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{
"id": "mp-1245071",
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"structure_string": "Cr28 Fe4 O48\n1.0\n10.051434 -0.110247 0.143606\n-0.093020 10.171770 0.125385\n0.129599 0.141220 9.296894\nCr Fe O\n28 4 48\ndirect\n0.279458 0.178405 0.459977 Cr\n0.077477 0.369518 0.028567 Cr\n0.306363 0.856159 0.252458 Cr\n0.605219 0.960550 0.070690 Cr\n0.607890 0.320386 0.060296 Cr\n0.635282 0.362055 0.445454 Cr\n0.053555 0.687662 0.302069 Cr\n0.409145 0.741907 0.821014 Cr\n0.464131 0.289375 0.707277 Cr\n0.701704 0.011205 0.680510 Cr\n0.880430 0.144718 0.896729 Cr\n0.294700 0.539865 0.270625 Cr\n0.206354 0.582639 0.675118 Cr\n0.481549 0.630264 0.477021 Cr\n0.750863 0.860468 0.401613 Cr\n0.971437 0.133494 0.515612 Cr\n0.717640 0.650430 0.935634 Cr\n0.980073 0.419563 0.422010 Cr\n0.834236 0.468903 0.145857 Cr\n0.961223 0.859391 0.727205 Cr\n0.808931 0.371956 0.740832 Cr\n0.159536 0.283848 0.741133 Cr\n0.507945 0.072599 0.353449 Cr\n0.192978 0.023911 0.917860 Cr\n0.877460 0.905363 0.031477 Cr\n0.732473 0.621607 0.635978 Cr\n0.324661 0.241984 0.088046 Cr\n0.212724 0.870466 0.573294 Cr\n0.085592 0.696295 0.988065 Fe\n0.054996 0.993774 0.248835 Fe\n0.425496 0.016179 0.773238 Fe\n0.822618 0.185197 0.250944 Fe\n0.632210 0.981852 0.487633 O\n0.497995 0.232101 0.498342 O\n0.879245 0.011678 0.371980 O\n0.838050 0.267895 0.439667 O\n0.114161 0.133323 0.361402 O\n0.224184 0.994521 0.118078 O\n0.653284 0.515407 0.059954 O\n0.758736 0.290558 0.936845 O\n0.841688 0.147265 0.688054 O\n0.988095 0.320492 0.836156 O\n0.455881 0.285262 0.939920 O\n0.808589 0.548975 0.805898 O\n0.805542 0.823807 0.609735 O\n0.211800 0.689276 0.168143 O\n0.184411 0.216352 0.949747 O\n0.250956 0.632706 0.867728 O\n0.998022 0.823455 0.160057 O\n0.484660 0.925637 0.224776 O\n0.632653 0.122709 0.167708 O\n0.086633 0.734626 0.652660 O\n0.146900 0.546193 0.417762 O\n0.276149 0.890864 0.784932 O\n0.067923 0.989827 0.611381 O\n0.921293 0.089375 0.104884 O\n0.301316 0.161204 0.689048 O\n0.747163 0.995693 0.904863 O\n0.572594 0.131703 0.747867 O\n0.725594 0.855781 0.161409 O\n0.012273 0.982537 0.883900 O\n0.298215 0.413732 0.691677 O\n0.647918 0.690796 0.457226 O\n0.343918 0.996638 0.457962 O\n0.984807 0.530186 0.025322 O\n0.358677 0.698013 0.614973 O\n0.902686 0.567372 0.302424 O\n0.491234 0.891908 0.932330 O\n0.965376 0.334884 0.201266 O\n0.626611 0.415113 0.650587 O\n0.143917 0.846019 0.375837 O\n0.377910 0.196275 0.271568 O\n0.591917 0.686274 0.785296 O\n0.475229 0.474015 0.392652 O\n0.699207 0.344331 0.242413 O\n0.391472 0.698356 0.330816 O\n0.867701 0.489032 0.571081 O\n0.238910 0.402326 0.141650 O\n0.088669 0.292618 0.550697 O\n0.885462 0.760971 0.903173 O\n",
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],
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"density_atomic": 0.0842055388471061,
"volume": 950.0562682136363,
