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{
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"structure_string": "Ba1 Hf1 Mg6 O8\n1.0\n9.082754 0.000000 0.000000\n0.000000 4.753742 0.000000\n0.000000 0.000000 4.753742\nBa Hf Mg O\n1 1 6 8\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.000000 Hf\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255042 -0.000000 0.500000 Mg\n0.744958 0.000000 0.500000 Mg\n0.255042 0.500000 -0.000000 Mg\n0.744958 0.500000 0.000000 Mg\n0.279124 0.000000 0.000000 O\n0.720876 -0.000000 -0.000000 O\n0.249099 0.500000 0.500000 O\n0.750901 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Li1 Gd1 Se2\n1.0\n4.126063 0.000000 0.000000\n0.000000 4.126063 0.000000\n0.000000 0.000000 5.606562\nLi Gd Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
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},
{
"id": "mp-862332",
"created_at": "2022-09-04T14:47:55.953401Z",
"structure_string": "La2 Hg6\n1.0\n3.455437 -5.984992 0.000000\n3.455437 5.984992 0.000000\n0.000000 0.000000 5.172101\nLa Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 La\n0.666667 0.333333 0.750000 La\n0.837793 0.162207 0.250000 Hg\n0.837793 0.675585 0.250000 Hg\n0.324415 0.162207 0.250000 Hg\n0.162207 0.837793 0.750000 Hg\n0.162207 0.324415 0.750000 Hg\n0.675585 0.837793 0.750000 Hg\n",
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"formula_full": "La2 Hg6",
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"updated_at": "2021-11-28T01:38:15.435000Z",
"spacegroup": 194
},
{
"id": "mp-1204204",
"created_at": "2022-09-04T14:47:55.957357Z",
"structure_string": "Nd4 P8 H8 O32\n1.0\n6.765901 0.000000 0.000000\n0.000000 7.121659 0.000000\n0.000000 0.000000 16.776014\nNd P H O\n4 8 8 32\ndirect\n0.861164 0.425620 0.228681 Nd\n0.138836 0.925620 0.271319 Nd\n0.361164 0.074380 0.771319 Nd\n0.638836 0.574380 0.728681 Nd\n0.112429 0.718882 0.077693 P\n0.887571 0.218882 0.422307 P\n0.612429 0.781118 0.922307 P\n0.387571 0.281118 0.577693 P\n0.827568 0.089615 0.739331 P\n0.172432 0.589615 0.760669 P\n0.327568 0.410385 0.260669 P\n0.672432 0.910385 0.239331 P\n0.287756 0.614004 0.076810 H\n0.712244 0.114004 0.423190 H\n0.787756 0.885996 0.923190 H\n0.212244 0.385996 0.576810 H\n0.879723 0.125177 0.659390 H\n0.120277 0.625177 0.840610 H\n0.379723 0.374823 0.340610 H\n0.620277 0.874823 0.159390 H\n0.943026 0.591508 0.107142 O\n0.056974 0.091508 0.392858 O\n0.443026 0.908492 0.892858 O\n0.556974 0.408492 0.607142 O\n0.145361 0.890046 0.131261 O\n0.854639 0.390046 0.368739 O\n0.645361 0.609954 0.868739 O\n0.354639 0.109954 0.631261 O\n0.059923 0.776069 0.991136 O\n0.940077 0.276069 0.508864 O\n0.559923 0.723931 0.008864 O\n0.440077 0.223931 0.491136 O\n0.017346 0.074312 0.787696 O\n0.982654 0.574312 0.712304 O\n0.517346 0.425688 0.212304 O\n0.482654 0.925688 0.287696 O\n0.694268 0.911828 0.740566 O\n0.305732 0.411828 0.759434 O\n0.194268 0.588172 0.259434 O\n0.805732 0.088172 0.240566 O\n0.313169 0.750224 0.732933 O\n0.686831 0.250224 0.767067 O\n0.813169 0.749776 0.267067 O\n0.186831 0.249776 0.232933 O\n0.396677 0.271840 0.963871 O\n0.603323 0.771840 0.536129 O\n0.896677 0.228160 0.036129 O\n0.103323 0.728160 0.463871 O\n0.933184 0.287615 0.969215 O\n0.066816 0.787615 0.530785 O\n0.433184 0.212385 0.030785 O\n0.566816 0.712385 0.469215 O\n",
