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{
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{
"id": "mp-25455",
"created_at": "2022-09-04T14:41:24.994580Z",
"structure_string": "Li8 Cr4 P4 C4 O28\n1.0\n-5.020285 6.389122 -0.137933\n-5.020277 -6.389116 -0.137936\n-4.716277 0.000005 8.333923\nLi Cr P C O\n8 4 4 4 28\ndirect\n0.726264 0.724808 0.774147 Li\n0.226265 0.224808 0.774147 Li\n0.773735 0.775191 0.225854 Li\n0.273734 0.275191 0.225854 Li\n0.525192 0.023735 0.225853 Li\n0.025191 0.523734 0.225854 Li\n0.974807 0.476263 0.774148 Li\n0.474809 0.976265 0.774146 Li\n0.307850 0.557849 0.343610 Cr\n0.192150 0.942150 0.656391 Cr\n0.807854 0.057856 0.343624 Cr\n0.692143 0.442142 0.656377 Cr\n0.054123 0.804123 0.419300 P\n0.554123 0.304124 0.419300 P\n0.445877 0.695878 0.580700 P\n0.945877 0.195877 0.580700 P\n0.482237 0.732237 0.058515 C\n0.982237 0.232237 0.058515 C\n0.017764 0.767764 0.941485 C\n0.517764 0.267764 0.941485 C\n0.334312 0.584312 0.119588 O\n0.834313 0.084315 0.119584 O\n0.165688 0.915689 0.880412 O\n0.665688 0.415686 0.880416 O\n0.971992 0.721992 0.832127 O\n0.471991 0.221991 0.832129 O\n0.528008 0.778008 0.167872 O\n0.028009 0.278009 0.167871 O\n0.584926 0.834926 0.412847 O\n0.084928 0.334929 0.412846 O\n0.915074 0.665074 0.587153 O\n0.415072 0.165072 0.587154 O\n0.198165 0.948163 0.441828 O\n0.698164 0.448163 0.441827 O\n0.301835 0.551838 0.558172 O\n0.801836 0.051838 0.558173 O\n0.070782 0.320782 0.912354 O\n0.570783 0.820783 0.912353 O\n0.429219 0.179219 0.087646 O\n0.929218 0.679218 0.087647 O\n0.545473 0.603540 0.676236 O\n0.045474 0.103540 0.676235 O\n0.353539 0.795474 0.676235 O\n0.853539 0.295472 0.676237 O\n0.146462 0.704526 0.323765 O\n0.646462 0.204528 0.323763 O\n0.954527 0.896462 0.323764 O\n0.454526 0.396461 0.323765 O\n",
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"spacegroup": 11
},
{
"id": "mp-553907",
"created_at": "2022-09-04T14:41:25.407263Z",
"structure_string": "Rb48 Ag16 O32\n1.0\n12.996473 0.000000 0.000000\n0.000000 13.034247 0.000000\n0.000000 0.000000 14.750435\nRb Ag O\n48 16 32\ndirect\n0.793341 0.511667 0.489605 Rb\n0.203367 0.301620 0.144358 Rb\n0.716783 0.021207 0.508841 Rb\n0.514938 0.799546 0.505964 Rb\n0.255000 0.043648 0.763160 Rb\n0.562223 0.577369 0.369077 Rb\n0.485062 0.299546 0.994036 Rb\n0.021871 0.783385 0.004630 Rb\n0.510621 0.996060 0.924904 Rb\n0.264094 0.543971 0.254192 Rb\n0.783217 0.978793 0.008841 Rb\n0.698499 0.299567 0.639449 Rb\n0.764094 0.956029 0.745808 Rb\n0.735906 0.043971 0.245808 Rb\n0.995814 0.711042 0.774674 Rb\n0.489379 0.496060 0.575096 Rb\n0.293341 0.988333 0.510395 Rb\n0.245000 0.956352 0.263160 Rb\n0.504186 0.288958 0.274674 Rb\n0.004186 0.211042 0.725326 Rb\n0.937777 0.422631 0.869077 Rb\n0.235906 0.456029 0.754192 Rb\n0.014938 0.700454 0.494036 Rb\n0.052732 0.748631 0.255301 Rb\n0.198499 