.103179 | 0.035332 | -68.675888 | 0.008745 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.039153793307828, 0.0, 0.0016547077761463], [-3.0093191968509707, 4.7796785668441455, -2.173489483373755], [0.0, 0.0, 8.44798554]], "pbc": [true, true, true], "a": 6.03915402, "b": 6.05189109, "c": 8.44798554, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.039153793307828,0.0,0.0016547077761463159],[-3.0093191968509707,4.7796785668441455,-2.173489483373755],[0.0,0.0,8.44798554]],"pbc":[true,true,true],"a":6.03915402,"b":6.05189109,"c":8.44798554,"alpha":111.04752497,"beta":89.9... | 0.08435 | 0.11454 | [
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cd-251023-0a45b9fab8724deca42582e760299165 | Nb1 I1 O5 | Nb1 I1 O5 | Pm | 6 | 0.003416 | 2025-11-24 02:33:46 | 1,064 | 2.443121 | 2.483788 | 2.185968 | 0.040667 | 0.29782 | 0.257153 | 0.29782 | -46.61106 | 0.011788 | 0.010085 | 0.007411 | -45.994217 | 0.016597 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.880220912235613, 0.0, 0.0012999799631611], [-0.0322522306897897, 4.208721132948408, -0.0129300924310702], [0.0, 0.0, 6.87396747]], "pbc": [true, true, true], "a": 3.88022113, "b": 4.208864569999999, "c": 6.87396747, "... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.880220912235613,0.0,0.001299979963161091],[-0.03225223068978974,4.208721132948408,-0.012930092431070241],[0.0,0.0,6.87396747]],"pbc":[true,true,true],"a":3.88022113,"b":4.208864569999999,"c":6.87396747,"alpha":90.17601918,"be... | 0.009762 | 0.011788 | [
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cd-251023-cb9f2a66a19e40c293bd21e1a864456e | K3 C2 O6 | K6 C4 O12 | C2/m | 12 | 0.000708 | 2025-11-24 01:04:12 | 1,064 | 1.891954 | 1.629266 | 1.569001 | 0.262688 | 0.060265 | 0.322953 | 0.322953 | -69.220564 | 0.062369 | 0.054841 | 0.068292 | -69.538193 | 0.038507 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.8491818872869645, 0.0, 0.0215512959292525], [-2.894101204947338, 4.90452976865939, -0.9228330250311213], [0.0, 0.0, 6.8119374]], "pbc": [true, true, true], "a": 5.849221589999999, "b": 5.769042800000001, "c": 6.811937... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8491818872869645,0.0,0.02155129592925245],[-2.894101204947338,4.90452976865939,-0.9228330250311213],[0.0,0.0,6.8119374]],"pbc":[true,true,true],"a":5.849221589999999,"b":5.769042800000001,"c":6.8119374,"alpha":99.20474491,"be... | 0.061834 | 0.068292 | [
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cd-251023-4a98e1e37ed846ee883dd76048cb2880 | K1 Bi1 I4 O12 | K1 Bi1 I4 O12 | P3 | 143 | 0.001783 | 2025-11-24 01:57:33 | 1,064 | 2.394994 | 2.395287 | 2.012446 | 0.000292 | 0.38284 | 0.382548 | 0.38284 | -81.582196 | 0.009896 | 0.009894 | 0.006336 | -81.654694 | 0.020669 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.138603110246468, 0.0, -0.0230405130305273], [-3.0676884653158143, 5.317207223716956, 0.0450221719519644], [0.0, 0.0, 9.9976649]], "pbc": [true, true, true], "a": 6.13864635, "b": 6.13884616, "c": 9.9976649, "alpha": 8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.138603110246468,0.0,-0.023040513030527267],[-3.0676884653158143,5.317207223716956,0.045022171951964444],[0.0,0.0,9.9976649]],"pbc":[true,true,true],"a":6.13864635,"b":6.13884616,"c":9.9976649,"alpha":89.57979016,"beta":90.215... | 0.008709 | 0.009896 | [
