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{
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{
"id": "mp-698227",
"created_at": "2022-09-04T14:42:03.475472Z",
"structure_string": "Cr2 P4 H26 N4 O20\n1.0\n7.166399 0.000000 0.000000\n-1.847553 8.301768 0.000000\n-1.526466 -3.251983 9.017151\nCr P H N O\n2 4 26 4 20\ndirect\n0.237896 0.803030 0.710852 Cr\n0.762104 0.196970 0.289148 Cr\n0.218114 0.452345 0.773707 P\n0.781886 0.547655 0.226293 P\n0.605684 0.673811 0.797710 P\n0.394316 0.326189 0.202290 P\n0.223652 0.414117 0.994211 H\n0.776347 0.585883 0.005789 H\n0.501925 0.093918 0.732837 H\n0.498075 0.906082 0.267163 H\n0.280876 0.125686 0.703388 H\n0.719124 0.874314 0.296612 H\n0.952658 0.790635 0.496159 H\n0.047342 0.209365 0.503841 H\n0.857966 0.751825 0.628995 H\n0.142034 0.248175 0.371005 H\n0.296544 0.774166 0.438712 H\n0.703456 0.225834 0.561288 H\n0.446806 0.690089 0.526788 H\n0.553194 0.309911 0.473212 H\n0.216590 0.581821 0.447885 H\n0.783410 0.418179 0.552115 H\n0.239253 0.882095 0.996124 H\n0.760747 0.117905 0.003876 H\n0.012467 0.837978 0.902665 H\n0.987533 0.162022 0.097335 H\n0.172410 0.029212 0.937551 H\n0.827590 0.970788 0.062449 H\n0.888028 0.196330 0.765462 H\n0.111972 0.803670 0.234538 H\n0.779961 0.295216 0.875743 H\n0.220039 0.704784 0.124257 H\n0.306314 0.702293 0.506829 N\n0.693686 0.297707 0.493171 N\n0.155504 0.899726 0.909102 N\n0.844496 0.100274 0.090898 N\n0.125151 0.562634 0.700575 O\n0.874849 0.437366 0.299425 O\n0.126035 0.261050 0.693973 O\n0.873965 0.738950 0.306027 O\n0.208135 0.506712 0.940891 O\n0.791865 0.493288 0.059109 O\n0.447873 0.487309 0.770145 O\n0.552127 0.512691 0.229855 O\n0.489599 0.807720 0.830162 O\n0.510401 0.192280 0.169838 O\n0.674197 0.653233 0.655080 O\n0.325803 0.346767 0.344920 O\n0.766638 0.706268 0.934542 O\n0.233362 0.293732 0.065458 O\n0.357843 0.041890 0.707791 O\n0.642157 0.958110 0.292209 O\n0.980697 0.817939 0.605815 O\n0.019303 0.182061 0.394185 O\n0.760355 0.188870 0.793713 O\n0.239645 0.811130 0.206287 O\n",
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"formula_full": "Cr2 P4 H26 N4 O20",
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"spacegroup": 2
},
{
"id": "mp-770518",
"created_at": "2022-09-04T14:42:03.485698Z",
"structure_string": "Li4 Ti3 Mn3 Co2 O16\n1.0\n5.870560 0.000000 0.000000\n-2.914900 -5.105829 0.000000\n-0.069032 0.016013 -9.727801\nLi Ti Mn Co O\n4 3 3 2 16\ndirect\n0.327324 0.670765 0.109418 Li\n0.007441 0.001021 0.002706 Li\n0.007139 0.993626 0.501497 Li\n0.662488 0.333154 0.606969 Li\n0.659255 0.822933 0.782970 Ti\n0.156018 0.335765 0.785445 Ti\n0.827263 0.167694 0.286070 Ti\n0.173146 0.835651 0.786427 Mn\n0.829455 0.662107 0.284731 Mn\n0.335477 0.168565 0.284951 Mn\n0.335069 0.664994 0.507807 Co\n0.667459 0.337005 0.010612 Co\n0.684943 0.840453 0.394142 