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{
"id": "mp-1104810",
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"structure_string": "Sr2 Ga4 S8\n1.0\n3.027900 -5.271315 0.000000\n3.027900 5.271315 0.000000\n0.000000 0.000000 10.679132\nSr Ga S\n2 4 8\ndirect\n0.500000 0.500000 0.750000 Sr\n0.500000 0.500000 0.250000 Sr\n0.762673 0.239309 0.500000 Ga\n0.237327 0.760691 0.500000 Ga\n0.760691 0.237327 0.000000 Ga\n0.239309 0.762673 0.000000 Ga\n0.351842 0.181382 0.500000 S\n0.648158 0.818618 0.500000 S\n0.818618 0.648158 0.000000 S\n0.181382 0.351842 0.000000 S\n0.500000 0.000000 0.836560 S\n0.000000 0.500000 0.663440 S\n0.500000 0.000000 0.163440 S\n0.000000 0.500000 0.336560 S\n",
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},
{
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"structure_string": "Ca2 Zn1 Pb1\n1.0\n0.000000 3.837531 3.837531\n3.837531 0.000000 3.837531\n3.837531 3.837531 0.000000\nCa Zn Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pb\n",
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{
"id": "mp-1214547",
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"structure_string": "Ba4 Mn4 V4 F28\n1.0\n2.661863 7.003945 0.000000\n-2.661863 7.003945 0.000000\n0.000000 0.003953 15.209005\nBa Mn V F\n4 4 4 28\ndirect\n0.351241 0.261203 0.376542 Ba\n0.648760 0.738797 0.623458 Ba\n0.738797 0.648760 0.123458 Ba\n0.261203 0.351241 0.876542 Ba\n0.629221 0.597599 0.372637 Mn\n0.370779 0.402401 0.627363 Mn\n0.402401 0.370779 0.127363 Mn\n0.597599 0.629221 0.872637 Mn\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.056439 0.943561 0.250000 V\n0.943561 0.056439 0.750000 V\n0.617503 0.234697 0.005705 F\n0.382497 0.765303 0.994295 F\n0.765303 0.382497 0.494295 F\n0.234697 0.617503 0.505705 F\n0.316088 0.180353 0.085995 F\n0.683912 0.819647 0.914005 F\n0.819647 0.683912 0.414005 F\n0.180353 0.316088 0.585995 F\n0.444855 0.889784 0.273954 F\n0.555145 0.110216 0.726046 F\n0.110216 0.555145 0.226046 F\n0.889784 0.444855 0.773954 F\n0.364044 0.669024 0.166959 F\n0.635956 0.330976 0.833041 F\n0.330976 0.635956 0.333041 F\n0.669024 0.364044 0.666959 F\n0.710550 0.079055 0.219813 F\n0.289450 0.920945 0.780187 F\n0.920945 0.289450 0.280187 F\n0.079055 0.710550 0.719813 F\n0.298126 0.932931 0.461934 F\n0.701874 0.067069 0.538066 F\n0.067069 0.701874 0.038066 F\n0.932931 0.298126 0.961934 F\n0.139478 0.943561 0.624891 F\n0.860522 0.056439 0.375109 F\n0.056439 0.860522 0.875109 F\n0.943561 0.139478 0.124891 F\n",
"nsites": 40,
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"elements": [
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"formula_full": "Ba4 Mn4 V4 F28",
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{
"id": "mp-1368023",
"created_at": "2022-09-04T14:45:10.965176Z",
"structure_string": "Li4 Cr3 Fe3 Sn2 O16\n1.0\n5.966585 0.000000 0.000000\n2.983318 5.189917 0.000000\n0.065201 0.055426 9.746618\nLi Cr Fe Sn O\n4 3 3 2 16\ndirect\n0.328912 0.668909 0.103845 Li\n0.002453 0.999215 0.006564 Li\n0.000273 0.000024 0.506484 Li\n0.667309 0.336648 0.605331 Li\n0.170060 0.338549 0.785483 Cr\n0.176592 0.833598 0.782310 Cr\n0.344400 0.176438 0.282900 Cr\n0.663640 0.829058 0.787530 Fe\n0.830302 0.169696 0.284926 Fe\n0.836312 0.662964 0.286982 Fe\n0.334803 0.664226 0.508317 Sn\n0.666580 0.329977 0.006896 Sn\n0.161485 0.321562 0.400300 O\n0.035366 0.521059 0.662522 O\n0.319997 0.670953 0.891405 O\n0.010208 0.995018 0.693301 O\n0.014651 0.006179 0.193688 O\n0.168124 0.845861 0.400228 O\n0.486774 0.521994 0.662646 O\n0.473569 0.966831 0.663788 O\n0.321186 0.158037 0.899151 O\n0.679934 0.836918 0.400204 O\n0.512759 0.033820 0.160704 O\n0.502315 0.470009 0.162982 O\n0.648897 0.322921 0.392764 O\n0.837401 0.155320 0.900217 O\n0.962285 0.485768 0.160150 O\n0.843414 0.678145 0.900546 O\n",
