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{
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{
"id": "mp-1208597",
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"structure_string": "Sr2 Yb2 Al6 Si2 N8 O6\n1.0\n3.069932 -5.317279 0.000000\n3.069932 5.317279 0.000000\n0.000000 0.000000 10.174349\nSr Yb Al Si N O\n2 2 6 2 8 6\ndirect\n0.666667 0.333333 0.557382 Sr\n0.333333 0.666667 0.057382 Sr\n0.666667 0.333333 0.925355 Yb\n0.333333 0.666667 0.425355 Yb\n0.165410 0.330820 0.740741 Al\n0.165410 0.834590 0.740741 Al\n0.834590 0.669180 0.240741 Al\n0.669180 0.834590 0.740741 Al\n0.834590 0.165410 0.240741 Al\n0.330820 0.165410 0.240741 Al\n0.000000 0.000000 0.000537 Si\n0.000000 0.000000 0.500537 Si\n0.150983 0.301965 0.559717 N\n0.150983 0.849017 0.559717 N\n0.849017 0.698035 0.059717 N\n0.698035 0.849017 0.559717 N\n0.849017 0.150983 0.059717 N\n0.301965 0.150983 0.059717 N\n0.000000 0.000000 0.821639 N\n0.000000 0.000000 0.321639 N\n0.488770 0.977540 0.791051 O\n0.488770 0.511230 0.791051 O\n0.511230 0.022460 0.291051 O\n0.022460 0.511230 0.791051 O\n0.511230 0.488770 0.291051 O\n0.977540 0.488770 0.291051 O\n",
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},
{
"id": "mp-1236436",
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"structure_string": "K2 Ba1 Li1 Co1 N6 O12\n1.0\n6.823073 0.480047 -3.144920\n-2.210621 6.685867 -3.878353\n0.466199 -0.222165 7.269569\nK Ba Li Co N O\n2 1 1 1 6 12\ndirect\n0.365438 0.829821 0.619769 K\n0.722128 0.256570 0.469820 K\n0.463443 0.493556 0.982361 Ba\n0.949686 0.538107 0.173496 Li\n0.985168 0.997535 0.992518 Co\n0.195845 0.825445 0.016234 N\n0.774501 0.161413 0.964473 N\n0.164436 0.208342 0.395297 N\n0.852753 0.789469 0.602834 N\n0.164706 0.207580 0.005880 N\n0.808054 0.806531 0.014142 N\n0.669038 0.149119 0.773992 O\n0.790856 0.327923 0.156322 O\n0.224782 0.701956 0.834429 O\n0.281595 0.817456 0.196607 O\n0.316735 0.167261 0.970788 O\n0.676943 0.688082 0.493104 O\n0.822508 0.626521 0.955709 O\n0.667104 0.860621 0.070232 O\n0.940981 0.765575 0.474233 O\n0.340014 0.302119 0.481236 O\n0.107765 0.221176 0.545345 O\n0.153021 0.391757 0.086179 O\n",
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"formula_full": "K2 Ba1 Li1 Co1 N6 O12",
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},
{
"id": "mp-1197796",
"created_at": "2022-09-04T14:40:25.916823Z",
"structure_string": "K4 Ca4 Co4 C24 S24 O40\n1.0\n11.521794 0.000000 0.000000\n0.000000 12.602243 0.000000\n0.000000 0.000000 13.334509\nK Ca Co C S O\n4 4 4 24 24 40\ndirect\n0.584130 0.935705 0.220757 K\n0.084130 0.564295 0.779243 K\n0.415870 0.435705 0.279243 K\n0.915870 0.064295 0.720757 K\n0.714894 0.942678 0.954181 Ca\n0.214894 0.557322 0.045819 Ca\n0.285106 0.442678 0.545819 Ca\n0.785106 0.057322 0.454181 Ca\n0.285766 0.926849 0.485231 Co\n0.785766 0.573151 0.514769 Co\n0.714234 0.426849 0.014769 Co\n0.214234 0.073151 0.985231 Co\n0.513794 0.057546 0.437523 C\n0.013794 0.442454 