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{
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"structure_string": "Na2 Sb2 O4 F8\n1.0\n4.704753 2.749895 0.000000\n-4.704753 2.749895 0.000000\n0.000000 0.095690 9.870367\nNa Sb O F\n2 2 4 8\ndirect\n0.004008 0.988553 0.498365 Na\n0.988553 0.004008 0.998365 Na\n0.327759 0.651454 0.250172 Sb\n0.651454 0.327759 0.750172 Sb\n0.613815 0.984231 0.348772 O\n0.984231 0.613815 0.848772 O\n0.994248 0.376508 0.657203 O\n0.376508 0.994248 0.157203 O\n0.032259 0.649564 0.363555 F\n0.324164 0.364667 0.366277 F\n0.649564 0.032259 0.863555 F\n0.364667 0.324164 0.866277 F\n0.372971 0.047324 0.633202 F\n0.653515 0.618716 0.632607 F\n0.047324 0.372971 0.133202 F\n0.618716 0.653515 0.132607 F\n",
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{
"id": "mp-686084",
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"structure_string": "Nb24 I42 Br2\n1.0\n11.713660 0.000000 0.000000\n0.000000 13.861821 0.000000\n0.000000 0.000000 15.521935\nNb I Br\n24 42 2\ndirect\n0.818511 0.620982 0.298816 Nb\n0.818511 0.120982 0.701184 Nb\n0.850806 0.520539 0.142106 Nb\n0.850806 0.020539 0.857894 Nb\n0.879707 0.920351 0.700785 Nb\n0.879707 0.420351 0.299215 Nb\n0.120293 0.920351 0.299215 Nb\n0.120293 0.420351 0.700785 Nb\n0.149194 0.020539 0.142106 Nb\n0.149194 0.520539 0.857894 Nb\n0.181489 0.620982 0.701184 Nb\n0.181489 0.120982 0.298816 Nb\n0.315488 0.877715 0.196426 Nb\n0.315488 0.377715 0.803574 Nb\n0.346092 0.477097 0.647524 Nb\n0.346092 0.977097 0.352476 Nb\n0.375307 0.578673 0.803914 Nb\n0.375307 0.078673 0.196086 Nb\n0.624693 0.578673 0.196086 Nb\n0.624693 0.078673 0.803914 Nb\n0.653908 0.977097 0.647524 Nb\n0.653908 0.477097 0.352476 Nb\n0.684512 0.877715 0.803574 Nb\n0.684512 0.377715 0.196426 Nb\n0.783519 0.721409 0.135778 I\n0.783519 0.221409 0.864222 I\n0.843952 0.521751 0.462823 I\n0.843952 0.021751 0.537177 I\n0.906689 0.318597 0.136314 I\n0.906689 0.818597 0.863686 I\n0.924598 0.802600 0.369043 I\n0.924598 0.302600 0.630957 I\n0.954030 0.063506 0.250866 I\n0.954030 0.563506 0.749134 I\n0.045970 0.563506 0.250866 I\n0.045970 0.063506 0.749134 I\n0.075402 0.802600 0.630957 I\n0.075402 0.302600 0.369043 I\n0.093311 0.818597 0.136314 I\n0.093311 0.318597 0.863686 I\n0.156048 0.521751 0.537177 I\n0.156048 0.021751 0.462823 I\n0.216481 0.221409 0.135778 I\n0.216481 0.721409 0.864222 I\n0.277745 0.276106 0.641553 I\n0.277745 0.776106 0.358447 I\n0.340610 0.976902 0.032587 I\n0.340610 0.476902 0.967413 I\n0.404225 0.678519 0.640214 I\n0.404225 0.178519 0.359786 I\n0.427519 0.697337 0.128687 I\n0.427519 0.197337 0.871313 I\n0.457585 0.436365 0.243917 I\n0.457585 0.936365 0.756083 I\n0.500000 0.927508 0.500000 I\n0.500000 0.427508 0.500000 I\n0.542415 0.436365 0.756083 I\n0.542415 0.936365 0.243917 I\n0.572481 0.697337 0.871313 I\n0.572481 0.197337 0.128687 I\n0.595775 0.178519 0.640214 I\n0.595775 0.678519 0.359786 I\n0.659390 0.976902 0.967413 I\n0.659390 0.476902 0.032587 I\n0.722255 0.776106 0.641553 I\n0.722255 0.276106 0.358447 I\n0.000000 0.557394 0.000000 Br\n0.000000 0.057394 0.000000 Br\n",
"nsites": 68,
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"elements": [
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],
"chemical_system": "Br-I-Nb",
"density": 5.086069107388756,
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"volume": 2520.337845967396,
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"formula_full": "Nb24 I42 Br2",
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"energy": -358.2386871,