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"volume": 808.3428358241135,
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"formula_full": "Nd4 P8 H8 O32",
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"spacegroup": 19
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{
"id": "mp-867991",
"created_at": "2022-09-04T14:47:55.957690Z",
"structure_string": "Mn1 V3 Cu2 P6 O24\n1.0\n8.567691 -0.029428 -0.020772\n4.278356 -7.446153 0.000000\n4.278356 -2.493964 -7.016077\nMn V Cu P O\n1 3 2 6 24\ndirect\n0.571604 0.142798 0.142798 Mn\n0.071493 0.642836 0.642836 V\n0.426528 0.857824 0.857824 V\n0.927363 0.357545 0.357545 V\n0.999305 0.000231 0.000231 Cu\n0.498591 0.500470 0.500470 Cu\n0.250179 0.249669 0.541488 P\n0.250179 0.958663 0.249669 P\n0.250179 0.541488 0.958663 P\n0.751473 0.458870 0.040167 P\n0.751473 0.040167 0.749490 P\n0.751473 0.749490 0.458870 P\n0.067072 0.123263 0.305087 O\n0.067072 0.504578 0.123263 O\n0.067072 0.305087 0.504578 O\n0.237842 0.082548 0.737203 O\n0.433247 0.195515 0.384381 O\n0.253083 0.417692 0.564158 O\n0.237842 0.942408 0.082548 O\n0.253083 0.765067 0.417692 O\n0.567559 0.621998 0.003913 O\n0.253083 0.564158 0.765067 O\n0.769274 0.266410 0.050428 O\n0.567559 0.003913 0.806531 O\n0.433247 0.986857 0.195515 O\n0.237842 0.737203 0.942408 O\n0.740141 0.444815 0.234089 O\n0.433247 0.384381 0.986857 O\n0.740141 0.234089 0.580954 O\n0.769274 0.050428 0.913889 O\n0.740141 0.580954 0.444815 O\n0.567559 0.806531 0.621998 O\n0.769274 0.913889 0.266410 O\n0.931836 0.686534 0.502147 O\n0.931836 0.502147 0.879483 O\n0.931836 0.879483 0.686534 O\n",
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"elements": [
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"formula_full": "Mn1 V3 Cu2 P6 O24",
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{
"id": "mp-1203779",
"created_at": "2022-09-04T14:47:55.962098Z",
"structure_string": "La4 Re12 O64\n1.0\n7.564832 0.000000 0.000000\n0.000000 11.576612 0.000000\n0.000000 1.034582 16.229748\nLa Re O\n4 12 64\ndirect\n0.397605 0.205303 0.841854 La\n0.897605 0.794697 0.658146 La\n0.602395 0.794697 0.158146 La\n0.102395 0.205303 0.341854 La\n0.381104 0.942853 0.662682 Re\n0.881104 0.057147 0.837318 Re\n0.618896 0.057147 0.337318 Re\n0.118896 0.942853 0.162682 Re\n0.372976 0.857813 0.921260 Re\n0.872976 0.142187 0.578740 Re\n0.627024 0.142187 0.078740 Re\n0.127024 0.857813 0.421260 Re\n0.225623 0.563485 0.571162 Re\n0.725623 0.436515 0.928838 Re\n0.774377 0.436515 0.428838 Re\n0.274377 0.563485 0.071162 Re\n0.494814 0.801090 0.843108 O\n0.994814 0.198910 0.656892 O\n0.505186 0.198910 0.156892 O\n0.005186 0.801090 0.343108 O\n0.486179 0.330468 0.699569 O\n0.986179 0.669532 0.800431 O\n0.513821 0.669532 0.300431 O\n0.013821 0.330468 0.199569 O\n0.414873 0.647725 0.580402 O\n0.914873 0.352275 0.919598 O\n0.585127 0.352275 0.419598 O\n0.085127 0.647725 0.080402 O\n0.395071 0.010137 0.909413 O\n0.895071 0.989863 0.590587 O\n0.604929 0.989863 0.090587 O\n0.104929 0.010137 0.409413 O\n0.388979 