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{
"id": "mp-556455",
"created_at": "2022-09-04T14:43:18.829154Z",
"structure_string": "Y8 Mo12 O48\n1.0\n10.525535 0.000000 0.000000\n0.000000 10.541878 0.000000\n0.000000 0.000000 10.734998\nY Mo O\n8 12 48\ndirect\n0.687952 0.000931 0.740927 Y\n0.312048 0.999069 0.740927 Y\n0.812048 0.500931 0.740927 Y\n0.497216 0.312002 0.266447 Y\n0.002784 0.812002 0.266447 Y\n0.187952 0.499069 0.740927 Y\n0.997216 0.187998 0.266447 Y\n0.502784 0.687998 0.266447 Y\n0.752591 0.752072 0.003440 Mo\n0.998076 0.793176 0.646899 Mo\n0.501924 0.293176 0.646899 Mo\n0.747409 0.252072 0.003440 Mo\n0.293781 0.992351 0.359806 Mo\n0.793781 0.507649 0.359806 Mo\n0.498076 0.706824 0.646899 Mo\n0.706219 0.007649 0.359806 Mo\n0.252591 0.747928 0.003440 Mo\n0.206219 0.492351 0.359806 Mo\n0.247409 0.247928 0.003440 Mo\n0.001924 0.206824 0.646899 Mo\n0.875121 0.120921 0.717811 O\n0.484254 0.303861 0.481922 O\n0.694368 0.003206 0.525347 O\n0.015746 0.803861 0.481922 O\n0.849999 0.658793 0.309430 O\n0.127216 0.178002 0.099098 O\n0.372784 0.678002 0.099098 O\n0.872784 0.821998 0.099098 O\n0.881642 0.379476 0.293788 O\n0.996022 0.373444 0.695935 O\n0.496022 0.126556 0.695935 O\n0.805632 0.503206 0.525347 O\n0.618358 0.879476 0.293788 O\n0.863523 0.179670 0.102785 O\n0.627216 0.321998 0.099098 O\n0.349999 0.841207 0.309430 O\n0.176644 0.364494 0.904015 O\n0.363523 0.320330 0.102785 O\n0.118358 0.620524 0.293788 O\n0.375121 0.379079 0.717811 O\n0.846157 0.852426 0.691673 O\n0.126781 0.004446 0.311985 O\n0.680958 0.871505 0.907693 O\n0.150001 0.341207 0.309430 O\n0.003978 0.626556 0.695935 O\n0.381642 0.120524 0.293788 O\n0.515746 0.696139 0.481922 O\n0.124879 0.879079 0.717811 O\n0.136477 0.820330 0.102785 O\n0.650001 0.158793 0.309430 O\n0.305632 0.996794 0.525347 O\n0.373219 0.504446 0.311985 O\n0.194368 0.496794 0.525347 O\n0.819042 0.371505 0.907693 O\n0.636477 0.679670 0.102785 O\n0.626781 0.495554 0.311985 O\n0.624879 0.620921 0.717811 O\n0.346157 0.647574 0.691673 O\n0.984254 0.196139 0.481922 O\n0.676644 0.135506 0.904015 O\n0.873219 0.995554 0.311985 O\n0.653843 0.352426 0.691673 O\n0.503978 0.873444 0.695935 O\n0.323356 0.864494 0.904015 O\n0.180958 0.628495 0.907693 O\n0.319042 0.128495 0.907693 O\n0.823356 0.635506 0.904015 O\n0.153843 0.147574 0.691673 O\n",
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"formula_full": "Y8 Mo12 O48",
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"updated_at": "2021-11-28T01:36:08.591000Z",
"spacegroup": 32
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{
"id": "mp-1199666",
"created_at": "2022-09-04T14:42:43.511679Z",