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cd-251023-2b8f2f68b82b4996acaf0c5b7e04b61e | La2 Br2 N1 | La2 Br2 N1 | P-3m1 | 164 | 0.009608 | 2025-11-24 06:20:13 | 1,064 | 2.321906 | 2.322811 | 2.698109 | 0.000905 | 0.375298 | 0.376203 | 0.376203 | -29.838801 | 1.20849 | 1.195513 | 0.198973 | -29.98703 | 0.004285 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9084030388441966, 0.0, -0.0028800781686493], [-1.9567350485206307, 3.382441306275204, 0.0159793812046776], [0.0, 0.0, 10.86564336]], "pbc": [true, true, true], "a": 3.9084041, "b": 3.90768174, "c": 10.86564336, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9084030388441966,0.0,-0.0028800781686492737],[-1.9567350485206307,3.382441306275204,0.01597938120467763],[0.0,0.0,10.86564336]],"pbc":[true,true,true],"a":3.9084041,"b":3.90768174,"c":10.86564336,"alpha":89.76570414,"beta":90... | 0.867658 | 1.20849 | [
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cd-251023-3a3fd8073f9f477aaf1b2613de80e765 | K2 O2 | K4 O4 | Immm | 71 | -0.000017 | 2025-11-24 02:18:53 | 1,064 | 1.647973 | 1.692072 | 1.661327 | 0.044099 | 0.030745 | 0.013354 | 0.044099 | -16.237224 | 0.003944 | 0.002571 | 0.002739 | -16.381372 | 0.002873 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7105885612184744, 0.0, -1.679382435291879], [-1.5491686575012165, 4.395987349616278, 1.4707137419934406], [0.0, 0.0, 4.89247152]], "pbc": [true, true, true], "a": 4.07293418, "b": 4.88749703, "c": 4.89247152, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.7105885612184744,0.0,-1.679382435291879],[-1.5491686575012165,4.395987349616278,1.4707137419934406],[0.0,0.0,4.89247152]],"pbc":[true,true,true],"a":4.07293418,"b":4.88749703,"c":4.89247152,"alpha":72.48752287,"beta":114.3511... | 0.003085 | 0.003944 | [
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cd-251023-d2dff926ea224309abd199110599d04f | K4 Rb2 P2 | K4 Rb2 P2 | P2_1/m | 11 | -0.003207 | 2025-11-24 04:38:48 | 1,064 | 2.58653 | 2.792387 | 2.65294 | 0.205856 | 0.139446 | 0.06641 | 0.205856 | -18.302347 | 0.585611 | 1.500974 | 1.705636 | -19.034525 | 0.022266 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.968815789736167, 0.0, -0.01166826303295], [0.0116076348527625, 7.908224016482013, -4.197431087380634], [0.0, 0.0, 8.66287673]], "pbc": [true, true, true], "a": 4.96882949, "b": 8.95313183, "c": 8.66287673, "alpha": 11... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.968815789736167,0.0,-0.01166826303294997],[0.011607634852762548,7.908224016482013,-4.197431087380634],[0.0,0.0,8.66287673]],"pbc":[true,true,true],"a":4.96882949,"b":8.95313183,"c":8.66287673,"alpha":117.95790001,"beta":90.13... | 1.264074 | 1.705636 | [
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cd-251023-e8651c6ec6b84fd5818e98ac4e399822 | Ca1 O2 | Ca2 O4 | Immm | 71 | -0.001549 | 2025-11-24 03:01:27 | 1,064 | 1.805105 | 2.029805 | 1.771103 | 0.2247 | 0.258702 | 0.034001 | 0.258702 | -17.726973 | 0.0018 | 0.002981 | 0.00271 | -17.855194 | 0.001977 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.604994170729079, 0.0, 0.0029255042656267], [-2.3041655267958965, 2.110913897187315, 2.000235983679537], [0.0, 0.0, 4.03742906]], "pbc": [true, true, true], "a": 4.6049951, "b": 3.71026687, "c": 4.03742906, "alpha": 57... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.604994170729079,0.0,0.0029255042656266585],[-2.3041655267958965,2.110913897187315,2.000235983679537],[0.0,0.0,4.03742906]],"pbc":[true,true,true],"a":4.6049951,"b":3.71026687,"c":4.03742906,"alpha":57.377036580000016,"beta":8... | 0.002497 | 0.002981 | [
