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{
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{
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{
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"updated_at": "2021-11-28T01:39:25.672000Z",
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{
"id": "mp-1229293",
"created_at": "2022-09-04T14:46:35.469104Z",
"structure_string": "Al2 Cu12 H24 S2 Cl2 O38\n1.0\n-4.109112 -7.117190 -0.002618\n-8.243383 0.014526 -0.001309\n-0.002145 -0.003715 -13.620709\nAl Cu H S Cl O\n2 12 24 2 2 38\ndirect\n0.333112 0.333701 0.514901 Al\n0.666813 0.666299 0.014901 Al\n0.757846 0.035218 0.513164 Cu\n0.035216 0.206376 0.513885 Cu\n0.206688 0.758886 0.513723 Cu\n0.793065 0.964782 0.013164 Cu\n0.241592 0.793624 0.013885 Cu\n0.965574 0.241114 0.013723 Cu\n0.628537 0.473801 0.488820 Cu\n0.472990 0.898211 0.487660 Cu\n0.897815 0.628824 0.488559 Cu\n0.102339 0.526199 0.988820 Cu\n0.371201 0.101789 0.987660 Cu\n0.526639 0.371176 0.988559 Cu\n0.576548 0.235161 0.657457 H\n0.235069 0.188489 0.657270 H\n0.189016 0.575326 0.657660 H\n0.811710 0.764839 0.157457 H\n0.423558 0.811511 0.157270 H\n0.764342 0.424674 0.157660 H\n0.826112 0.208284 0.373921 H\n0.207596 0.966246 0.372586 H\n0.966352 0.825219 0.373483 H\n0.034396 0.791716 0.873921 H\n0.173842 0.033754 0.872586 H\n0.791571 0.174781 0.873483 H\n0.117298 0.411626 0.361242 H\n0.410478 0.472700 0.361710 H\n0.470919 0.119166 0.361101 H\n0.528923 0.588374 0.861242 H\n0.883178 0.527300 0.861710 H\n0.590084 0.880834 0.861101 H\n0.831674 0.500390 0.670019 H\n0.495912 0.672680 0.669424 H\n0.673726 0.827109 0.669382 H\n0.332064 0.499610 0.170019 H\n0.168592 0.327320 0.169424 H\n0.500835 0.172891 0.169382 H\n0.000188 0.999023 0.730659 S\n0.999211 0.000977 0.230659 S\n0.664137 0.667219 0.339270 Cl\n0.331356 0.332781 0.839270 Cl\n0.839934 0.459293 0.550483 O\n0.459464 0.702454 0.550544 O\n0.700911 0.839385 0.549832 O\n0.299227 0.540707 0.050483 O\n0.161918 0.297546 0.050544 O\n0.540296 0.160615 0.049832 O\n0.559077 0.240526 0.586415 O\n0.240754 0.199608 0.586071 O\n0.199747 0.559259 0.586412 O\n0.799603 0.759474 0.086415 O\n0.440362 0.800392 0.086071 O\n0.759006 0.440741 0.086412 O\n0.113219 0.420409 0.434020 O\n0.420194 0.465912 0.434438 O\n0.466752 0.114005 0.433926 O\n0.533628 0.579591 0.934020 O\n0.886105 0.534088 0.934438 O\n0.580757 0.885995 0.933926 O\n0.147621 0.040964 0.764929 O\n0.041169 0.811186 0.765803 O\n0.810970 0.146462 0.764661 O\n0.188585 0.959036 0.264929 O\n0.852355 0.188814 0.265803 O\n0.957432 0.853538 0.264661 O\n0.001257 0.997558 0.620571 O\n0.998815 0.002442 0.120571 O\n0.814678 0.219292 0.450609 O\n0.218970 0.966630 0.449258 O\n0.966646 0.814297 0.449925 O\n0.033969 0.780708 0.950609 O\n0.185600 0.033370 0.949258 O\n0.780943 0.185703 0.949925 O\n0.476176 0.180797 0.242733 O\n0.180195 0.343319 0.242603 O\n0.344215 0.476630 0.243468 O\n0.656972 0.819203 0.742733 O\n0.523514 0.656681 0.742603 O\n0.820845 0.523370 0.743468 O\n",
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"density": 3.2875461346739367,
"density_atomic": 0.10000798182003036,
"volume": 799.9361505361064,