O\n0.485351 0.519198 0.670734 O\n0.334734 0.669304 0.895538 O\n0.004925 0.996897 0.686557 O\n0.001072 0.994932 0.187843 O\n0.159279 0.314069 0.394049 O\n0.480820 0.966558 0.669184 O\n0.034978 0.520450 0.667825 O\n0.845503 0.163737 0.893868 O\n0.160482 0.838959 0.390449 O\n0.960958 0.483542 0.169891 O\n0.513777 0.035479 0.169755 O\n0.662771 0.336916 0.393004 O\n0.849326 0.686066 0.894306 O\n0.513050 0.482955 0.171668 O\n0.320799 0.157504 0.893743 O\n",
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"formula_full": "Li4 Ti3 Mn3 Co2 O16",
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},
{
"id": "mp-1207494",
"created_at": "2022-09-04T14:42:03.494841Z",
"structure_string": "Zn12 Ag12 P12 O48\n1.0\n0.000000 -8.309054 0.000000\n-7.743594 0.000000 4.321983\n-7.768002 0.000000 -13.666586\nZn Ag P O\n12 12 12 48\ndirect\n0.209361 0.082068 0.736665 Zn\n0.790639 0.917932 0.263335 Zn\n0.709361 0.417932 0.763335 Zn\n0.290639 0.582068 0.236665 Zn\n0.712128 0.933268 0.909055 Zn\n0.287872 0.066732 0.090945 Zn\n0.212128 0.566732 0.590945 Zn\n0.787872 0.433268 0.409055 Zn\n0.706508 0.893746 0.580986 Zn\n0.293492 0.106254 0.419014 Zn\n0.206508 0.606254 0.919014 Zn\n0.793492 0.393746 0.080986 Zn\n0.521667 0.269468 0.589761 Ag\n0.478333 0.730532 0.410239 Ag\n0.021667 0.230532 0.910239 Ag\n0.978333 0.769468 0.089761 Ag\n0.990302 0.216089 0.564272 Ag\n0.009698 0.783911 0.435728 Ag\n0.490302 0.283911 0.935728 Ag\n0.509698 0.716089 0.064272 Ag\n0.500005 0.790583 0.754139 Ag\n0.499995 0.209417 0.245861 Ag\n0.000005 0.709417 0.745861 Ag\n0.999995 0.290583 0.254139 Ag\n0.818579 0.076464 0.735540 P\n0.181421 0.923536 0.264460 P\n0.318579 0.423536 0.764460 P\n0.681421 0.576464 0.235540 P\n0.818032 0.599324 0.920884 P\n0.181968 0.400676 0.079116 P\n0.318032 0.900676 0.579116 P\n0.681968 0.099324 0.420884 P\n0.320666 0.940095 0.909809 P\n0.679334 0.059905 0.090191 P\n0.820666 0.559905 0.590191 P\n0.179334 0.440095 0.409809 P\n0.340691 0.780354 0.950538 O\n0.659309 0.219646 0.049462 O\n0.840691 0.719646 0.549462 O\n0.159309 0.280354 0.450538 O\n0.227970 0.922360 0.824740 O\n0.772030 0.077640 0.175260 O\n0.727970 0.577640 0.675260 O\n0.272030 0.422360 0.324740 O\n0.726352 0.454511 0.529090 O\n0.273648 0.545489 0.470910 O\n0.226352 0.045489 0.970910 O\n0.773648 0.954511 0.029090 O\n0.729907 0.222454 0.707717 O\n0.270093 0.777546 0.292283 O\n0.229907 0.277546 0.792283 O\n0.770093 0.722454 0.207717 O\n0.986327 0.069927 0.691896 O\n0.013673 0.930073 0.308104 O\n0.486327 0.430073 0.808104 O\n0.513673 0.569927 0.191896 O\n0.776763 0.056769 0.503499 O\n0.223237 0.943231 0.496501 O\n0.276763 0.443231 0.996501 O\n0.723237 0.556769 0.003499 O\n0.489629 0.009316 0.891506 O\n0.510371 0.990684 0.108494 O\n0.989629 0.490684 0.608494 O\n0.010371 0.509316 0.391506 O\n0.842622 0.458355 0.864165 O\n0.157378 0.541645 