0.200433 0.360551 Rb\n0.706659 0.488333 0.989605 Rb\n0.283217 0.521207 0.991159 Rb\n0.206659 0.011667 0.010395 Rb\n0.216783 0.478793 0.491159 Rb\n0.447268 0.251369 0.755301 Rb\n0.745000 0.543648 0.736840 Rb\n0.296633 0.698380 0.644358 Rb\n0.796633 0.801620 0.355642 Rb\n0.495814 0.788958 0.225326 Rb\n0.801501 0.700433 0.139449 Rb\n0.478129 0.216615 0.504630 Rb\n0.755000 0.456352 0.236840 Rb\n0.947268 0.248631 0.244699 Rb\n0.062223 0.922631 0.630923 Rb\n0.521871 0.716615 0.995370 Rb\n0.437777 0.077369 0.130923 Rb\n0.552732 0.751369 0.744699 Rb\n0.989379 0.003940 0.424904 Rb\n0.978129 0.283385 0.495370 Rb\n0.703367 0.198380 0.855642 Rb\n0.010621 0.503940 0.075096 Rb\n0.301501 0.799567 0.860551 Rb\n0.985062 0.200454 0.005964 Rb\n0.271822 0.766409 0.092192 Ag\n0.728178 0.266409 0.407808 Ag\n0.499188 0.502986 0.824207 Ag\n0.999321 0.989800 0.850157 Ag\n0.266698 0.743133 0.420534 Ag\n0.000679 0.489800 0.649843 Ag\n0.766698 0.756867 0.579466 Ag\n0.500679 0.010200 0.350157 Ag\n0.999188 0.997014 0.175793 Ag\n0.500812 0.002986 0.675793 Ag\n0.733302 0.243133 0.079466 Ag\n0.499321 0.510200 0.149843 Ag\n0.233302 0.256867 0.920534 Ag\n0.228178 0.233591 0.592192 Ag\n0.000812 0.497014 0.324207 Ag\n0.771822 0.733591 0.907808 Ag\n0.119495 0.120299 0.568817 O\n0.660818 0.843966 0.893515 O\n0.839182 0.156034 0.393515 O\n0.614058 0.901861 0.356479 O\n0.111175 0.109238 0.177522 O\n0.619495 0.379701 0.431183 O\n0.160818 0.656034 0.106485 O\n0.885942 0.098139 0.856479 O\n0.380505 0.879701 0.068817 O\n0.385696 0.116675 0.337785 O\n0.388825 0.890762 0.677522 O\n0.385942 0.401861 0.143521 O\n0.876708 0.868050 0.557587 O\n0.153263 0.853935 0.414686 O\n0.346737 0.146065 0.914686 O\n0.653263 0.646065 0.585314 O\n0.388886 0.615450 0.822929 O\n0.376708 0.631950 0.442413 O\n0.846737 0.353935 0.085314 O\n0.114304 0.883325 0.837785 O\n0.614304 0.616675 0.162215 O\n0.888886 0.884550 0.177071 O\n0.339182 0.343966 0.606485 O\n0.114058 0.598139 0.643521 O\n0.880505 0.620299 0.931183 O\n0.111114 0.384550 0.322929 O\n0.123292 0.368050 0.942413 O\n0.611114 0.115450 0.677071 O\n0.885696 0.383325 0.662215 O\n0.611175 0.390762 0.822478 O\n0.623292 0.131950 0.057587 O\n0.888825 0.609238 0.322478 O\n",
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"elements": [
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"volume_molar": 15.67458145334831,
"formula_full": "Rb48 Ag16 O32",
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"spacegroup": 19
},
{
"id": "mp-1029510",
"created_at": "2022-09-04T14:41:24.775068Z",
