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"id": "jvasp-96754",
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"structure_string": "Mn4 Te8 O20\n1.0\n6.135755 0.000000 0.000000\n-0.000000 7.378635 0.000000\n0.000000 0.000000 10.851847\nMn Te O\n4 8 20\ndirect\n0.250000 0.500000 0.555649 Mn\n0.749999 0.000000 0.944352 Mn\n0.749999 0.500000 0.444352 Mn\n0.250000 0.000000 0.055648 Mn\n0.990452 0.130609 0.655099 Te\n0.009548 0.630609 0.844901 Te\n0.509547 0.869390 0.655099 Te\n0.490452 0.130609 0.344901 Te\n0.990452 0.369391 0.155099 Te\n0.509547 0.630609 0.155099 Te\n0.009548 0.869390 0.344901 Te\n0.490452 0.369391 0.844901 Te\n0.184979 0.805851 0.207007 O\n0.684978 0.694148 0.292993 O\n0.815021 0.305852 0.292993 O\n0.315021 0.194148 0.207007 O\n0.952720 0.347970 0.564865 O\n0.749999 0.500000 0.060378 O\n0.250000 0.000000 0.439622 O\n0.684978 0.805851 0.792993 O\n0.184979 0.694148 0.707007 O\n0.315021 0.305852 0.707007 O\n0.815021 0.194148 0.792993 O\n0.452721 0.347970 0.435135 O\n0.952720 0.152029 0.064865 O\n0.547279 0.847970 0.064865 O\n0.047279 0.652029 0.435135 O\n0.547279 0.652029 0.564865 O\n0.047279 0.847970 0.935136 O\n0.452721 0.152029 0.935136 O\n0.749999 0.000000 0.560379 O\n0.250000 0.500000 0.939622 O\n",
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{
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"updated_at": "2022-09-04T14:36:19.709609Z",
"structure_string": "Ni6 P4 O16\n1.0\n4.700323 0.000000 0.000000\n0.000000 5.811731 -0.137862\n0.000000 -0.041057 10.127187\nNi P O\n6 4 16\ndirect\n0.000000 0.500000 0.000000 Ni\n0.985146 0.244301 0.273260 Ni\n0.485146 0.755698 0.226741 Ni\n0.514852 0.244301 0.773260 Ni\n0.014854 0.755698 0.726740 Ni\n0.500000 0.500000 0.500000 Ni\n0.422215 0.248157 0.093974 P\n0.922216 0.751843 0.406026 P\n0.577785 0.751843 0.906026 P\n0.077785 0.248157 0.593975 P\n0.752125 0.264621 0.600087 O\n0.193291 0.254341 0.450465 O\n0.693291 0.745658 0.049535 O\n0.235419 0.466500 0.662435 O\n0.747873 0.264622 0.100087 O\n0.806709 0.745658 0.549535 O\n0.306709 0.254340 0.950465 O\n0.296844 0.047326 0.171889 O\n0.796844 0.952673 0.328111 O\n0.703154 0.952671 0.828111 O\n0.203154 0.047326 0.671890 O\n0.264582 0.466500 0.162435 O\n0.764582 0.533500 0.337565 O\n0.735419 0.533500 0.837565 O\n0.247873 0.735377 0.399914 O\n0.252125 0.735377 0.899913 O\n",
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{
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"created_at": "2022-09-04T14:38:10.268760Z",
"updated_at": "2022-09-04T14:38:10.268791Z",
"structure_string": "Zn2 Cr4 Se8\n1.0\n6.468093 0.000000 3.734355\n2.156031 6.098176 3.734355\n0.000000 0.000000 7.468710\nZn Cr Se\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.874999 0.875001 0.874999 Zn\n0.500000 -0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.260114 0.260114 0.260113 Se\n0.739886 0.739887 0.280341 Se\n0.280341 0.739887 0.739885 Se\n0.739886 0.280342 0.739886 Se\n0.719658 0.260114 0.260113 Se\n0.260113 0.719659 0.260113 Se\n0.260114 0.260114 0.719658 Se\n0.739886 0.739887 0.739885 Se\n",
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{
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"created_at": "2022-09-04T14:36:20.617661Z",