0.135835 O\n0.342622 0.041645 0.635835 O\n0.657378 0.958355 0.364165 O\n0.724353 0.722519 0.869965 O\n0.275647 0.277481 0.130035 O\n0.224353 0.777481 0.630035 O\n0.775647 0.222519 0.369965 O\n0.984772 0.665147 0.947027 O\n0.015228 0.334853 0.052973 O\n0.484772 0.834853 0.552973 O\n0.515228 0.165147 0.447027 O\n0.721337 0.936341 0.703980 O\n0.278663 0.063659 0.296020 O\n0.221337 0.563659 0.796020 O\n0.778663 0.436341 0.203980 O\n0.837827 0.067972 0.833791 O\n0.162173 0.932028 0.166209 O\n0.337827 0.432028 0.666209 O\n0.662173 0.567972 0.333791 O\n",
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"formula_full": "Zn12 Ag12 P12 O48",
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"spacegroup": 14
},
{
"id": "mp-1195232",
"created_at": "2022-09-04T14:42:03.495375Z",
"structure_string": "Eu4 B8 H32\n1.0\n-6.980194 0.000000 0.000000\n0.000000 0.000000 -7.485319\n0.000000 -8.212657 0.000000\nEu B H\n4 8 32\ndirect\n0.000000 0.250000 0.175180 Eu\n0.500000 0.750000 0.324820 Eu\n0.000000 0.750000 0.824820 Eu\n0.500000 0.250000 0.675180 Eu\n0.754694 0.073572 0.381856 B\n0.745306 0.573572 0.118144 B\n0.254694 0.926428 0.118144 B\n0.245306 0.426428 0.381856 B\n0.245306 0.926428 0.618144 B\n0.254694 0.426428 0.881856 B\n0.745306 0.073572 0.881856 B\n0.754694 0.573572 0.618144 B\n0.666925 0.152828 0.274640 H\n0.833075 0.652828 0.225360 H\n0.166925 0.847172 0.225360 H\n0.333075 0.347172 0.274640 H\n0.333075 0.847172 0.725360 H\n0.166925 0.347172 0.774640 H\n0.833075 0.152828 0.774640 H\n0.666925 0.652828 0.725360 H\n0.861594 0.961073 0.321956 H\n0.638406 0.461073 0.178044 H\n0.361594 0.038927 0.178044 H\n0.138406 0.538927 0.321956 H\n0.138406 0.038927 0.678044 H\n0.361594 0.538927 0.821956 H\n0.638406 0.961073 0.821956 H\n0.861594 0.461073 0.678044 H\n0.850926 0.177566 0.463187 H\n0.649074 0.677566 0.036813 H\n0.350926 0.822434 0.036813 H\n0.149074 0.322434 0.463187 H\n0.149074 0.822434 0.536813 H\n0.350926 0.322434 0.963187 H\n0.649074 0.177566 0.963187 H\n0.850926 0.677566 0.536813 H\n0.640972 0.999716 0.473837 H\n0.859028 0.499716 0.026163 H\n0.140972 0.000284 0.026163 H\n0.359028 0.500284 0.473837 H\n0.359028 0.000284 0.526163 H\n0.140972 0.500284 0.973837 H\n0.859028 0.999716 0.973837 H\n0.640972 0.499716 0.526163 H\n",
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{
"id": "mp-759513",
"created_at": "2022-09-04T14:42:03.526916Z",
"structure_string": "Li14 Ni2 O8 F4\n1.0\n5.349604 0.197594 -0.175782\n-2.779263 1.405637 4.929685\n2.228390 -8.457085 5.076017\nLi Ni O F\n14 2 8 4\ndirect\n0.093912 0.036805 0.226953 Li\n0.095642 0.621897 0.745955 Li\n0.485580 0.943300 0.384321 Li\n0.538572 0.572546 0.115057 Li\n0.265468 0.217034 0.442231 Li\n0.237094 0.720001 0.962087 Li\n0.304753 0.348422 0.676771 Li\n0.722894 0.238683 0.060577 Li\n0.754892 0.774549 0.527067 Li\n0.476737 