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"formula_full": "Al2 Cu12 H24 S2 Cl2 O38",
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{
"id": "mp-1210898",
"created_at": "2022-09-04T14:41:25.052106Z",
"structure_string": "Rb8 Nb4 Cu4 S8\n1.0\n7.367115 0.000000 0.000000\n3.683558 4.876690 0.000000\n3.683558 0.000000 22.267743\nRb Nb Cu S\n8 4 4 8\ndirect\n0.859914 0.123989 0.608905 Rb\n0.531181 0.876011 0.608905 Rb\n0.016097 0.123989 0.391095 Rb\n0.890086 0.376011 0.891095 Rb\n0.592808 0.876011 0.391095 Rb\n0.218819 0.623989 0.891095 Rb\n0.733903 0.376011 0.108906 Rb\n0.157192 0.623989 0.108906 Rb\n0.375000 0.250000 0.250000 Nb\n0.375000 0.750000 0.250000 Nb\n0.375000 0.250000 0.750000 Nb\n0.875000 0.750000 0.750000 Nb\n0.875000 0.250000 0.250000 Cu\n0.875000 0.750000 0.250000 Cu\n0.875000 0.250000 0.750000 Cu\n0.375000 0.750000 0.750000 Cu\n0.159036 0.140007 0.182867 S\n0.658097 0.859993 0.182867 S\n0.700956 0.140007 0.817133 S\n0.590964 0.359993 0.317133 S\n0.481910 0.859993 0.817133 S\n0.091903 0.640007 0.317133 S\n0.049044 0.359993 0.682867 S\n0.268090 0.640007 0.682867 S\n",
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{
"id": "mp-1220868",
"created_at": "2022-09-04T14:48:10.426347Z",
"structure_string": "Na6 Al6 Si6 O24\n1.0\n6.552764 -6.575913 0.000000\n6.552764 6.575913 0.000000\n-0.046381 0.000000 9.283275\nNa Al Si O\n6 6 6 24\ndirect\n0.258814 0.738981 0.254787 Na\n0.738981 0.254787 0.258814 Na\n0.254787 0.258814 0.738981 Na\n0.238981 0.758814 0.754787 Na\n0.754787 0.238981 0.758814 Na\n0.758814 0.754787 0.238981 Na\n0.504584 0.751499 0.995237 Al\n0.995237 0.504584 0.751499 Al\n0.751499 0.995237 0.504584 Al\n0.004584 0.495237 0.251499 Al\n0.251499 0.004584 0.495237 Al\n0.495237 0.251499 0.004584 Al\n0.003299 0.750167 0.497898 Si\n0.497898 0.003299 0.750167 Si\n0.750167 0.497898 0.003299 Si\n0.503299 0.997898 0.250167 Si\n0.250167 0.503299 0.997898 Si\n0.997898 0.250167 0.503299 Si\n0.657880 0.644586 0.991694 O\n0.991694 0.657880 0.644586 O\n0.644586 0.991694 0.657880 O\n0.345872 0.651197 0.014548 O\n0.026494 0.654783 0.350798 O\n0.357546 0.969975 0.344361 O\n0.654783 0.350798 0.026494 O\n0.969975 0.344361 0.357546 O\n0.651197 0.014548 0.345872 O\n0.344361 0.357546 0.969975 O\n0.014548 0.345872 0.651197 O\n0.350798 0.026494 0.654783 O\n0.154783 0.526494 0.850798 O\n0.469975 0.857546 0.844361 O\n0.151197 0.845872 0.514548 O\n0.844361 0.469975 0.857546 O\n0.514548 0.151197 0.845872 O\n0.850798 0.154783 0.526494 O\n0.157880 0.491694 0.144586 O\n0.491694 0.144586 0.157880 O\n0.144586 0.157880 0.491694 O\n0.845872 0.514548 0.151197 O\n0.526494 0.850798 0.154783 O\n0.857546 0.844361 0.469975 O\n",
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{