"structure_string": "Ti32 Si32 Ni8\n1.0\n5.098789 0.000000 0.000000\n0.000000 12.747712 0.000000\n0.000000 0.000000 15.672592\nTi Si Ni\n32 32 8\ndirect\n0.250000 0.969483 0.446327 Ti\n0.250000 0.530517 0.946327 Ti\n0.750000 0.030517 0.553673 Ti\n0.750000 0.469483 0.053673 Ti\n0.750000 0.849500 0.036952 Ti\n0.750000 0.650500 0.536952 Ti\n0.250000 0.150500 0.963048 Ti\n0.250000 0.349500 0.463048 Ti\n0.750000 0.820755 0.709770 Ti\n0.750000 0.679245 0.209770 Ti\n0.250000 0.179245 0.290230 Ti\n0.250000 0.320755 0.790230 Ti\n0.750000 0.181697 0.851538 Ti\n0.750000 0.318303 0.351538 Ti\n0.250000 0.818303 0.148462 Ti\n0.250000 0.681697 0.648462 Ti\n0.750000 0.236201 0.053804 Ti\n0.750000 0.263799 0.553804 Ti\n0.250000 0.763799 0.946196 Ti\n0.250000 0.736201 0.446196 Ti\n0.250000 0.956662 0.678249 Ti\n0.250000 0.543338 0.178249 Ti\n0.750000 0.043338 0.321751 Ti\n0.750000 0.456662 0.821751 Ti\n0.497200 0.542494 0.365986 Ti\n0.002800 0.957506 0.865986 Ti\n0.997200 0.457506 0.634014 Ti\n0.502800 0.042494 0.134014 Ti\n0.502800 0.457506 0.634014 Ti\n0.997200 0.042494 0.134014 Ti\n0.002800 0.542494 0.365986 Ti\n0.497200 0.957506 0.865986 Ti\n0.750000 0.889113 0.432182 Si\n0.750000 0.610887 0.932182 Si\n0.250000 0.110887 0.567818 Si\n0.250000 0.389113 0.067818 Si\n0.250000 0.518200 0.770126 Si\n0.250000 0.981800 0.270126 Si\n0.750000 0.481800 0.229874 Si\n0.750000 0.018200 0.729874 Si\n0.250000 0.289412 0.620791 Si\n0.250000 0.210588 0.120791 Si\n0.750000 0.710588 0.379209 Si\n0.750000 0.789412 0.879209 Si\n0.250000 0.384459 0.302722 Si\n0.250000 0.115541 0.802722 Si\n0.750000 0.615541 0.697278 Si\n0.750000 0.884459 0.197278 Si\n0.750000 0.055377 0.986165 Si\n0.750000 0.444623 0.486165 Si\n0.250000 0.944623 0.013835 Si\n0.250000 0.555377 0.513835 Si\n0.250000 0.692396 0.283092 Si\n0.250000 0.807604 0.783092 Si\n0.750000 0.307604 0.716908 Si\n0.750000 0.192396 0.216908 Si\n0.495423 0.660242 0.064346 Si\n0.004577 0.839758 0.564346 Si\n0.995423 0.339758 0.935654 Si\n0.504577 0.160242 0.435654 Si\n0.504577 0.339758 0.935654 Si\n0.995423 0.160242 0.435654 Si\n0.004577 0.660242 0.064346 Si\n0.495423 0.839758 0.564346 Si\n0.996908 0.341557 0.185111 Ni\n0.503092 0.158443 0.685111 Ni\n0.496908 0.658443 0.814889 Ni\n0.003092 0.841557 0.314889 Ni\n0.003092 0.658443 0.814889 Ni\n0.496908 0.841557 0.314889 Ni\n0.503092 0.341557 0.185111 Ni\n0.996908 0.158443 0.685111 Ni\n",
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"chemical_system": "Ni-Si-Ti",
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"formula_full": "Ti32 Si32 Ni8",
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"updated_at": "2021-11-28T01:35:56.166000Z",
"spacegroup": 62
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{
"id": "mp-616160",
"created_at": "2022-09-04T14:43:02.076561Z",