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"updated_at": "2021-11-28T01:35:23.180000Z",
"spacegroup": 27
},
{
"id": "mp-28954",
"created_at": "2022-09-04T14:41:02.279769Z",
"structure_string": "Tl4 Pd2 Se4\n1.0\n3.746791 0.000000 0.000000\n0.000000 6.211064 0.000000\n0.000000 0.000000 11.593506\nTl Pd Se\n4 2 4\ndirect\n0.000000 0.610524 0.153208 Tl\n0.000000 0.389476 0.846792 Tl\n0.000000 0.110524 0.346792 Tl\n0.000000 0.889476 0.653208 Tl\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.675773 0.389516 Se\n0.500000 0.324227 0.610484 Se\n0.500000 0.175773 0.110484 Se\n0.500000 0.824227 0.889516 Se\n",
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"formula_full": "Tl4 Pd2 Se4",
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"energy": -39.38121337,
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"updated_at": "2021-11-28T01:35:08.194000Z",
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},
{
"id": "mp-1192433",
"created_at": "2022-09-04T14:41:02.283436Z",
"structure_string": "Na5 Pr4 Ge4 O16 F1\n1.0\n-6.128206 6.128206 2.876674\n6.128206 -6.128206 2.876674\n6.128206 6.128206 -2.876674\nNa Pr Ge O F\n5 4 4 16 1\ndirect\n0.819055 0.627191 0.983398 Na\n0.643792 0.835657 0.016602 Na\n0.164343 0.180945 0.808135 Na\n0.372809 0.356208 0.191865 Na\n0.250000 0.750000 0.500000 Na\n0.956291 0.389335 0.798010 Pr\n0.591324 0.158281 0.201990 Pr\n0.841719 0.043709 0.433044 Pr\n0.610665 0.408676 0.566956 Pr\n0.507597 0.657679 0.644973 Ge\n0.012706 0.862623 0.355027 Ge\n0.137377 0.492403 0.150082 Ge\n0.342321 0.987294 0.849918 Ge\n0.611021 0.613386 0.784421 O\n0.828965 0.826600 0.215579 O\n0.173400 0.388979 0.002365 O\n0.386614 0.171035 0.997635 O\n0.198016 0.474008 0.631098 O\n0.842910 0.566918 0.368902 O\n0.433082 0.801984 0.275992 O\n0.525992 0.157090 0.724008 O\n0.733038 0.986878 0.677046 O\n0.309832 0.055992 0.322954 O\n0.944008 0.266962 0.253839 O\n0.013122 0.690168 0.746161 O\n0.527634 0.584372 0.464755 O\n0.119617 0.062880 0.535245 O\n0.937120 0.472366 0.056738 O\n0.415628 0.880383 0.943262 O\n0.750000 0.250000 0.500000 F\n",
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{
"id": "mp-1203962",
"created_at": "2022-09-04T14:41:02.285496Z",
"structure_string": "Cs4 V8 P12 O56\n1.0\n6.252747 0.000000 0.000000\n0.000000 18.381382 0.000000\n-0.859338 0.000000 10.041394\nCs V P O\n4 8 12 56\ndirect\n0.197684 0.698031 0.993900 Cs\n0.802316 0.198031 0.506100 Cs\n0.802316 0.301969 0.006100 Cs\n0.197684 0.801969 0.493900 Cs\n0.700905 0.872889 0.159788 V\n0.299095 0.372889 0.340212 V\n0.299095 0.127111 0.840212 V\n0.700905 0.627111 0.659788 V\n0.237557 0.064606 0.332401 V\n0.762443 0.564606 0.167599 V\n0.762443 0.935394 0.667599 V\n0.237557 0.435394 0.832401 V\n0.659262 0.804208 0.862922 P\n0.340738 0.304208 0.637078 P\n0.340738 0.195792 0.137078 P\n0.659262 0.695792 0.362922 P\n0.744352 0.007092 0.371574 P\n0.255648 0.507092 0.128426 P\n0.255648 0.992908 0.628426 P\n0.744352 0.492908 0.871574 P\n0.203871 0.899837 0.129067 P\n0.796129 0.399837 0.370933 P\n0.796129 0.100163 0.870933 P\n0.203871 0.600163 0.629067 P\n0.421470 0.801390 0.807155 O\n0.578530 0.301390 0.692845 O\n0.578530 0.198610 0.192845 O\n0.421470 0.698610 0.307155 O\n0.750241 0.735210 0.803681 O\n0.249759 0.235210 0.696319 O\n0.249759 0.264790 0.196319 O\n0.750241 0.764790 0.303681 O\n0.772608 0.875514 0.825502 O\n0.227392 0.375514 0.674498 O\n0.227392 0.124486 0.174498 O\n0.772608 0.624486 0.325502 O\n0.678185 0.800054 0.018763 O\n0.321815 0.300054 0.481237 