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"structure_string": "Co2 P6 H32 N8 O22\n1.0\n11.165693 0.000000 0.000000\n0.000000 8.503388 0.000000\n0.000000 1.573607 8.426340\nCo P H N O\n2 6 32 8 22\ndirect\n0.008743 0.796150 0.627429 Co\n0.508743 0.203850 0.372571 Co\n0.995200 0.340058 0.222542 P\n0.495200 0.659942 0.777458 P\n0.951915 0.168504 0.548154 P\n0.451915 0.831496 0.451846 P\n0.160774 0.070930 0.759020 P\n0.660774 0.929070 0.240980 P\n0.034867 0.821364 0.110654 H\n0.534867 0.178636 0.889346 H\n0.914253 0.603507 0.862487 H\n0.414253 0.396493 0.137513 H\n0.796692 0.848985 0.893140 H\n0.296692 0.151015 0.106860 H\n0.038676 0.457132 0.420008 H\n0.538676 0.542868 0.579992 H\n0.158645 0.601711 0.780159 H\n0.658645 0.398289 0.219841 H\n0.044963 0.467599 0.752370 H\n0.544963 0.532401 0.247630 H\n0.860729 0.557554 0.552463 H\n0.360729 0.442446 0.447537 H\n0.838008 0.735707 0.435960 H\n0.338008 0.264293 0.564040 H\n0.777967 0.694064 0.613400 H\n0.277967 0.305936 0.386600 H\n0.991358 0.827191 0.176332 H\n0.491358 0.172809 0.823668 H\n0.134078 0.720448 0.390364 H\n0.634078 0.279552 0.609636 H\n0.139783 0.911399 0.402814 H\n0.639783 0.088601 0.597186 H\n0.268643 0.771090 0.071763 H\n0.768643 0.228910 0.928237 H\n0.195630 0.613566 0.120148 H\n0.695630 0.386434 0.879852 H\n0.829112 0.382082 0.081870 H\n0.329112 0.617918 0.918130 H\n0.088584 0.164125 0.970215 H\n0.588584 0.835875 0.029785 H\n0.993966 0.665025 0.843515 N\n0.493966 0.334975 0.156485 N\n0.069143 0.579508 0.769625 N\n0.569143 0.420492 0.230375 N\n0.854227 0.678540 0.552045 N\n0.354227 0.321460 0.447955 N\n0.092505 0.807711 0.437689 N\n0.592505 0.192289 0.562311 N\n0.066504 0.313906 0.083150 O\n0.566504 0.686094 0.916850 O\n0.866482 0.410758 0.181883 O\n0.366482 0.589242 0.818117 O\n0.063393 0.466580 0.308758 O\n0.563393 0.533420 0.691242 O\n0.982331 0.183376 0.355649 O\n0.482331 0.816624 0.644351 O\n0.907310 0.999405 0.602276 O\n0.407310 0.000595 0.397724 O\n0.879199 0.310126 0.570112 O\n0.379199 0.689874 0.429888 O\n0.084839 0.189646 0.614473 O\n0.584839 0.810354 0.385527 O\n0.081373 0.072882 0.912831 O\n0.581373 0.927118 0.087169 O\n0.280070 0.147651 0.761432 O\n0.780070 0.852349 0.238568 O\n0.150922 0.902685 0.723891 O\n0.650922 0.097315 0.276109 O\n0.271819 0.655949 0.074550 O\n0.771819 0.344051 0.925450 O\n",
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"formula_full": "Co2 P6 H32 N8 O22",
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{
"id": "mp-1232215",
"created_at": "2022-09-04T14:46:23.220973Z",
"structure_string": "Pm8 Mg4 Se16\n1.0\n13.402316 0.000000 0.000000\n0.000000 4.109344 0.000000\n0.000000 0.000000 14.526649\nPm Mg Se\n8 4 16\ndirect\n0.118154 0.250000 0.073479 Pm\n0.881846 0.750000 0.926521 Pm\n0.381846 0.750000 0.573479 Pm\n0.618154 0.250000 0.426521 Pm\n0.137723 0.250000 0.704345 Pm\n0.862277 0.750000 0.295655 Pm\n0.362277 0.750000 0.204345 Pm\n0.637723 0.250000 0.795655 Pm\n0.107740 0.750000 0.460226 Mg\n0.892260 0.250000 0.539774 Mg\n0.392260 0.250000 0.960226 Mg\n0.607740 0.750000 0.039774 Mg\n0.001792 0.750000 0.615692 Se\n0.998208 0.250000 0.384308 Se\n0.498208 0.250000 0.115692 Se\n0.501792 0.750000 0.884308 Se\n0.028078 0.250000 0.882847 Se\n0.971922 0.750000 0.117153 Se\n0.471922 0.750000 0.382847 Se\n0.528078 0.250000 0.617153 Se\n0.224343 0.250000 0.246882 Se\n0.775657 0.750000 0.753118 Se\n0.275657 0.750000 0.746882 Se\n0.724343 0.250000 0.253118 Se\n0.265083 0.750000 0.014386 Se\n0.734917 0.250000 0.985614 Se\n0.234917 0.250000 0.514386 Se\n0.765083 0.750000 0.485614 Se\n",
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