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cd-251023-33d93bd2da724d67a59137bddd1e6c3f | Rb4 Tl2 | Rb8 Tl4 | C2/m | 12 | -0.000233 | 2025-11-24 03:33:40 | 1,064 | 2.535806 | 1.953511 | 1.524305 | 0.582295 | 0.429206 | 1.011501 | 1.011501 | -8.483536 | 3.607452 | 2.646773 | 2.656653 | -8.872321 | 0.028657 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.120569558152519, 0.0, -1.3392388668536603], [-0.4130409159083325, 7.244532312580992, -1.461385934558286], [0.0, 0.0, 10.26757529]], "pbc": [true, true, true], "a": 5.29280581, "b": 7.40199298, "c": 10.26757529, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.120569558152519,0.0,-1.3392388668536603],[-0.4130409159083325,7.244532312580992,-1.461385934558286],[0.0,0.0,10.26757529]],"pbc":[true,true,true],"a":5.29280581,"b":7.40199298,"c":10.26757529,"alpha":101.38679510999998,"beta"... | 2.970293 | 3.607452 | [
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cd-251023-90218f52f6e844cfb153f0e8f2d65b8b | Ta4 Te4 H1 Se2 | Ta4 Te4 H1 Se2 | Pm | 6 | -0.00041 | 2025-11-24 06:17:32 | 1,064 | 2.860594 | 3.109977 | 4.331758 | 0.249383 | 1.221781 | 1.471164 | 1.471164 | -74.777766 | 2.030172 | 0.444923 | 3.265337 | -75.296677 | 0.025602 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5231901550530487, 0.0, 0.0016036069172137], [0.0371282752712504, 7.833480140226823, -1.1597679444937585], [0.0, 0.0, 10.20517711]], "pbc": [true, true, true], "a": 3.52319052, "b": 7.91895519, "c": 10.20517711, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5231901550530487,0.0,0.0016036069172137037],[0.03712827527125044,7.833480140226823,-1.1597679444937585],[0.0,0.0,10.20517711]],"pbc":[true,true,true],"a":3.52319052,"b":7.91895519,"c":10.20517711,"alpha":98.42152481,"beta":89... | 1.913478 | 3.265337 | [
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cd-251023-8ae841ced5d14b5d9025116a188ad0ec | K5 Hf2 As5 | K5 Hf2 As5 | P1 | 1 | 0.003016 | 2025-11-24 05:56:31 | 1,064 | 3.326225 | 2.740313 | 2.794343 | 0.585912 | 0.05403 | 0.531882 | 0.585912 | -55.401592 | 0.166345 | 0.115388 | 0.146117 | -55.878174 | 0.027981 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.258186960316245, 0.0, -3.107799478563916], [-1.8014197249729313, 7.545554199197926, -2.313167655523609], [0.0, 0.0, 8.69666337]], "pbc": [true, true, true], "a": 6.98736872, "b": 8.09513717, "c": 8.69666337, "alpha": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.258186960316245,0.0,-3.107799478563916],[-1.8014197249729313,7.545554199197926,-2.313167655523609],[0.0,0.0,8.69666337]],"pbc":[true,true,true],"a":6.98736872,"b":8.09513717,"c":8.69666337,"alpha":106.6035535,"beta":116.40887... | 0.142617 | 0.166345 | [
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cd-251023-a41fc0e21012458ebe9eec9bffae3500 | Sr6 Ge4 P8 | Sr3 Ge2 P4 | P2/m | 10 | 0.001845 | 2025-11-24 06:37:01 | 1,064 | 3.991612 | 3.653048 | 3.667499 | 0.338564 | 0.014451 | 0.324112 | 0.338564 | -84.248593 | 0.435275 | 0.427739 | 0.505126 | -85.192993 | 0.012112 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.384067512723547, 0.0, 3.723501692641765], [2.9105144800013782, 6.785137874872547, 3.7233403596752233], [0.0, 0.0, 9.2057733]], "pbc": [true, true, true], "a": 8.26975924, "b": 8.26876375, "c": 9.2057733, "alpha": 63.2... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.384067512723547,0.0,3.723501692641765],[2.9105144800013782,6.785137874872547,3.7233403596752233],[0.0,0.0,9.2057733]],"pbc":[true,true,true],"a":8.26975924,"b":8.26876375,"c":9.2057733,"alpha":63.23771828,"beta":63.23994467,"... | 0.456047 | 0.505126 | [