"structure_string": "Sr6 B4 N8\n1.0\n3.714360 4.838002 0.000000\n-3.714360 4.838002 0.000000\n0.000000 0.196245 7.678914\nSr B N\n6 4 8\ndirect\n0.016046 0.235272 0.906472 Sr\n0.764728 0.983954 0.593528 Sr\n0.983954 0.764728 0.093528 Sr\n0.235272 0.016046 0.406472 Sr\n0.572113 0.427887 0.250000 Sr\n0.427887 0.572113 0.750000 Sr\n0.000276 0.456838 0.379275 B\n0.543162 0.999724 0.120725 B\n0.999724 0.543162 0.620725 B\n0.456838 0.000276 0.879275 B\n0.867053 0.393575 0.538480 N\n0.606425 0.132947 0.961520 N\n0.132947 0.606425 0.461520 N\n0.393575 0.867053 0.038480 N\n0.003249 0.377863 0.206832 N\n0.622137 0.996751 0.293168 N\n0.996751 0.622137 0.793168 N\n0.377863 0.003249 0.706832 N\n",
"nsites": 18,
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"elements": [
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],
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},
{
"id": "mp-1340229",
"created_at": "2022-09-04T14:41:19.401888Z",
"structure_string": "Ca4 Cr4 P8 O28\n1.0\n6.496645 -0.059880 0.463377\n1.310094 12.049169 -1.771778\n0.166189 -0.202129 7.120007\nCa Cr P O\n4 4 8 28\ndirect\n0.847362 0.138446 0.285013 Ca\n0.847500 0.638413 0.784978 Ca\n0.152704 0.361554 0.215049 Ca\n0.152459 0.861619 0.715052 Ca\n0.665287 0.550801 0.312454 Cr\n0.334787 0.949186 0.187715 Cr\n0.664726 0.050690 0.812549 Cr\n0.334651 0.449091 0.687780 Cr\n0.159585 0.116413 0.857005 P\n0.159938 0.616405 0.357019 P\n0.840463 0.383600 0.642991 P\n0.840274 0.883614 0.142957 P\n0.635735 0.318032 0.994213 P\n0.635679 0.818016 0.494209 P\n0.364275 0.181957 0.505813 P\n0.364252 0.681976 0.005610 P\n0.777482 0.302443 0.787721 O\n0.777483 0.802458 0.287735 O\n0.222454 0.197587 0.712255 O\n0.222631 0.697610 0.212230 O\n0.987496 0.048000 0.779690 O\n0.988015 0.547964 0.279694 O\n0.012456 0.452009 0.720420 O\n0.012246 0.952051 0.220308 O\n0.582214 0.133877 0.530228 O\n0.582245 0.633955 0.030108 O\n0.417745 0.366157 0.969771 O\n0.417594 0.866102 0.469798 O\n0.356086 0.303190 0.469168 O\n0.356071 0.803254 0.969172 O\n0.643853 0.196773 0.030823 O\n0.644093 0.696770 0.530751 O\n0.911595 0.308121 0.451975 O\n0.911500 0.808121 0.951970 O\n0.088414 0.191899 0.047957 O\n0.088573 0.691902 0.548001 O\n0.652467 0.469373 0.640633 O\n0.652258 0.969372 0.140555 O\n0.347518 0.030634 0.859403 O\n0.347958 0.530668 0.359393 O\n0.255153 0.106859 0.361250 O\n0.255237 0.606768 0.861205 O\n0.744844 0.393150 0.138674 O\n0.744642 0.893119 0.638703 O\n",
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{
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"structure_string": "H40 S2 N16 O26\n1.0\n6.053626 0.000000 0.000000\n0.000000 10.116500 0.000000\n0.000000 0.743685 12.658726\nH S N O\n40 2 16 26\ndirect\n0.018494 0.994014 0.114188 H\n0.518494 0.005986 0.885812 H\n0.056053 0.964686 0.988148 H\n0.556053 0.035314 0.011852 H\n0.050205 0.263758 0.583875 H\n0.550205 0.736242 0.416125 H\n0.500614 0.410963 0.991903 H\n0.000614 0.589037 0.008097 H\n0.007872 0.002142 0.753369 H\n0.507872 0.997858 0.246631 H\n0.978605 0.493692 0.284821 H\n0.478605 0.506308 0.715179 H\n0.470871 0.508684 0.094736 H\n0.970871 0.491316 0.905264 H\n0.978579 0.949119 