"volume_molar": 7.1517157213785385,
"formula_full": "Cr28 Fe4 O48",
"formula_reduced": "Cr7FeO12",
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"updated_at": "2021-11-28T01:38:37.263000Z",
"spacegroup": 1
},
{
"id": "mp-1200293",
"created_at": "2022-09-04T14:48:08.760079Z",
"structure_string": "K16 Ag8 Sn12 S36 O8\n1.0\n27.422773 0.000000 0.000000\n0.000000 7.862954 0.000000\n0.000000 2.332508 10.269012\nK Ag Sn S O\n16 8 12 36 8\ndirect\n0.250000 0.673060 0.771609 K\n0.750000 0.326940 0.228391 K\n0.250000 0.092560 0.386040 K\n0.750000 0.907440 0.613960 K\n0.250000 0.191536 0.980122 K\n0.750000 0.808464 0.019878 K\n0.250000 0.562895 0.401054 K\n0.750000 0.437105 0.598946 K\n0.560431 0.236449 0.618739 K\n0.060431 0.763551 0.381261 K\n0.439569 0.763551 0.381261 K\n0.939569 0.236449 0.618739 K\n0.567225 0.825556 0.079113 K\n0.067225 0.174444 0.920887 K\n0.432775 0.174444 0.920887 K\n0.932775 0.825556 0.079113 K\n0.375826 0.355297 0.312994 Ag\n0.875826 0.644703 0.687006 Ag\n0.624174 0.644703 0.687006 Ag\n0.124174 0.355297 0.312994 Ag\n0.372628 0.516283 0.666466 Ag\n0.872628 0.483717 0.333534 Ag\n0.627372 0.483717 0.333534 Ag\n0.127372 0.516283 0.666466 Ag\n0.369152 0.673635 0.994506 Sn\n0.869152 0.326365 0.005494 Sn\n0.630848 0.326365 0.005494 Sn\n0.130848 0.673635 0.994506 Sn\n0.362792 0.001865 0.640218 Sn\n0.862792 0.998135 0.359782 Sn\n0.637208 0.998135 0.359782 Sn\n0.137208 0.001865 0.640218 Sn\n0.486585 0.738721 0.763261 Sn\n0.986585 0.261279 0.236739 Sn\n0.513415 0.261279 0.236739 Sn\n0.013415 0.738721 0.763261 Sn\n0.334191 0.952062 0.867436 S\n0.834191 0.047938 0.132564 S\n0.665809 0.047938 0.132564 S\n0.165809 0.952062 0.867436 S\n0.451779 0.016103 0.634116 S\n0.951779 0.983897 0.365884 S\n0.548221 0.983897 0.365884 S\n0.048221 0.016103 0.634116 S\n0.465373 0.498806 0.671624 S\n0.965373 0.501194 0.328376 S\n0.534627 0.501194 0.328376 S\n0.034627 0.498806 0.671624 S\n0.346705 0.658396 0.215299 S\n0.846705 0.341604 0.784701 S\n0.653295 0.341604 0.784701 S\n0.153295 0.658396 0.215299 S\n0.331470 0.788658 0.534221 S\n0.831470 0.211342 0.465779 S\n0.668530 0.211342 0.465779 S\n0.168530 0.788658 0.534221 S\n0.335992 0.294055 0.539401 S\n0.835992 0.705945 0.460599 S\n0.664008 0.705945 0.460599 S\n0.164008 0.294055 0.539401 S\n0.344213 0.441058 0.899626 S\n0.844213 0.558942 0.100374 S\n0.655787 0.558942 0.100374 S\n0.155787 0.441058 0.899626 S\n0.457907 0.720889 0.988454 S\n0.957907 0.279111 0.011546 S\n0.542093 0.279111 0.011546 S\n0.042093 0.720889 0.988454 S\n0.568724 0.834246 0.774320 S\n0.068724 0.165754 0.225680 S\n0.431276 0.165754 0.225680 S\n0.931276 0.834246 0.774320 S\n0.250000 0.358530 0.687629 O\n0.750000 0.641470 0.312371 O\n0.250000 0.396569 0.193393 O\n0.750000 0.603431 0.806607 O\n0.309245 0.069196 0.186867 O\n0.809245 0.930804 0.813133 O\n0.690755 0.930804 0.813133 O\n0.190755 0.069196 0.186867 O\n",