"structure_string": "Mn4 C24 S8 N4 O20 F24\n1.0\n10.313176 0.000000 0.000000\n0.000000 10.492743 0.000000\n0.000000 0.000000 12.135866\nMn C S N O F\n4 24 8 4 20 24\ndirect\n0.750000 0.941684 0.147059 Mn\n0.250000 0.058316 0.852941 Mn\n0.750000 0.558316 0.647059 Mn\n0.250000 0.441684 0.352941 Mn\n0.881148 0.054578 0.195230 C\n0.381148 0.945422 0.804771 C\n0.377997 0.164381 0.911794 C\n0.750000 0.646499 0.777487 C\n0.250000 0.146499 0.722513 C\n0.250000 0.353501 0.222513 C\n0.750000 0.853501 0.277487 C\n0.122003 0.335619 0.411794 C\n0.118852 0.945422 0.804771 C\n0.122003 0.164381 0.911794 C\n0.750000 0.203550 0.987203 C\n0.881148 0.445422 0.695229 C\n0.618852 0.445422 0.695229 C\n0.622003 0.835619 0.088206 C\n0.877997 0.835619 0.088206 C\n0.618852 0.054578 0.195230 C\n0.250000 0.703550 0.512797 C\n0.750000 0.296450 0.487203 C\n0.377997 0.335619 0.411794 C\n0.622003 0.664381 0.588206 C\n0.118852 0.554578 0.304770 C\n0.877997 0.664381 0.588206 C\n0.381148 0.554578 0.304770 C\n0.250000 0.796450 0.012797 C\n0.250000 0.580431 0.901351 S\n0.250000 0.919569 0.401351 S\n0.250000 0.541997 0.531867 S\n0.750000 0.041997 0.968133 S\n0.250000 0.958003 0.031867 S\n0.750000 0.419569 0.098649 S\n0.750000 0.458003 0.468133 S\n0.750000 0.080431 0.598649 S\n0.750000 0.261123 0.080831 N\n0.750000 0.238877 0.580831 N\n0.250000 0.761123 0.419169 N\n0.250000 0.738877 0.919169 N\n0.750000 0.703475 0.859136 O\n0.543262 0.729357 0.550951 O\n0.250000 0.296525 0.140864 O\n0.964217 0.119687 0.224473 O\n0.043262 0.270643 0.449049 O\n0.456738 0.229357 0.949049 O\n0.956738 0.770643 0.050951 O\n0.543262 0.770643 0.050951 O\n0.750000 0.796525 0.359136 O\n0.535783 0.380313 0.724473 O\n0.964217 0.380313 0.724473 O\n0.250000 0.203475 0.640864 O\n0.043262 0.229357 0.949049 O\n0.464217 0.619687 0.275527 O\n0.035783 0.880313 0.775527 O\n0.464217 0.880313 0.775527 O\n0.456738 0.270643 0.449049 O\n0.535783 0.119687 0.224473 O\n0.956738 0.729357 0.550951 O\n0.035783 0.619687 0.275527 O\n0.361964 0.550805 0.992635 F\n0.360773 0.594704 0.807601 F\n0.250000 0.427380 0.874536 F\n0.638036 0.449195 0.007365 F\n0.861964 0.449195 0.007365 F\n0.139227 0.905296 0.307601 F\n0.250000 0.733438 0.111417 F\n0.138036 0.550805 0.992635 F\n0.250000 0.072620 0.374536 F\n0.138036 0.949195 0.492635 F\n0.750000 0.927380 0.625464 F\n0.860773 0.405296 0.192399 F\n0.639227 0.094704 0.692399 F\n0.360773 0.905296 0.307601 F\n0.750000 0.233439 0.388583 F\n0.860773 0.094704 0.692399 F\n0.750000 0.572620 0.125464 F\n0.638036 0.050805 0.507365 F\n0.639227 0.405296 0.192399 F\n0.361964 0.949195 0.492635 F\n0.861964 0.050805 0.507365 F\n0.139227 0.594704 0.807601 F\n0.750000 0.266562 0.888583 F\n0.250000 0.766562 0.611417 F\n",
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{