0.494892 0.892626 Li\n0.524807 0.029771 0.616420 Li\n0.931416 0.463935 0.279016 Li\n0.890964 0.903270 0.751190 Li\n0.652388 0.149141 0.836725 Li\n0.042482 0.039990 0.957128 Ni\n0.004821 0.493736 0.508357 Ni\n0.086011 0.824353 0.397622 O\n0.243637 0.963389 0.802260 O\n0.365161 0.193698 0.028973 O\n0.347948 0.680461 0.565371 O\n0.065256 0.369540 0.892255 O\n0.652119 0.309759 0.462648 O\n0.656038 0.835633 0.937789 O\n0.938353 0.159560 0.608023 O\n0.253451 0.398852 0.278783 F\n0.906368 0.609483 0.110567 F\n0.751127 0.053981 0.213456 F\n0.712107 0.553318 0.719775 F\n",
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{
"id": "mp-558945",
"created_at": "2022-09-04T14:42:03.498362Z",
"structure_string": "Hg12 As4 Br4 O16\n1.0\n8.701070 0.000000 0.000000\n0.000000 8.701070 0.000000\n0.000000 0.000000 8.701070\nHg As Br O\n12 4 4 16\ndirect\n0.893666 0.857521 0.552732 Hg\n0.142479 0.052732 0.606334 Hg\n0.393666 0.642479 0.447268 Hg\n0.357521 0.947268 0.106334 Hg\n0.052732 0.606334 0.142479 Hg\n0.606334 0.142479 0.052732 Hg\n0.947268 0.106334 0.357521 Hg\n0.552732 0.893666 0.857521 Hg\n0.642479 0.447268 0.393666 Hg\n0.447268 0.393666 0.642479 Hg\n0.857521 0.552732 0.893666 Hg\n0.106334 0.357521 0.947268 Hg\n0.517081 0.017081 0.482919 As\n0.482919 0.517081 0.017081 As\n0.982919 0.982919 0.982919 As\n0.017081 0.482919 0.517081 As\n0.263730 0.763730 0.736270 Br\n0.236270 0.236270 0.236270 Br\n0.763730 0.736270 0.263730 Br\n0.736270 0.263730 0.763730 Br\n0.602094 0.395704 0.124375 O\n0.895704 0.375625 0.397906 O\n0.604296 0.624375 0.897906 O\n0.104296 0.875625 0.102094 O\n0.102094 0.104296 0.875625 O\n0.630435 0.130435 0.369565 O\n0.397906 0.895704 0.375625 O\n0.897906 0.604296 0.624375 O\n0.869565 0.869565 0.869565 O\n0.130435 0.369565 0.630435 O\n0.369565 0.630435 0.130435 O\n0.375625 0.397906 0.895704 O\n0.124375 0.602094 0.395704 O\n0.875625 0.102094 0.104296 O\n0.624375 0.897906 0.604296 O\n0.395704 0.124375 0.602094 O\n",
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},
{
"id": "mp-722903",
"created_at": "2022-09-04T14:42:03.502662Z",
"structure_string": "K2 Li1 Al1 F6\n1.0\n2.559686 -4.433507 0.000000\n2.559686 4.433507 0.000000\n0.000000 0.000000 10.945149\nK Li Al F\n2 1 1 6\ndirect\n0.000000 0.000000 0.733963 K\n0.000000 0.000000 0.266037 K\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.750495 F\n0.500000 0.500000 0.750495 F\n0.000000 0.500000 0.750495 F\n0.500000 0.000000 0.249505 F\n0.500000 0.500000 0.249505 F\n0.000000 0.500000 0.249505 F\n",
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],
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"volume": 248.41954695474382,
"volume_molar": 14.960174792968965,
"formula_full": "K2 Li1 Al1 F6",
"formula_reduced": "K2LiAlF6",
"formula_anonymous": "ABC2D6",
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