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"volume": 2214.24547071569,
"volume_molar": 16.66812237730293,
"formula_full": "K16 Ag8 Sn12 S36 O8",
"formula_reduced": "K4Ag2Sn3S9O2",
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{
"id": "mp-757918",
"created_at": "2022-09-04T14:48:07.980798Z",
"structure_string": "Li4 V16 P12 O48\n1.0\n6.523512 0.000000 0.000000\n0.000000 10.038114 0.000000\n0.000000 0.000000 14.419374\nLi V P O\n4 16 12 48\ndirect\n0.055410 0.739957 0.250000 Li\n0.444590 0.239957 0.750000 Li\n0.555410 0.760043 0.250000 Li\n0.944590 0.260043 0.750000 Li\n0.149865 0.451835 0.598094 V\n0.149865 0.451835 0.901906 V\n0.153400 0.846883 0.609346 V\n0.153400 0.846883 0.890654 V\n0.346600 0.346883 0.109346 V\n0.346600 0.346883 0.390654 V\n0.350135 0.951835 0.098094 V\n0.350135 0.951835 0.401906 V\n0.649865 0.048165 0.598094 V\n0.649865 0.048165 0.901906 V\n0.653400 0.653117 0.609346 V\n0.653400 0.653117 0.890654 V\n0.846600 0.153117 0.109346 V\n0.846600 0.153117 0.390654 V\n0.850135 0.548165 0.401906 V\n0.850135 0.548165 0.098094 V\n0.993951 0.403929 0.250000 P\n0.146542 0.130854 0.574696 P\n0.146542 0.130854 0.925304 P\n0.353458 0.630854 0.074696 P\n0.353458 0.630854 0.425304 P\n0.506049 0.903929 0.750000 P\n0.493951 0.096071 0.250000 P\n0.646542 0.369146 0.574696 P\n0.646542 0.369146 0.925304 P\n0.853458 0.869146 0.425304 P\n0.853458 0.869146 0.074696 P\n0.006049 0.596071 0.750000 P\n0.023840 0.962897 0.114529 O\n0.023840 0.962897 0.385471 O\n0.063388 0.445025 0.750000 O\n0.098263 0.651896 0.658867 O\n0.098263 0.651896 0.841133 O\n0.083120 0.207532 0.013741 O\n0.083120 0.207532 0.486259 O\n0.177733 0.524935 0.051565 O\n0.177733 0.524935 0.448435 O\n0.217469 0.234643 0.646142 O\n0.217469 0.234643 0.853858 O\n0.227234 0.381769 0.250000 O\n0.272766 0.881769 0.750000 O\n0.282531 0.734643 0.353858 O\n0.282531 0.734643 0.146142 O\n0.322267 0.024935 0.551565 O\n0.322267 0.024935 0.948435 O\n0.416880 0.707532 0.513741 O\n0.416880 0.707532 0.986259 O\n0.401737 0.151896 0.158867 O\n0.401737 0.151896 0.341133 O\n0.436612 0.945025 0.250000 O\n0.476160 0.462897 0.614529 O\n0.476160 0.462897 0.885471 O\n0.523840 0.537103 0.114529 O\n0.523840 0.537103 0.385471 O\n0.563388 0.054975 0.750000 O\n0.598263 0.848104 0.658867 O\n0.598263 0.848104 0.841133 O\n0.583120 0.292468 0.013741 O\n0.583120 0.292468 0.486259 O\n0.677733 0.975065 0.448435 O\n0.677733 0.975065 0.051565 O\n0.717469 0.265357 0.646142 O\n0.717469 0.265357 0.853858 O\n0.727234 0.118231 0.250000 O\n0.772766 0.618231 0.750000 O\n0.782531 0.765357 0.146142 O\n0.782531 0.765357 0.353858 O\n0.822267 0.475065 0.551565 O\n0.822267 0.475065 0.948435 O\n0.916880 0.792468 0.513741 O\n0.916880 0.792468 0.986259 O\n0.901737 0.348104 0.158867 O\n0.901737 0.348104 0.341133 O\n0.936612 0.554975 0.250000 O\n0.976160 0.037103 0.614529 O\n0.976160 0.037103 0.885471 O\n",