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],
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"density": 4.647401776552359,
"density_atomic": 0.0927721970756683,
"volume": 301.8145617179057,
"volume_molar": 6.491320621724769,
"formula_full": "Li4 Cr3 Fe3 Sn2 O16",
"formula_reduced": "Li4Cr3Fe3(SnO8)2",
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"energy": -127.53144489,
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"updated_at": "2021-11-28T01:36:49.587000Z",
"spacegroup": 1
},
{
"id": "mp-1195533",
"created_at": "2022-09-04T14:45:10.966820Z",
"structure_string": "Li2 Al2 C32 Cl24 O8 F48\n1.0\n13.832838 0.000000 0.000000\n0.000000 10.889578 0.000000\n0.000000 0.554964 11.979067\nLi Al C Cl O F\n2 2 32 24 8 48\ndirect\n0.633733 0.454976 0.660544 Li\n0.133733 0.545024 0.339456 Li\n0.463002 0.322130 0.679562 Al\n0.963002 0.677870 0.320438 Al\n0.467289 0.607215 0.677410 C\n0.967289 0.392785 0.322590 C\n0.496342 0.641857 0.802319 C\n0.996342 0.358143 0.197681 C\n0.528766 0.687102 0.586665 C\n0.028766 0.312898 0.413335 C\n0.356992 0.639061 0.653412 C\n0.856992 0.360939 0.346588 C\n0.281820 0.221058 0.786861 C\n0.781820 0.778942 0.213139 C\n0.233137 0.266104 0.900852 C\n0.733137 0.733896 0.099148 C\n0.211746 0.249666 0.683051 C\n0.711746 0.750334 0.316949 C\n0.297394 0.075443 0.795657 C\n0.797394 0.924557 0.204343 C\n0.640569 0.209174 0.798060 C\n0.140569 0.790826 0.201940 C\n0.749655 0.262125 0.810217 C\n0.249655 0.737875 0.189783 C\n0.595033 0.183433 0.918971 C\n0.095033 0.816567 0.081029 C\n0.643448 0.080767 0.739019 C\n0.143448 0.919233 0.260981 C\n0.462311 0.265998 0.434161 C\n0.962311 0.734002 0.565839 C\n0.495423 0.132364 0.393541 C\n0.995423 0.867636 0.606459 C\n0.540286 0.368396 0.398840 C\n0.040286 0.631604 0.601160 C\n0.363117 0.305485 0.373276 C\n0.863117 0.694515 0.626724 C\n0.626397 0.636338 0.812749 Cl\n0.126397 0.363662 0.187251 Cl\n0.455477 0.787977 0.838643 Cl\n0.955477 0.212023 0.161357 Cl\n0.450315 0.529194 0.899014 Cl\n0.950315 0.470806 0.100986 Cl\n0.785951 0.330205 0.676289 Cl\n0.285951 0.669795 0.323711 Cl\n0.754410 0.380624 0.906816 Cl\n0.254410 0.619376 0.093184 Cl\n0.836215 0.149283 0.849461 Cl\n0.336215 0.850717 0.150539 Cl\n0.424287 0.016283 0.461349 Cl\n0.924287 0.983717 0.538651 Cl\n0.484642 0.119720 0.245693 Cl\n0.984642 0.880280 0.754307 Cl\n0.617643 0.105459 0.430841 Cl\n0.117643 0.894541 0.569159 Cl\n0.322330 0.268760 0.008201 Cl\n0.822330 0.731240 0.991799 Cl\n0.187231 0.418254 0.880694 Cl\n0.687231 0.581746 0.119306 Cl\n0.136579 0.169629 0.947717 Cl\n0.636579 0.830371 0.052283 Cl\n0.584258 0.293358 0.737275 O\n0.084258 0.706642 0.262725 O\n0.487792 0.485726 0.661416 O\n0.987792 0.514274 0.338584 O\n0.368160 0.279124 0.769050 O\n0.868160 0.720876 0.230950 O\n0.449787 0.263228 0.546435 O\n0.949787 0.736772 0.453565 O\n0.614960 0.627009 0.567784 F\n0.114960 0.372991 0.432216 F\n0.550985 0.801038 0.616598 F\n0.050985 0.198962 0.383402 F\n0.483337 0.697062 0.487172 F\n0.983337 0.302938 0.512828 F\n0.343494 0.760406 0.625781 F\n0.843494 0.239594 0.374219 F\n0.326059 0.574217 0.566515 F\n0.826059 0.425783 0.433485 F\n0.299271 0.609868 0.741253 F\n0.799271 0.390132 0.258747 F\n0.611786 0.372139 0.478947 F\n0.111786 0.627861 0.521053 F\n0.498849 0.481192 0.394736 F\n0.998849 0.518808 0.605264 F\n0.584736 0.353669 0.300455 F\n0.084736 0.646331 0.699545 F\n0.376367 0.354661 0.267583 F\n0.876367 0.645339 0.732417 F\n0.318648 0.393160 0.431700 F\n0.818648 0.606840 0.568300 F\n0.300264 0.211161 0.366806 F\n0.800264 0.788839 0.633194 F\n0.235741 0.178159 0.597199 F\n0.735741 0.821841 0.402801 F\n0.222603 