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{
"id": "mp-1332900",
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"structure_string": "Li12 Cr8 P12 O48\n1.0\n4.411878 7.936056 0.000000\n-4.411878 7.936056 0.000000\n0.000000 7.863858 14.356668\nLi Cr P O\n12 8 12 48\ndirect\n0.097508 0.321712 0.401992 Li\n0.194615 0.528534 0.807725 Li\n0.602994 0.397006 0.500000 Li\n0.471466 0.805385 0.192275 Li\n0.678288 0.902492 0.598008 Li\n0.994670 0.000930 0.250112 Li\n0.320697 0.103597 0.900848 Li\n0.530021 0.193306 0.307311 Li\n0.404831 0.603027 0.998019 Li\n0.806694 0.469979 0.692689 Li\n0.896403 0.679303 0.099152 Li\n0.999070 0.005330 0.749888 Li\n0.245237 0.241393 0.220175 Cr\n0.643155 0.172753 0.914968 Cr\n0.827247 0.356845 0.085032 Cr\n0.758607 0.754763 0.779825 Cr\n0.240104 0.248993 0.718480 Cr\n0.169663 0.646267 0.413955 Cr\n0.353733 0.830337 0.586045 Cr\n0.751007 0.759896 0.281520 Cr\n0.333994 0.896602 0.377460 P\n0.252033 0.220246 0.061094 P\n0.623550 0.189868 0.720127 P\n0.810132 0.376450 0.279873 P\n0.779754 0.747967 0.938906 P\n0.103398 0.666006 0.622540 P\n0.895392 0.336883 0.876127 P\n0.218813 0.255161 0.559226 P\n0.186758 0.625992 0.219790 P\n0.374008 0.813242 0.780210 P\n0.744839 0.781187 0.440774 P\n0.663117 0.104608 0.123873 P\n0.196859 0.389653 0.461841 O\n0.060135 0.325498 0.642801 O\n0.875673 0.178521 0.875858 O\n0.498460 0.197015 0.197118 O\n0.174631 0.441137 0.269911 O\n0.604540 0.203643 0.032424 O\n0.278278 0.101050 0.351854 O\n0.204602 0.387879 0.088622 O\n0.648090 0.270264 0.779875 O\n0.774267 0.913489 0.947924 O\n0.639645 0.300678 0.620184 O\n0.385456 0.200505 0.963198 O\n0.008210 0.227169 0.267533 O\n0.324336 0.061368 0.144042 O\n0.772831 0.991790 0.732467 O\n0.176428 0.877182 0.376480 O\n0.699322 0.360355 0.379816 O\n0.193404 0.502732 0.696555 O\n0.086511 0.225733 0.052076 O\n0.438559 0.178261 0.769315 O\n0.198453 0.605175 0.532399 O\n0.729736 0.351910 0.220125 O\n0.898950 0.721722 0.648146 O\n0.612121 0.795398 0.911378 O\n0.386343 0.207583 0.586897 O\n0.099477 0.282064 0.850369 O\n0.267229 0.652064 0.278841 O\n0.796357 0.395460 0.967576 O\n0.558863 0.825369 0.730089 O\n0.911155 0.782650 0.443924 O\n0.802985 0.501540 0.802882 O\n0.296593 0.642107 0.119671 O\n0.821479 0.124327 0.124142 O\n0.228642 0.010521 0.765905 O\n0.674502 0.939865 0.357199 O\n0.989479 0.771358 0.234095 O\n0.610347 0.803141 0.538159 O\n0.357893 0.703407 0.880329 O\n0.217350 0.088845 0.556076 O\n0.347936 0.732771 0.721159 O\n0.792417 0.613657 0.413103 O\n0.717936 0.900523 0.149631 O\n0.394825 0.801547 0.467601 O\n0.821739 0.561441 0.230685 O\n0.497268 0.806596 0.303445 O\n0.122818 0.823572 0.623520 O\n0.938632 0.675664 0.855958 O\n0.799495 0.614544 0.036802 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:39:49.932188Z",
"structure_string": "Pd3 N16 O16\n1.0\n-3.856756 3.856756 10.878520\n3.856756 -3.856756 10.878520\n3.856756 3.856756 -10.878520\nPd N O\n3 16 16\ndirect\n0.000000 0.000000 0.000000 Pd\n0.260367 0.260367 0.000000 Pd\n0.739633 0.739633 0.000000 Pd\n0.159792 0.159792 0.000000 N\n0.840208 0.840208 0.000000 N\n0.185021 0.813922 0.000000 N\n0.813922 0.185021 0.000000 N\n0.814979 0.814979 0.628901 N\n0.186078 0.186078 0.371099 N\n0.449615 0.078143 0.000000 N\n0.078143 0.449615 0.000000 N\n0.550385 0.550385 0.628527 N\n0.921857 0.921857 0.371473 N\n0.348861 0.348861 0.000000 N\n0.651139 0.651139 0.000000 N\n0.120910 0.620910 0.500000 N\n0.879090 0.379090 0.500000 N\n0.379090 0.879090 0.500000 N\n0.620910 0.120910 0.500000 N\n0.232989 0.032807 0.000000 O\n0.032807 0.232989 0.000000 O\n0.767011 0.767011 0.799818 O\n0.967193 0.967193 0.200182 O\n0.178479 0.678479 0.500000 O\n0.821521 0.321521 0.500000 O\n0.321521 0.821521 0.500000 O\n0.678479 0.178479 0.500000 O\n0.231780 0.576409 0.624336 O\n0.952073 0.607444 0.375664 O\n0.768220 0.392556 0.344628 O\n0.047927 0.423591 0.655372 O\n0.392556 0.768220 0.344628 O\n0.423591 0.047927 0.655372 O\n0.607444 0.952073 0.375664 O\n0.576409 0.231780 0.624336 O\n",
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"formula_full": "Pd3 N16 O16",
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{