0.626236 H\n0.478579 0.050881 0.373764 H\n0.078689 0.591845 0.375770 H\n0.578689 0.408155 0.624230 H\n0.156415 0.617770 0.246548 H\n0.656415 0.382230 0.753452 H\n0.186988 0.893836 0.704657 H\n0.686988 0.106164 0.295343 H\n0.887795 0.332388 0.486918 H\n0.387795 0.667612 0.513082 H\n0.416854 0.343206 0.108064 H\n0.916854 0.656794 0.891936 H\n0.151522 0.292699 0.458961 H\n0.651522 0.707301 0.541039 H\n0.960254 0.170518 0.485847 H\n0.460254 0.829482 0.514153 H\n0.892707 0.651347 0.287319 H\n0.392707 0.348653 0.712681 H\n0.923644 0.846806 0.732066 H\n0.423644 0.153194 0.267934 H\n0.945193 0.842856 0.072592 H\n0.445193 0.157144 0.927408 H\n0.683977 0.397479 0.093024 H\n0.183977 0.602521 0.906976 H\n0.218391 0.887498 0.081846 H\n0.718391 0.112502 0.918154 H\n0.568122 0.749381 0.167881 S\n0.068122 0.250619 0.832119 S\n0.025906 0.253114 0.123920 N\n0.525906 0.746886 0.876080 N\n0.060894 0.619014 0.620600 N\n0.560894 0.380986 0.379400 N\n0.023694 0.923262 0.703873 N\n0.523694 0.076738 0.296127 N\n0.029082 0.588362 0.298270 N\n0.529082 0.411638 0.701730 N\n0.013405 0.264586 0.503500 N\n0.513405 0.735414 0.496500 N\n0.519694 0.415374 0.072017 N\n0.019694 0.584626 0.927983 N\n0.059629 0.920867 0.063622 N\n0.559629 0.079133 0.936378 N\n0.998724 0.949689 0.402100 N\n0.498724 0.050311 0.597900 N\n0.629556 0.734420 0.282028 O\n0.129556 0.265580 0.717972 O\n0.220744 0.208676 0.138822 O\n0.720744 0.791324 0.861178 O\n0.991974 0.377275 0.118347 O\n0.491974 0.622725 0.881653 O\n0.859979 0.646526 0.637788 O\n0.359979 0.353474 0.362212 O\n0.118856 0.567711 0.535541 O\n0.618856 0.432289 0.464459 O\n0.867339 0.173827 0.113833 O\n0.367339 0.826173 0.886167 O\n0.507152 0.891259 0.139487 O\n0.007152 0.108741 0.860513 O\n0.760852 0.710927 0.103360 O\n0.260852 0.289073 0.896640 O\n0.205883 0.643165 0.688819 O\n0.705883 0.356835 0.311181 O\n0.374155 0.663078 0.146177 O\n0.874155 0.336922 0.853823 O\n0.088874 0.838760 0.401532 O\n0.588874 0.161240 0.598468 O\n0.003773 0.030763 0.321645 O\n0.503773 0.969237 0.678355 O\n0.897072 0.985387 0.485108 O\n0.397072 0.014613 0.514892 O\n",
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},
{
"id": "mp-861568",
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"structure_string": "Mn4 O4 F4\n1.0\n-0.924175 3.579797 0.907551\n-2.897065 -0.827817 -7.730740\n-4.449409 -3.300727 0.555245\nMn O F\n4 4 4\ndirect\n0.134356 0.192362 0.575907 Mn\n0.865621 0.807645 0.424082 Mn\n0.134524 0.692340 0.075818 Mn\n0.865489 0.307662 0.924178 Mn\n0.665746 0.713588 0.117062 O\n0.665586 0.213698 0.617075 O\n0.334265 0.286410 0.882939 O\n0.334418 0.786298 0.382928 O\n0.073111 0.412866 0.234671 F\n0.073243 0.912834 0.734654 F\n0.926868 0.587133 0.765327 F\n0.926775 0.087164 0.265360 F\n",
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{
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