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cd-251023-3902bfedf54940f9a75fbbf2c8433c8b | Rb4 Sn4 As4 | Rb4 Sn4 As4 | Pnma | 62 | -0.001174 | 2025-11-24 08:24:47 | 1,064 | 3.872044 | 2.97855 | 3.054536 | 0.893494 | 0.075985 | 0.817509 | 0.893494 | -41.870054 | 0.504307 | 0.949875 | 0.384821 | -43.411072 | 0.090977 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.127647129211609, 0.0, -0.0024223475863547], [0.0149150236007011, 8.435974552078587, 0.0161416146527327], [0.0, 0.0, 12.19206942]], "pbc": [true, true, true], "a": 4.12764784, "b": 8.436003180000002, "c": 12.19206942, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.127647129211609,0.0,-0.0024223475863546597],[0.014915023600701115,8.435974552078587,0.016141614652732714],[0.0,0.0,12.19206942]],"pbc":[true,true,true],"a":4.12764784,"b":8.436003180000002,"c":12.19206942,"alpha":89.89036906,... | 0.613001 | 0.949875 | [
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cd-251023-4984796c53324b02a5589b4d46665ca2 | Rb6 As2 S6 | Rb6 As2 S6 | P2_1/m | 11 | 0.001944 | 2025-11-24 03:18:43 | 1,064 | 2.043028 | 2.113168 | 2.196178 | 0.07014 | 0.08301 | 0.15315 | 0.15315 | -52.438292 | 0.008003 | 0.008897 | 0.009949 | -52.586277 | 0.027264 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.568135444810613, 0.0, -0.0023070929141294], [0.4820048862408685, 6.822022823611399, -0.0166296739048059], [0.0, 0.0, 10.80174268]], "pbc": [true, true, true], "a": 6.56813585, "b": 6.83904969, "c": 10.80174268, "alpha... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.568135444810613,0.0,-0.0023070929141293965],[0.4820048862408685,6.822022823611399,-0.016629673904805877],[0.0,0.0,10.80174268]],"pbc":[true,true,true],"a":6.56813585,"b":6.83904969,"c":10.80174268,"alpha":90.13931922,"beta":9... | 0.00895 | 0.009949 | [
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cd-251023-42128eb949f9488c8173b633666c34de | Cs4 Hf2 P4 | Cs8 Hf4 P8 | Ibam | 72 | null | 2025-11-24 09:35:03 | 1,064 | 3.633269 | 2.538159 | 2.703479 | 1.09511 | 0.16532 | 0.92979 | 1.09511 | -51.82209 | 0.918773 | 0.051474 | 0.250196 | -52.155727 | 0.003706 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.222780062865555, 0.0, -2.551994307211493], [-1.4861640503036837, 6.9893328600610225, -3.6449249795059435], [0.0, 0.0, 8.84867318]], "pbc": [true, true, true], "a": 6.72574655, "b": 8.0215295, "c": 8.84867318, "alpha":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.222780062865555,0.0,-2.551994307211493],[-1.4861640503036837,6.9893328600610225,-3.6449249795059435],[0.0,0.0,8.84867318]],"pbc":[true,true,true],"a":6.72574655,"b":8.0215295,"c":8.84867318,"alpha":117.02587055,"beta":112.298... | 0.406815 | 0.918773 | [
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cd-251023-ca0117880c3243caa2f3c039ded2d257 | I5 O12 F1 | I5 O12 F1 | P1 | 1 | 0.001436 | 2025-11-24 02:34:12 | 1,064 | 2.269934 | 2.180295 | 2.298029 | 0.089639 | 0.117734 | 0.028096 | 0.117734 | -74.467062 | 0.01 | 0.009334 | 0.011814 | -74.709908 | 0.037174 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.73799849993425, 0.0, -1.2501731158990084], [-0.0834769812487043, 6.1949825501001055, -0.8913746498221777], [0.0, 0.0, 9.68704076]], "pbc": [true, true, true], "a": 5.87261097, "b": 6.259339100000001, "c": 9.68704076, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.73799849993425,0.0,-1.2501731158990084],[-0.0834769812487043,6.1949825501001055,-0.8913746498221777],[0.0,0.0,9.68704076]],"pbc":[true,true,true],"a":5.87261097,"b":6.259339100000001,"c":9.68704076,"alpha":98.18716175,"beta":... | 0.010383 | 0.011814 | [