O\n0.321815 0.199946 0.981237 O\n0.678185 0.699946 0.518763 O\n0.678750 0.941999 0.064978 O\n0.321250 0.441999 0.435022 O\n0.321250 0.058001 0.935022 O\n0.678750 0.558001 0.564978 O\n0.764352 0.927168 0.325050 O\n0.235648 0.427168 0.174950 O\n0.235648 0.072832 0.674950 O\n0.764352 0.572832 0.825050 O\n0.928707 0.055818 0.327604 O\n0.071293 0.555818 0.172396 O\n0.071293 0.944182 0.672396 O\n0.928707 0.444182 0.827604 O\n0.751912 0.009818 0.525926 O\n0.248088 0.509818 0.974074 O\n0.248088 0.990182 0.474074 O\n0.751912 0.490182 0.025926 O\n0.533750 0.042117 0.312100 O\n0.466250 0.542117 0.187900 O\n0.466250 0.957883 0.687900 O\n0.533750 0.457883 0.812100 O\n0.271553 0.132922 0.432711 O\n0.728447 0.632922 0.067289 O\n0.728447 0.867078 0.567289 O\n0.271553 0.367078 0.932711 O\n0.188345 0.976470 0.181720 O\n0.811655 0.476470 0.318280 O\n0.811655 0.023530 0.818280 O\n0.188345 0.523530 0.681720 O\n0.014517 0.852084 0.171637 O\n0.985483 0.352084 0.328363 O\n0.985483 0.147916 0.828363 O\n0.014517 0.647916 0.671637 O\n0.195427 0.896343 0.976322 O\n0.804573 0.396343 0.523678 O\n0.804573 0.103657 0.023678 O\n0.195427 0.603657 0.476322 O\n0.410606 0.859414 0.193849 O\n0.589394 0.359414 0.306151 O\n0.589394 0.140586 0.806151 O\n0.410606 0.640586 0.693849 O\n",
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{
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"structure_string": "V4 Bi8 O22\n1.0\n5.648279 0.000000 0.000000\n0.000000 5.945245 0.000000\n0.000000 0.675673 15.516796\nV Bi O\n4 8 22\ndirect\n0.236954 0.567361 0.491482 V\n0.200680 0.980453 0.002851 V\n0.799320 0.980453 0.502851 V\n0.763046 0.567361 0.991482 V\n0.731235 0.483276 0.642050 Bi\n0.301404 0.534326 0.814605 Bi\n0.712409 0.038370 0.166771 Bi\n0.153886 0.088610 0.328582 Bi\n0.287591 0.038370 0.666771 Bi\n0.846114 0.088610 0.828582 Bi\n0.268765 0.483276 0.142050 Bi\n0.698596 0.534326 0.314605 Bi\n0.526713 0.262534 0.743657 O\n0.037051 0.318353 0.739929 O\n0.597243 0.407343 0.068692 O\n0.510137 0.732362 0.214953 O\n0.949179 0.847102 0.259708 O\n0.699060 0.511385 0.885120 O\n0.580203 0.782685 0.497159 O\n0.094903 0.857527 0.508096 O\n0.489863 0.732362 0.714953 O\n0.050821 0.847102 0.759708 O\n0.240418 0.102528 0.101893 O\n0.419797 0.782685 0.997159 O\n0.797190 0.134767 0.404327 O\n0.759582 0.102528 0.601893 O\n0.022997 0.437217 0.007525 O\n0.473287 0.262534 0.243657 O\n0.962949 0.318353 0.239929 O\n0.202810 0.134767 0.904327 O\n0.402757 0.407343 0.568692 O\n0.977003 0.437217 0.507525 O\n0.300940 0.511385 0.385120 O\n0.905097 0.857527 0.008096 O\n",
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{
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"structure_string": "B4 H8 C4 O4\n1.0\n2.255588 5.589212 0.000000\n-2.255588 5.589212 0.000000\n0.000000 2.659057 11.496225\nB H C O\n4 8 4 4\ndirect\n0.339670 0.515705 0.999863 B\n0.484295 0.660330 0.500137 B\n0.660330 0.484295 0.000137 B\n0.515705 0.339670 0.499863 B\n0.869546 0.258722 0.061783 H\n0.741278 0.130454 0.438217 H\n0.130454 0.741278 0.938217 H\n0.258722 0.869546 0.561783 H\n0.264440 0.430496 0.488108 H\n0.569504 0.735560 0.011892 H\n0.735560 0.569504 0.511892 H\n0.430496 0.264440 0.988108 H\n0.189850 0.587121 0.121680 C\n0.412879 0.810150 0.378320 C\n0.810150 0.412879 0.878320 C\n0.587121 0.189850 0.621680 C\n0.083397 0.637802 0.217121 O\n0.362198 0.916603 0.282879 O\n0.916603 0.362198 0.782879 O\n0.637802 0.083397 0.717121 O\n",
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{
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