0.562477 C\n0.486206 0.557546 0.062477 C\n0.986206 0.942454 0.937523 C\n0.054297 0.062768 0.493791 C\n0.554297 0.437232 0.506209 C\n0.945703 0.562768 0.006209 C\n0.445703 0.937232 0.993791 C\n0.536368 0.010110 0.541512 C\n0.036368 0.489890 0.458488 C\n0.463632 0.510110 0.958488 C\n0.963632 0.989890 0.041512 C\n0.038861 0.993256 0.400570 C\n0.538861 0.506744 0.599430 C\n0.961139 0.493256 0.099430 C\n0.461139 0.006744 0.900570 C\n0.327465 0.676806 0.469757 C\n0.827465 0.823194 0.530243 C\n0.672535 0.176806 0.030243 C\n0.172535 0.323194 0.969757 C\n0.246334 0.689543 0.559523 C\n0.746334 0.810457 0.440477 C\n0.753666 0.189543 0.940477 C\n0.253666 0.310457 0.059523 C\n0.382297 0.037214 0.381914 S\n0.882297 0.462786 0.618086 S\n0.617703 0.537214 0.118086 S\n0.117703 0.962786 0.881914 S\n0.182758 0.059375 0.556633 S\n0.682758 0.440625 0.443367 S\n0.817242 0.559375 0.943367 S\n0.317242 0.940625 0.056633 S\n0.426550 0.945973 0.601482 S\n0.926550 0.554027 0.398518 S\n0.573450 0.445973 0.898518 S\n0.073450 0.054027 0.101482 S\n0.148104 0.909793 0.366778 S\n0.648104 0.590207 0.633222 S\n0.851896 0.409793 0.133222 S\n0.351896 0.090207 0.866778 S\n0.376926 0.788906 0.412616 S\n0.876926 0.711094 0.587384 S\n0.623074 0.288906 0.087384 S\n0.123074 0.211094 0.912616 S\n0.198350 0.812513 0.589948 S\n0.698350 0.687487 0.410052 S\n0.801650 0.312513 0.910052 S\n0.301650 0.187487 0.089948 S\n0.596085 0.107103 0.396098 O\n0.096085 0.392897 0.603902 O\n0.403915 0.607103 0.103902 O\n0.903915 0.892897 0.896098 O\n0.968371 0.118873 0.520601 O\n0.468371 0.381127 0.479399 O\n0.031629 0.618873 0.979399 O\n0.531629 0.881127 0.020601 O\n0.637179 0.020378 0.576010 O\n0.137179 0.479622 0.423990 O\n0.362821 0.520378 0.923990 O\n0.862821 0.979622 0.076010 O\n0.943883 0.999907 0.355039 O\n0.443883 0.500093 0.644961 O\n0.056117 0.499907 0.144961 O\n0.556117 0.000093 0.855039 O\n0.355199 0.584247 0.443039 O\n0.855199 0.915753 0.556961 O\n0.644801 0.084247 0.056961 O\n0.144801 0.415753 0.943039 O\n0.216652 0.606741 0.607001 O\n0.716652 0.893259 0.392999 O\n0.783348 0.106741 0.892999 O\n0.283348 0.393259 0.107001 O\n0.381345 0.727677 0.824432 O\n0.881345 0.772323 0.175568 O\n0.618655 0.227677 0.675568 O\n0.118655 0.272323 0.324432 O\n0.646817 0.773624 0.825978 O\n0.146817 0.726376 0.174022 O\n0.353183 0.273624 0.674022 O\n0.853183 0.226376 0.325978 O\n0.289329 0.720828 0.870982 O\n0.789329 0.779172 0.129018 O\n0.710671 0.220828 0.629018 O\n0.210671 0.279172 0.370982 O\n0.699189 0.828014 0.763315 O\n0.199189 0.671986 0.236685 O\n0.300811 0.328014 0.736685 O\n0.800811 0.171986 0.263315 O\n",
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"elements": [
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],
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"formula_full": "K4 Ca4 Co4 C24 S24 O40",
"formula_reduced": "KCaCoC6(S3O5)2",
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},
{
"id": "mp-1173102",
"created_at": "2022-09-04T14:40:18.775649Z",