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cd-251023-f6ef48438d774f7a90506d3890701b90 | Sc1 Cu1 Te2 | Sc1 Cu1 Te2 | P3m1 | 156 | 0.000262 | 2025-11-24 06:52:52 | 1,064 | 4.286783 | 4.242453 | 3.189364 | 0.04433 | 1.05309 | 1.097419 | 1.097419 | -19.354547 | 1.465575 | 1.51179 | 0.120996 | -19.876961 | 0.008031 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2971602908245, 0.0, -0.0142021888747368], [-2.176677138319149, 3.7317908006445784, 0.0432763567454546], [0.0, 0.0, 7.26426871]], "pbc": [true, true, true], "a": 4.29718376, "b": 4.32042345, "c": 7.26426871, "alpha": 8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2971602908245,0.0,-0.01420218887473684],[-2.176677138319149,3.7317908006445784,0.04327635674545461],[0.0,0.0,7.26426871]],"pbc":[true,true,true],"a":4.29718376,"b":4.32042345,"c":7.26426871,"alpha":89.42607615,"beta":90.18936... | 1.032787 | 1.51179 | [
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cd-251023-d6a1e0c88c474cd19dea09ee0882d584 | Na1 Be1 S1 F1 | Na1 Be1 S1 F1 | P3m1 | 156 | null | 2025-11-24 05:39:40 | 1,064 | 2.005844 | 2.006443 | 1.805077 | 0.000598 | 0.201365 | 0.200767 | 0.201365 | -18.861287 | 0.00344 | 0.003464 | 0.001994 | -18.794716 | 0.005794 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.498426996499301, 0.0, 0.0022027990413904], [-1.7451868073183439, 3.033727952141521, -0.0063491961337561], [0.0, 0.0, 5.48016396]], "pbc": [true, true, true], "a": 3.49842769, "b": 3.4998889400000004, "c": 5.48016396, ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.498426996499301,0.0,0.002202799041390416],[-1.7451868073183439,3.033727952141521,-0.006349196133756124],[0.0,0.0,5.48016396]],"pbc":[true,true,true],"a":3.49842769,"b":3.4998889400000004,"c":5.48016396,"alpha":90.10394111,"be... | 0.002966 | 0.003464 | [
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-0.047458697... | 6 | 6 | 0.144509 | 0.024663 | 0.148965 | 0.023362 | crystal-diffusers | test_08-25_11-04/epoch=149-step=2400.ckpt |
cd-251023-0a3e969b6efc4b3a97e7e528118aef15 | Sb2 P2 O8 | Sb4 P4 O16 | Ama2 | 40 | 0.001151 | 2025-11-24 00:11:09 | 1,064 | 1.974819 | 1.983686 | 2.051589 | 0.008867 | 0.067902 | 0.076769 | 0.076769 | -81.192051 | 0.003393 | 0.003478 | 0.003948 | -81.105713 | 0.008242 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9577510734645305, 0.0, -0.0081789566848502], [-0.3408820063139674, 4.957832202502591, 0.0081717895708122], [0.0, 0.0, 6.94978679]], "pbc": [true, true, true], "a": 4.95775782, "b": 4.96954399, "c": 6.94978679, "alpha"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.9577510734645305,0.0,-0.008178956684850212],[-0.34088200631396737,4.957832202502591,0.008171789570812231],[0.0,0.0,6.94978679]],"pbc":[true,true,true],"a":4.95775782,"b":4.96954399,"c":6.94978679,"alpha":89.90578426,"beta":90... | 0.003606 | 0.003948 | [
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-0.151... | 8 | 8 | 0.083088 | 0.019453 | 0.084317 | 0.019841 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
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