0.368018 0.644825 F\n0.722603 0.631982 0.355175 F\n0.116734 0.230928 0.705027 F\n0.616734 0.769072 0.294973 F\n0.215759 0.011362 0.775243 F\n0.715759 0.988638 0.224757 F\n0.364261 0.044046 0.719549 F\n0.864261 0.955954 0.280451 F\n0.330675 0.034880 0.897405 F\n0.830675 0.965120 0.102595 F\n0.659251 0.135137 0.994032 F\n0.159251 0.864863 0.005968 F\n0.520135 0.102755 0.913748 F\n0.020135 0.897245 0.086252 F\n0.558888 0.287586 0.959672 F\n0.058888 0.712414 0.040328 F\n0.555318 0.059439 0.694688 F\n0.055318 0.940561 0.305312 F\n0.708873 0.079911 0.655111 F\n0.208873 0.920089 0.344889 F\n0.664672 0.984735 0.810906 F\n0.164672 0.015265 0.189094 F\n",
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"volume": 1804.4520036752388,
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"formula_full": "Li2 Al2 C32 Cl24 O8 F48",
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},
{
"id": "mp-772865",
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"structure_string": "Li3 V6 Fe4 Cu2 O24\n1.0\n6.769971 0.000000 0.000000\n-1.855817 7.985521 0.000000\n-2.461719 -3.515443 9.007613\nLi V Fe Cu O\n3 6 4 2 24\ndirect\n0.395238 0.057476 0.099550 Li\n0.000000 0.000000 0.000000 Li\n0.604762 0.942524 0.900450 Li\n0.221555 0.161514 0.766390 V\n0.408349 0.232060 0.379839 V\n0.878344 0.389353 0.159651 V\n0.121656 0.610647 0.840349 V\n0.591651 0.767940 0.620161 V\n0.778445 0.838486 0.233610 V\n0.955310 0.296051 0.488970 Fe\n0.621674 0.550386 0.893049 Fe\n0.378326 0.449614 0.106951 Fe\n0.044690 0.703949 0.511030 Fe\n0.717089 0.214394 0.702040 Cu\n0.282911 0.785606 0.297960 Cu\n0.812966 0.058467 0.320471 O\n0.231739 0.191785 0.953667 O\n0.005191 0.215195 0.665141 O\n0.309256 0.008064 0.259612 O\n0.476225 0.280197 0.766678 O\n0.661097 0.274865 0.511750 O\n0.805089 0.165039 0.065321 O\n0.879661 0.500674 0.854012 O\n0.231585 0.286793 0.468118 O\n0.918189 0.438454 0.352458 O\n0.328471 0.530496 0.923187 O\n0.436059 0.336685 0.251948 O\n0.563941 0.663315 0.748052 O\n0.671529 0.469504 0.076813 O\n0.081811 0.561546 0.647542 O\n0.768415 0.713207 0.531882 O\n0.120339 0.499326 0.145988 O\n0.194911 0.834961 0.934679 O\n0.338903 0.725135 0.488250 O\n0.523775 0.719803 0.233322 O\n0.690744 0.991936 0.740388 O\n0.994809 0.784805 0.334859 O\n0.768261 0.808215 0.046333 O\n0.187034 0.941533 0.679529 O\n",
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{
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"structure_string": "Cs2 Li14 Pb3 O14\n1.0\n-7.399257 0.000000 0.000000\n0.000000 -8.189307 0.000000\n3.699628 4.094654 6.592702\nCs Li Pb O\n2 14 3 14\ndirect\n0.762924 0.500000 0.000000 Cs\n0.237076 0.500000 0.000000 Cs\n0.227871 0.874679 0.455742 Li\n0.772129 0.125321 0.544258 Li\n0.227871 0.581064 0.455742 Li\n0.772129 0.418936 0.544258 Li\n0.500000 0.157303 0.000000 Li\n0.500000 0.842697 0.000000 Li\n0.862433 0.982541 0.270950 Li\n0.137567 0.017458 0.729050 Li\n0.408518 0.288409 0.270950 Li\n0.137567 0.711591 0.729050 Li\n0.591482 0.711591 0.729050 Li\n0.862433 0.288409 0.270950 Li\n0.591482 0.017458 0.729050 Li\n0.408518 0.982541 0.270950 Li\n0.271002 0.271002 0.542004 Pb\n0.728998 0.728998 0.457996 Pb\n0.000000 0.000000 0.000000 Pb\n0.704116 0.000000 0.000000 O\n0.295884 0.000000 0.000000 O\n0.958432 0.250677 0.501355 O\n0.041568 0.749323 0.498646 O\n0.542923 0.250677 0.501355 O\n0.457077 0.749323 0.498646 O\n0.127585 0.945210 0.255171 O\n0.872415 0.054790 0.744829 O\n0.127585 0.309961 0.255171 O\n0.872415 0.690039 0.744829 O\n0.368745 0.148904 0.737491 O\n0.631255 0.851096 0.262509 O\n0.368745 0.588587 0.737491 O\n0.631255 0.411413 0.262509 O\n",
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{
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