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"structure_string": "P4 Au4 Cl32\n1.0\n10.345849 -0.181486 -4.992841\n-6.734117 9.282698 -0.693665\n-0.121147 0.181486 11.486965\nP Au Cl\n4 4 32\ndirect\n-0.000000 0.250151 0.250151 P\n0.500000 0.749849 0.249849 P\n-0.000000 0.749849 0.749849 P\n0.500000 0.250151 0.750151 P\n0.085559 0.835559 0.250000 Au\n0.914441 0.164441 0.750000 Au\n0.424315 0.674315 0.750000 Au\n0.575685 0.325685 0.250000 Au\n0.309200 0.585939 0.078056 Cl\n0.690800 0.414061 0.921944 Cl\n0.992117 0.768856 0.578056 Cl\n0.710143 0.960143 0.750000 Cl\n0.289857 0.039857 0.250000 Cl\n0.119975 0.369975 0.750000 Cl\n0.880025 0.630025 0.250000 Cl\n0.914193 0.309410 0.895217 Cl\n0.914193 0.018977 0.604783 Cl\n0.085806 0.690590 0.104783 Cl\n0.085806 0.981024 0.395217 Cl\n0.618030 0.676389 0.941642 Cl\n0.234747 0.676389 0.558359 Cl\n0.765253 0.323611 0.441641 Cl\n0.381970 0.323612 0.058358 Cl\n0.424506 0.819907 0.895401 Cl\n0.424506 0.529105 0.604599 Cl\n0.575494 0.180093 0.104599 Cl\n0.575494 0.470895 0.395401 Cl\n0.007883 0.585940 0.776739 Cl\n0.192763 0.288283 0.260897 Cl\n0.807237 0.068134 0.095519 Cl\n0.472614 0.711718 0.404481 Cl\n0.472614 0.068134 0.760897 Cl\n0.807237 0.711718 0.739103 Cl\n0.192763 0.931867 0.904481 Cl\n0.527385 0.288283 0.595519 Cl\n0.690800 0.768856 0.276739 Cl\n0.992117 0.414061 0.223261 Cl\n0.007883 0.231144 0.421944 Cl\n0.309200 0.231144 0.723261 Cl\n0.527385 0.931866 0.239103 Cl\n",
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{
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"created_at": "2022-09-04T14:36:21.975524Z",
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"structure_string": "Li12 As4 S12\n1.0\n6.649222 0.000000 0.000000\n0.000000 7.932393 0.000000\n0.000000 0.000000 9.882870\nLi As S\n12 4 12\ndirect\n0.122185 0.750557 0.886901 Li\n0.877814 0.249442 0.386901 Li\n0.377814 0.250557 0.886901 Li\n0.622185 0.749442 0.386901 Li\n0.348317 0.085041 0.188297 Li\n0.651682 0.914958 0.688297 Li\n0.453479 0.566475 0.721284 Li\n0.546520 0.433525 0.221284 Li\n0.046520 0.066475 0.721284 Li\n0.953479 0.933525 0.221284 Li\n0.151682 0.585041 0.188297 Li\n0.848317 0.414959 0.688297 Li\n0.895303 0.249726 0.000876 As\n0.104696 0.750274 0.500876 As\n0.604696 0.749726 0.000876 As\n0.395304 0.250274 0.500876 As\n0.297129 0.843474 0.677229 S\n0.211122 0.320234 0.313405 S\n0.788878 0.679766 0.813405 S\n0.360383 0.542526 0.991308 S\n0.639617 0.457474 0.491308 S\n0.139617 0.042526 0.991308 S\n0.860383 0.957474 0.491308 S\n0.288878 0.820234 0.313405 S\n0.711122 0.179766 0.813405 S\n0.797129 0.656526 0.177229 S\n0.702871 0.156526 0.177229 S\n0.202871 0.343474 0.677229 S\n",
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"structure_string": "S14 N12 O16\n1.0\n4.834222 -0.000000 -0.000000\n-0.000000 11.589268 0.000000\n0.000000 -0.000000 11.589268\nS N O\n14 12 16\ndirect\n0.301804 0.766174 0.733826 S\n0.698196 0.266174 0.766174 S\n0.301804 0.233826 0.266174 S\n0.573659 0.000000 0.500000 S\n0.109435 0.280968 0.039381 S\n0.890565 0.039381 0.719032 S\n0.890565 0.960619 0.280968 S\n0.109435 0.719032 0.960619 S\n0.890565 0.780968 0.460619 S\n0.890565 0.219032 0.539381 S\n0.109435 0.460619 0.219032 S\n0.109435 0.539381 0.780968 S\n0.426340 0.500000 0.000000 S\n0.698196 0.733826 0.233826 S\n0.244044 0.639611 0.699141 N\n0.244044 0.199141 0.139610 N\n0.211357 0.418770 0.081230 N\n0.788643 0.081230 0.581230 N\n0.788643 0.918770 0.418770 N\n0.211357 0.581230 0.918770 N\n0.244044 0.360390 0.300859 N\n0.755956 0.300859 0.639611 N\n0.755956 0.699141 