"structure_string": "Ti4 H4 C2 Se8 Cl32 O10\n1.0\n11.949683 0.000000 0.000000\n0.000000 12.503050 0.000000\n0.000000 6.079740 13.561956\nTi H C Se Cl O\n4 4 2 8 32 10\ndirect\n0.115480 0.504949 0.628314 Ti\n0.115480 0.495051 0.871686 Ti\n0.884520 0.504949 0.128314 Ti\n0.884520 0.495051 0.371686 Ti\n0.175797 0.950730 0.086697 H\n0.175797 0.049270 0.413303 H\n0.824203 0.950730 0.586697 H\n0.824203 0.049270 0.913303 H\n0.060735 0.000000 0.750000 C\n0.939265 0.000000 0.250000 C\n0.645385 0.997157 0.619915 Se\n0.645385 0.002843 0.880085 Se\n0.660418 0.832121 0.811667 Se\n0.660418 0.167879 0.688333 Se\n0.339582 0.832121 0.311667 Se\n0.339582 0.167879 0.188333 Se\n0.354615 0.997157 0.119915 Se\n0.354615 0.002843 0.380085 Se\n0.584106 0.315321 0.721415 Cl\n0.584106 0.684679 0.778585 Cl\n0.766969 0.377685 0.115436 Cl\n0.766969 0.622315 0.384564 Cl\n0.608717 0.970570 0.193793 Cl\n0.608717 0.029430 0.306207 Cl\n0.392007 0.128906 0.953340 Cl\n0.392007 0.871094 0.546660 Cl\n0.839833 0.315575 0.471537 Cl\n0.839833 0.684425 0.028463 Cl\n0.762116 0.729312 0.637478 Cl\n0.762116 0.270688 0.862522 Cl\n0.938476 0.540329 0.880040 Cl\n0.938476 0.459671 0.619960 Cl\n0.896586 0.792752 0.547269 Cl\n0.896586 0.207248 0.952731 Cl\n0.103414 0.792752 0.047269 Cl\n0.103414 0.207248 0.452731 Cl\n0.061524 0.540329 0.380040 Cl\n0.061524 0.459671 0.119960 Cl\n0.237884 0.729312 0.137478 Cl\n0.237884 0.270688 0.362522 Cl\n0.160167 0.315575 0.971537 Cl\n0.160167 0.684425 0.528463 Cl\n0.607993 0.128906 0.453340 Cl\n0.607993 0.871094 0.046660 Cl\n0.391283 0.970570 0.693793 Cl\n0.391283 0.029430 0.806207 Cl\n0.233031 0.377685 0.615436 Cl\n0.233031 0.622315 0.884564 Cl\n0.415894 0.315321 0.221415 Cl\n0.415894 0.684679 0.278585 Cl\n0.060719 0.909801 0.742692 O\n0.060719 0.090199 0.757308 O\n0.203957 0.010757 0.108072 O\n0.203957 0.989243 0.391928 O\n0.869364 0.500000 0.250000 O\n0.130636 0.500000 0.750000 O\n0.796043 0.010757 0.608072 O\n0.796043 0.989243 0.891928 O\n0.939281 0.909801 0.242692 O\n0.939281 0.090199 0.257308 O\n",
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},
{
"id": "mp-1199579",
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"elements": [
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"formula_full": "P8 H76 C24 I8 N4 Cl16",
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"updated_at": "2021-11-28T01:35:01.235000Z",
"spacegroup": 14
},
{
"id": "mp-601902",
"created_at": "2022-09-04T14:40:26.540837Z",
"structure_string": "Tl8 H4 Pt4 C20 N20 O4\n1.0\n20.629450 0.000000 0.000000\n0.000000 6.781692 0.000000\n0.000000 4.018612 8.287683\nTl H Pt C N O\n8 4 4 20 20 4\ndirect\n0.281712 0.735393 0.823590 Tl\n0.781712 0.264607 0.676410 Tl\n0.218288 0.735393 0.323590 Tl\n0.417844 0.360190 0.708729 Tl\n0.917844 0.639810 0.791271 Tl\n0.582156 0.639810 0.291271 Tl\n0.082156 0.360190 0.208729 Tl\n0.718288 0.264607 0.176410 Tl\n0.084204 0.586799 0.446556 H\n0.584204 0.413201 0.053444 H\n0.415796 0.586799 0.946556 H\n0.915796 