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"structure_string": "Na2 V9 Mo1 H35 N4 O38\n1.0\n9.098219 0.000000 0.000000\n-4.539610 9.670952 0.000000\n-0.510290 -3.962144 10.524504\nNa V Mo H N O\n2 9 1 35 4 38\ndirect\n0.900274 0.335392 0.375286 Na\n0.097008 0.664743 0.624020 Na\n0.661071 0.784250 0.998751 V\n0.479753 0.505493 0.246663 V\n0.193469 0.220898 0.732282 V\n0.465287 0.786267 0.222815 V\n0.319879 0.501345 0.979567 V\n0.678028 0.498861 0.019267 V\n0.539242 0.218442 0.774808 V\n0.811530 0.786637 0.260103 V\n0.527925 0.502445 0.756288 V\n0.329779 0.210300 0.000613 Mo\n0.604738 0.748324 0.610421 H\n0.678558 0.850083 0.515814 H\n0.631666 0.926154 0.653281 H\n0.480466 0.795210 0.533162 H\n0.140385 0.242485 0.263724 H\n0.255556 0.493287 0.451479 H\n0.221869 0.437979 0.564867 H\n0.976954 0.095997 0.203242 H\n0.388789 0.764641 0.834402 H\n0.396971 0.918096 0.842664 H\n0.249042 0.808483 0.433509 H\n0.109721 0.513306 0.228924 H\n0.834621 0.099712 0.951982 H\n0.853063 0.223437 0.088294 H\n0.033051 0.452903 0.782379 H\n0.154261 0.731486 0.040927 H\n0.287609 0.925711 0.568420 H\n0.721359 0.080046 0.429355 H\n0.853318 0.261995 0.957951 H\n0.963460 0.551378 0.224994 H\n0.153427 0.774481 0.909224 H\n0.161055 0.895926 0.048425 H\n0.871172 0.465605 0.755212 H\n0.739316 0.176507 0.568727 H\n0.604586 0.078735 0.162186 H\n0.985239 0.736664 0.977418 H\n0.617089 0.232524 0.168604 H\n0.026843 0.921851 0.788293 H\n0.782881 0.564479 0.434142 H\n0.739306 0.507593 0.545803 H\n0.866219 0.771808 0.751230 H\n0.520007 0.209874 0.469058 H\n0.381224 0.080274 0.342222 H\n0.316931 0.145501 0.474032 H\n0.398989 0.255083 0.386949 H\n0.600182 0.828880 0.578394 N\n0.893374 0.210147 0.004378 N\n0.112768 0.784552 0.994778 N\n0.402866 0.173515 0.418139 N\n0.840286 0.863485 0.127886 O\n0.603665 0.608154 0.669998 O\n0.552780 0.615599 0.101437 O\n0.719559 0.877349 0.903346 O\n0.676530 0.874877 0.320790 O\n0.315815 0.370473 0.667873 O\n0.285550 0.381569 0.086226 O\n0.442139 0.618772 0.882178 O\n0.545135 0.864960 0.097469 O\n0.396257 0.635262 0.294762 O\n0.026897 0.190673 0.274177 O\n0.018939 0.119895 0.632181 O\n0.268022 0.629158 0.076598 O\n0.185858 0.485539 0.515079 O\n0.152767 0.375455 0.854837 O\n0.376697 0.886381 0.293212 O\n0.327023 0.810481 0.806585 O\n0.273767 0.825604 0.524147 O\n0.019681 0.514962 0.272235 O\n0.988968 0.509846 0.752081 O\n0.731904 0.176670 0.481777 O\n0.644144 0.181628 0.218651 O\n0.624451 0.115461 0.703579 O\n0.850058 0.623857 0.139495 O\n0.816451 0.519083 0.487685 O\n0.726128 0.369759 0.919899 O\n0.987496 0.884755 0.358488 O\n0.984260 0.814272 0.749835 O\n0.608677 0.367718 0.703906 O\n0.451843 0.130669 0.900335 O\n0.556087 0.375453 0.116177 O\n0.714112 0.616686 0.913258 O\n0.691146 0.632814 0.328267 O\n0.326574 0.127717 0.678280 O\n0.260064 0.099910 0.092471 O\n0.441983 0.376642 0.895591 O\n0.401907 0.396636 0.330828 O\n0.155303 0.131689 0.864114 O\n",
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{
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{
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{
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}