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"formula_full": "Li4 V16 P12 O48",
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{
"id": "mp-1215093",
"created_at": "2022-09-04T14:39:13.178924Z",
"structure_string": "Cs8 Te4 H24 Se4 O40\n1.0\n7.599079 0.000000 0.000000\n0.000000 12.599941 0.000000\n0.000000 4.683042 12.136448\nCs Te H Se O\n8 4 24 4 40\ndirect\n0.467637 0.384772 0.367776 Cs\n0.532363 0.615228 0.632224 Cs\n0.967637 0.115228 0.632224 Cs\n0.032363 0.884772 0.367776 Cs\n0.992543 0.642001 0.136103 Cs\n0.007457 0.357999 0.863897 Cs\n0.492543 0.857999 0.863897 Cs\n0.507457 0.142001 0.136103 Cs\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.282231 0.898171 0.080450 H\n0.717769 0.101829 0.919550 H\n0.782231 0.601829 0.919550 H\n0.217769 0.398171 0.080450 H\n0.794647 0.658812 0.384653 H\n0.205353 0.341188 0.615347 H\n0.294647 0.841188 0.615347 H\n0.705353 0.158812 0.384653 H\n0.750450 0.874465 0.595033 H\n0.249550 0.125535 0.404967 H\n0.250450 0.625535 0.404967 H\n0.749550 0.374465 0.595033 H\n0.523728 0.875214 0.385372 H\n0.476272 0.124786 0.614628 H\n0.023728 0.624786 0.614628 H\n0.976272 0.375214 0.385372 H\n0.466154 0.604117 0.129092 H\n0.533846 0.395883 0.870908 H\n0.966154 0.895883 0.870908 H\n0.033846 0.104117 0.129092 H\n0.754336 0.898604 0.127761 H\n0.245664 0.101396 0.872239 H\n0.254336 0.601396 0.872239 H\n0.745664 0.398604 0.127761 H\n0.499649 0.747842 0.251015 Se\n0.500351 0.252158 0.748985 Se\n0.999649 0.752158 0.748985 Se\n0.000351 0.247842 0.251015 Se\n0.786418 0.776701 0.715057 O\n0.213582 0.223299 0.284943 O\n0.286418 0.723299 0.284943 O\n0.713582 0.276701 0.715057 O\n0.920511 0.636790 0.381130 O\n0.079489 0.363210 0.618870 O\n0.420511 0.863210 0.618870 O\n0.579489 0.136790 0.381130 O\n0.379222 0.577642 0.084115 O\n0.620778 0.422358 0.915885 O\n0.879222 0.922358 0.915885 O\n0.120778 0.077642 0.084115 O\n0.885443 0.898783 0.135427 O\n0.114557 0.101217 0.864573 O\n0.385443 0.601217 0.864573 O\n0.614557 0.398783 0.135427 O\n0.516894 0.873623 0.146461 O\n0.483106 0.126377 0.853539 O\n0.016894 0.626377 0.853539 O\n0.983106 0.373623 0.146461 O\n0.694724 0.608420 0.973667 O\n0.305276 0.391580 0.026333 O\n0.194724 0.891580 0.026333 O\n0.805276 0.108420 0.973667 O\n0.583486 0.643349 0.214489 O\n0.416514 0.356651 0.785511 O\n0.083486 0.856651 0.785511 O\n0.916514 0.143349 0.214489 O\n0.441831 0.937081 0.385654 O\n0.558169 0.062919 0.614346 O\n0.941831 0.562919 0.614346 O\n0.058169 0.437081 0.385654 O\n0.613460 0.751577 0.361203 O\n0.386540 0.248423 0.638797 O\n0.113460 0.748423 0.638797 O\n0.886540 0.251577 0.361203 O\n0.736437 0.935914 0.519137 O\n0.263563 0.064086 0.480863 O\n0.236437 0.564086 0.480863 O\n0.763563 0.435914 0.519137 O\n",
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"formula_full": "Cs8 Te4 H24 Se4 O40",
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{
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}