0.413201 0.553444 H\n0.119474 0.228581 0.692319 Pt\n0.380526 0.228581 0.192319 Pt\n0.880526 0.771419 0.307681 Pt\n0.619474 0.771419 0.807681 Pt\n0.085928 0.432238 0.782833 C\n0.212103 0.320678 0.703304 C\n0.126159 0.986628 0.913551 C\n0.414072 0.432238 0.282833 C\n0.287897 0.320678 0.203304 C\n0.373841 0.986628 0.413551 C\n0.026907 0.154255 0.667360 C\n0.973093 0.845745 0.332640 C\n0.526907 0.845745 0.832640 C\n0.585928 0.567762 0.717167 C\n0.348568 0.031510 0.094657 C\n0.712103 0.679322 0.796696 C\n0.626159 0.013372 0.586449 C\n0.651432 0.968490 0.905343 C\n0.151432 0.031510 0.594657 C\n0.473093 0.154255 0.167360 C\n0.787897 0.679322 0.296696 C\n0.914072 0.567762 0.217167 C\n0.873841 0.013372 0.086449 C\n0.848568 0.968490 0.405343 C\n0.472588 0.876380 0.853461 N\n0.527412 0.123620 0.146539 N\n0.867487 0.153115 0.955089 N\n0.765540 0.619808 0.798172 N\n0.367487 0.846885 0.544911 N\n0.171454 0.931633 0.528058 N\n0.671454 0.068367 0.971942 N\n0.132513 0.846885 0.044911 N\n0.972588 0.123620 0.646539 N\n0.437323 0.540065 0.339908 N\n0.265540 0.380192 0.701828 N\n0.632513 0.153115 0.455089 N\n0.734460 0.619808 0.298172 N\n0.234460 0.380192 0.201828 N\n0.937323 0.459935 0.160092 N\n0.562677 0.459935 0.660092 N\n0.027412 0.876380 0.353461 N\n0.328546 0.931633 0.028058 N\n0.062677 0.540065 0.839908 N\n0.828546 0.068367 0.471942 N\n0.384073 0.473702 0.954589 O\n0.884073 0.526298 0.545411 O\n0.115927 0.473702 0.454589 O\n0.615927 0.526298 0.045411 O\n",
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},
{
"id": "mp-706983",
"created_at": "2022-09-04T14:40:22.163622Z",
"structure_string": "K6 H2 Pt2 S4 Cl4 O12\n1.0\n5.327604 -7.652115 0.000000\n5.327604 7.652115 0.000000\n0.000000 0.000000 7.149768\nK H Pt S Cl O\n6 2 2 4 4 12\ndirect\n0.420090 0.859939 0.101002 K\n0.859939 0.420090 0.101002 K\n0.579910 0.140061 0.601002 K\n0.140061 0.579910 0.601002 K\n0.876528 0.876528 0.282582 K\n0.123472 0.123472 0.782582 K\n0.515164 0.515164 0.533465 H\n0.484836 0.484836 0.033465 H\n0.754915 0.754915 0.749467 Pt\n0.245085 0.245085 0.249467 Pt\n0.543055 0.761449 0.598069 S\n0.761449 0.543055 0.598068 S\n0.456945 0.238551 0.098069 S\n0.238551 0.456945 0.098069 S\n0.770958 0.989758 0.904101 Cl\n0.989758 0.770958 0.904101 Cl\n0.229042 0.010242 0.404101 Cl\n0.010242 0.229042 0.404101 Cl\n0.442764 0.820131 0.711522 O\n0.820131 0.442764 0.711522 O\n0.557236 0.179869 0.211521 O\n0.179869 0.557236 0.211521 O\n0.596291 0.858216 0.427578 O\n0.858216 0.596291 0.427578 O\n0.403709 0.141784 0.927578 O\n0.141784 0.403709 0.927578 O\n0.442285 0.599192 0.536122 O\n0.599192 0.442285 0.536122 O\n0.557715 0.400808 0.036122 O\n0.400808 0.557715 0.036122 O\n",
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"density": 3.101538582762971,
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"formula_full": "K6 H2 Pt2 S4 Cl4 O12",
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"updated_at": "2021-11-28T01:34:51.816000Z",
"spacegroup": 36
}
]
}