0.360390 N\n0.244044 0.800859 0.860390 N\n0.755956 0.860390 0.199141 N\n0.755956 0.139610 0.800859 N\n0.756906 0.932701 0.742484 O\n0.243093 0.432701 0.757516 O\n0.814724 0.548137 0.775047 O\n0.185275 0.775047 0.451864 O\n0.814724 0.724954 0.951864 O\n0.185275 0.951864 0.275046 O\n0.185275 0.048137 0.724954 O\n0.814724 0.275046 0.048137 O\n0.185275 0.224954 0.548137 O\n0.243093 0.257516 0.932701 O\n0.756906 0.242484 0.432701 O\n0.756906 0.757516 0.567299 O\n0.243093 0.742484 0.067299 O\n0.756906 0.067299 0.257516 O\n0.814724 0.451864 0.224954 O\n0.243093 0.567299 0.242484 O\n",
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"created_at": "2022-09-04T14:36:33.722766Z",
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"structure_string": "Sr2 Cl4 O12\n1.0\n6.608621 -0.047147 -1.904700\n-3.487075 5.613948 -1.904700\n0.012360 0.022041 7.293459\nSr Cl O\n2 4 12\ndirect\n-0.000453 -0.000453 -0.000000 Sr\n0.749547 0.249547 0.500000 Sr\n0.613293 0.221220 0.959542 Cl\n0.261678 0.653751 0.040458 Cl\n0.971220 0.863293 0.459542 Cl\n0.403751 0.511678 0.540458 Cl\n0.609627 0.588520 0.742735 O\n0.845786 0.866892 0.257265 O\n0.363185 0.281383 0.387126 O\n0.191249 0.441745 0.581765 O\n0.726058 0.144256 0.112874 O\n0.616892 0.095785 0.757265 O\n0.338521 0.859627 0.242735 O\n0.359484 0.109980 0.918236 O\n0.191745 0.441249 0.081765 O\n0.859980 0.609484 0.418236 O\n0.031383 0.613185 0.887126 O\n0.894257 0.976058 0.612874 O\n",
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"elements": [
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{
"id": "jvasp-9677",
"created_at": "2022-09-04T14:38:07.269607Z",
"updated_at": "2022-09-04T14:38:07.269632Z",
"structure_string": "Pr2 Nb2 O8\n1.0\n4.908934 0.024354 -1.854045\n-1.231562 4.973296 -2.112642\n-0.021897 0.008464 6.826570\nPr Nb O\n2 2 8\ndirect\n0.878856 0.128857 0.757716 Pr\n0.121142 0.871142 0.242284 Pr\n0.355867 0.605867 0.711735 Nb\n0.644132 0.394132 0.288266 Nb\n0.299860 0.140450 0.085121 O\n0.785261 0.444671 0.085122 O\n0.700139 0.859549 0.914879 O\n0.214738 0.555328 0.914879 O\n0.519075 0.709259 0.434882 O\n0.915805 0.225622 0.434882 O\n0.480923 0.290740 0.565118 O\n0.084194 0.774378 0.565118 O\n",
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"formula_full": "Pr2 Nb2 O8",
"formula_reduced": "PrNbO4",
"formula_anonymous": "ABC4",
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"spacegroup": 15
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{
"id": "jvasp-96770",
"created_at": "2022-09-04T14:36:32.920832Z",
"updated_at": "2022-09-04T14:36:32.920854Z",
"structure_string": "Ca4 Si2 Ir4\n1.0\n5.618137 0.047739 0.891781\n2.592117 4.984643 0.891781\n0.042499 0.026049 7.330265\nCa Si Ir\n4 2 4\ndirect\n0.721916 0.986944 0.139132 Ca\n0.013055 0.278085 0.360868 Ca\n0.278085 0.013055 0.860869 Ca\n0.986946 0.721915 0.639132 Ca\n0.570899 0.429102 0.750000 Si\n0.429103 0.570898 0.250000 Si\n0.777004 0.489495 0.989714 Ir\n0.510506 0.222997 0.510286 Ir\n0.222998 0.510505 0.010286 Ir\n0.489496 0.777003 0.489714 Ir\n",
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"elements": [
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],
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"formula_reduced": "Ca2SiIr2",
"formula_anonymous": "AB2C2",
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"spacegroup": 15
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}