0.054962 0.730967 O\n0.888979 0.945038 0.769033 O\n0.611021 0.945038 0.269033 O\n0.111021 0.054962 0.230967 O\n0.341078 0.571655 0.968682 O\n0.841078 0.428345 0.531318 O\n0.658922 0.428345 0.031318 O\n0.158922 0.571655 0.468682 O\n0.332780 0.002127 0.565530 O\n0.832780 0.997873 0.934470 O\n0.667220 0.997873 0.434470 O\n0.167220 0.002127 0.065530 O\n0.285026 0.517913 0.779869 O\n0.785026 0.482087 0.720131 O\n0.714974 0.482087 0.220131 O\n0.214974 0.517913 0.279869 O\n0.274993 0.419043 0.601117 O\n0.774993 0.580957 0.898883 O\n0.725007 0.580957 0.398883 O\n0.225007 0.419043 0.101117 O\n0.208272 0.259098 0.970488 O\n0.708272 0.740902 0.529512 O\n0.791728 0.740902 0.029512 O\n0.291728 0.259098 0.470488 O\n0.207006 0.847382 0.692365 O\n0.707006 0.152618 0.807635 O\n0.792994 0.152618 0.307635 O\n0.292994 0.847382 0.192365 O\n0.208074 0.423804 0.785752 O\n0.708074 0.576196 0.714248 O\n0.791926 0.576196 0.214248 O\n0.291926 0.423804 0.285752 O\n0.152130 0.823641 0.907610 O\n0.652130 0.176359 0.592390 O\n0.847870 0.176359 0.092390 O\n0.347870 0.823641 0.407610 O\n0.049516 0.803947 0.519998 O\n0.549516 0.196053 0.980002 O\n0.950484 0.196053 0.480002 O\n0.450484 0.803947 0.019998 O\n0.083739 0.132551 0.838984 O\n0.583739 0.867449 0.661016 O\n0.916261 0.867449 0.161016 O\n0.416261 0.132551 0.338984 O\n0.055703 0.616374 0.636645 O\n0.555703 0.383626 0.863355 O\n0.944297 0.383626 0.363355 O\n0.444297 0.616374 0.136645 O\n",
"nsites": 80,
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:47:55.980342Z",
"structure_string": "Rb4 U4 Se4 O32\n1.0\n8.333535 0.000000 0.000000\n0.000000 8.717292 0.000000\n0.000000 3.959066 11.268660\nRb U Se O\n4 4 4 32\ndirect\n0.958399 0.063170 0.201910 Rb\n0.458399 0.936830 0.298090 Rb\n0.041601 0.936830 0.798090 Rb\n0.541601 0.063170 0.701910 Rb\n0.090684 0.569846 0.206504 U\n0.590684 0.430154 0.293496 U\n0.909316 0.430154 0.793496 U\n0.409316 0.569846 0.706504 U\n0.232096 0.200580 0.460825 Se\n0.732096 0.799420 0.039175 Se\n0.767904 0.799420 0.539175 Se\n0.267904 0.200580 0.960825 Se\n0.021506 0.414805 0.146236 O\n0.521506 0.585195 0.353764 O\n0.978494 0.585195 0.853764 O\n0.478494 0.414805 0.646236 O\n0.172199 0.740127 0.248069 O\n0.672199 0.259873 0.251931 O\n0.827801 0.259873 0.751931 O\n0.327801 0.740127 0.748069 O\n0.848886 0.533314 0.296070 O\n0.348886 0.466686 0.203930 O\n0.151114 0.466686 0.703930 O\n0.651114 0.533314 0.796070 O\n0.932918 0.772638 0.070867 O\n0.432918 0.227362 0.429133 O\n0.067082 0.227362 0.929133 O\n0.567082 0.772638 0.570867 O\n0.145125 0.384686 0.391639 O\n0.645125 0.615314 0.108361 O\n0.854875 0.615314 0.608361 O\n0.354875 0.384686 0.891639 O\n0.274709 0.678008 0.059658 O\n0.774709 0.321992 0.440342 O\n0.725291 0.321992 0.940342 O\n0.225291 0.678008 0.559658 O\n0.210241 0.154716 0.604976 O\n0.710241 0.845284 0.895024 O\n0.789759 0.845284 0.395024 O\n0.289759 0.154716 0.104976 O\n0.167163 0.063225 0.404341 O\n0.667163 0.936775 0.095659 O\n0.832837 0.936775 0.595659 O\n0.332837 0.063225 0.904341 O\n",
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{
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{
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