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"structure_string": "Li4 H8 Br4 O20\n1.0\n0.000000 -5.563265 0.000000\n-7.624947 2.781632 0.000000\n3.927897 0.000000 -10.214941\nLi H Br O\n4 8 4 20\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.429889 0.000000 0.250000 Li\n0.570111 0.000000 0.750000 Li\n0.548775 0.210492 0.509731 H\n0.338283 0.789508 0.990269 H\n0.451225 0.789508 0.490269 H\n0.661717 0.210492 0.009731 H\n0.769812 0.292285 0.433630 H\n0.477526 0.707715 0.066370 H\n0.230188 0.707715 0.566370 H\n0.522474 0.292285 0.933630 H\n0.817098 0.741121 0.288922 Br\n0.075977 0.258879 0.211078 Br\n0.182902 0.258879 0.711078 Br\n0.924023 0.741121 0.788922 Br\n0.768399 0.652066 0.126944 O\n0.116333 0.347934 0.373056 O\n0.231601 0.347934 0.873056 O\n0.883667 0.652066 0.626944 O\n0.732613 0.570005 0.347401 O\n0.162609 0.429995 0.152599 O\n0.267387 0.429995 0.652599 O\n0.837391 0.570005 0.847401 O\n0.122578 0.872196 0.341480 O\n0.250382 0.127804 0.158520 O\n0.877422 0.127804 0.658520 O\n0.749618 0.872196 0.841480 O\n0.636844 0.869544 0.340652 O\n0.767300 0.130456 0.159348 O\n0.363156 0.130456 0.659348 O\n0.232700 0.869544 0.840652 O\n0.581930 0.252705 0.435145 O\n0.329224 0.747295 0.064855 O\n0.418070 0.747295 0.564855 O\n0.670776 0.252705 0.935145 O\n",
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{
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{
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{
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{
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"elements": [
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],
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"formula_full": "Rb1 Mg14 Zn1",
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},
{
"id": "mp-1187097",
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"formula_full": "Sr2 Pd1 Pt1",
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"updated_at": "2021-11-28T01:34:49.303000Z",
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{
"id": "mp-990265",
"created_at": "2022-09-04T14:39:57.808994Z",
"structure_string": "Cu1 Sn1 F6\n1.0\n-5.177910 0.000000 0.000000\n2.451175 4.667403 0.000000\n-0.021262 -2.840846 -4.701958\nCu Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Sn\n0.244531 0.368343 0.753461 F\n0.755469 0.631657 0.246539 F\n0.393803 0.001223 0.265679 F\n0.606197 0.998777 0.734321 F\n0.870686 0.610072 0.752524 F\n0.129314 0.389928 0.247476 F\n",
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"elements": [
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"density": 4.329060578381936,
"density_atomic": 0.07040142389837153,
"volume": 113.63406529317442,
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"formula_full": "Cu1 Sn1 F6",
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"updated_at": "2021-11-28T01:35:03.537000Z",
"spacegroup": 2
},
{
"id": "mp-765981",
"created_at": "2022-09-04T14:39:49.972606Z",
"structure_string": "Li2 V2 Fe2 P8 O28\n1.0\n2.731566 -0.029958 6.736456\n-0.063789 8.169646 -0.044045\n-7.052095 0.030651 6.552283\nLi V Fe P O\n2 2 2 8 28\ndirect\n0.583654 0.372175 0.739031 Li\n0.083654 0.372175 0.239031 Li\n0.973084 0.512623 0.750719 V\n0.473084 0.512623 0.250719 V\n0.032660 0.002746 0.234683 Fe\n0.532660 0.002746 0.734683 Fe\n0.456073 0.187512 0.054325 P\n0.956073 0.187512 0.554325 P\n0.160783 0.782029 0.928703 P\n0.660783 0.782029 0.428703 P\n0.832979 0.287282 0.065859 P\n0.332979 0.287282 0.565859 P\n0.547236 0.691361 0.930069 P\n0.047236 0.691361 0.430069 P\n0.420961 0.346591 0.403184 O\n0.920961 0.346591 0.903184 O\n0.523153 0.679250 0.372995 O\n0.023153 0.679250 0.872995 O\n0.319417 0.051690 0.138056 O\n0.819417 0.051690 0.638056 O\n0.384758 0.356672 0.125790 O\n0.884758 0.356672 0.625790 O\n0.526939 0.666736 0.094347 O\n0.026939 0.666736 0.594347 O\n0.743976 0.432308 0.169590 O\n0.243976 0.432308 0.669590 O\n0.663516 0.155492 0.077773 O\n0.163516 0.155492 0.577773 O\n0.334115 0.650773 0.921895 O\n0.834115 0.650773 0.421895 O\n0.254124 0.928721 0.829937 O\n0.754124 0.928721 0.329937 O\n0.498079 0.195251 0.887156 O\n0.998079 0.195251 0.387156 O\n0.608195 0.864702 0.878642 O\n0.108195 0.864702 0.378642 O\n0.679331 0.559535 0.830270 O\n0.179331 0.559535 0.330270 O\n0.484495 0.202284 0.614989 O\n0.984495 0.202284 0.114989 O\n0.555757 0.824170 0.590778 O\n0.055757 0.824170 0.090778 O\n",
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"elements": [
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"volume": 534.2972066475204,
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"formula_full": "Li2 V2 Fe2 P8 O28",
"formula_reduced": "LiVFe(P2O7)2",
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]
}