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{
"id": "mp-19317",
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{
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"elements": [
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"formula_full": "U4 H16 N8 O40",
"formula_reduced": "UH4(NO5)2",
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"energy": -473.70723702,
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"spacegroup": 14
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{
"id": "mp-982558",
"created_at": "2022-09-04T14:45:37.211779Z",
"structure_string": "Ho1 Ge1 O3\n1.0\n3.904923 0.000000 0.000000\n0.000000 3.904923 0.000000\n0.000000 0.000000 3.904923\nHo Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"id": "mp-1176190",
"created_at": "2022-09-04T14:45:37.212360Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.914075 0.000000 0.000000\n-0.216521 5.107170 0.000000\n-0.787456 -0.958102 19.429086\nLi Mn Co O\n9 2 5 16\ndirect\n0.063477 0.669574 0.118283 Li\n0.686829 0.558699 0.370870 Li\n0.316106 0.433803 0.627502 Li\n0.936367 0.331022 0.881757 Li\n0.549542 0.184183 0.121396 Li\n0.183608 0.066653 0.372562 Li\n0.813859 0.941577 0.629123 Li\n0.450666 0.815259 0.878505 Li\n0.499931 0.499888 0.000050 Li\n0.999954 0.999432 0.999843 Mn\n0.249890 0.750393 0.500100 Mn\n0.622133 0.873995 0.249406 Co\n0.877290 0.625510 0.750673 Co\n0.123182 0.374143 0.248886 Co\n0.750110 0.250231 0.499974 Co\n0.377149 0.126175 0.751001 Co\n0.508636 0.858518 0.055343 O\n0.167746 0.725019 0.308848 O\n0.799493 0.578422 0.556317 O\n0.416525 0.475495 0.807339 O\n0.033195 0.312514 0.058169 O\n0.665510 0.226481 0.308062 O\n0.310738 0.083976 0.556894 O\n0.916409 0.976358 0.805994 O\n0.582336 0.524157 0.192527 O\n0.189122 0.416129 0.443293 O\n0.833524 0.275788 0.691674 O\n0.491479 0.141565 0.944531 O\n0.083663 0.022017 0.194016 O\n0.700264 0.921847 0.443782 O\n0.334472 0.774079 0.691501 O\n0.966796 0.687100 0.941778 O\n",
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{
"id": "mp-569321",
"created_at": "2022-09-04T14:45:37.213820Z",
"structure_string": "Mn2 Ru1 C6 N6\n1.0\n3.039767 -5.265031 0.000000\n3.039767 5.265031 0.000000\n0.000000 0.000000 6.779421\nMn Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 Mn\n0.000000 0.000000 0.000000 Ru\n0.000000 0.745358 0.812003 C\n0.000000 0.254642 0.187997 C\n0.254642 0.254642 0.812003 C\n0.745358 0.000000 0.812003 C\n0.254642 0.000000 0.187997 C\n0.745358 0.745358 0.187997 C\n0.384218 0.000000 0.318917 N\n0.615782 0.615782 0.318917 N\n0.384218 0.384218 0.681083 N\n0.000000 0.384218 0.318917 N\n0.000000 0.615782 0.681083 N\n0.615782 0.000000 0.681083 N\n",
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"density": 2.808737011491032,
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"volume": 217.00204596090526,
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"formula_full": "Mn2 Ru1 C6 N6",
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"energy": -132.69332133999998,
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{
"id": "mp-1175998",
"created_at": "2022-09-04T14:45:37.223960Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.198243 -0.053015 -2.784908\n-3.086265 9.634845 0.532116\n-0.224610 -0.270230 5.919094\nLi Mn Co O\n9 2 5 16\ndirect\n0.000189 0.996929 0.501551 Li\n0.001039 0.259465 0.259169 Li\n0.998475 0.502228 0.993849 Li\n0.500795 0.997803 0.997016 Li\n0.501990 0.255935 0.757957 Li\n0.506308 0.504576 0.501683 Li\n0.498163 0.745789 0.242328 Li\n0.990377 0.740718 0.737502 Li\n0.993455 0.497863 0.498484 Li\n0.003902 0.000417 0.997912 Mn\n0.999659 0.254055 0.751063 Mn\n0.002381 0.740291 0.250534 Co\n0.492014 0.995169 0.499739 Co\n0.506744 0.255529 0.259373 Co\n0.507817 0.501537 0.004266 Co\n0.488811 0.740518 0.749249 Co\n0.780840 0.879036 0.120609 O\n0.770895 0.119821 0.872394 O\n0.763950 0.363185 0.642506 O\n0.263849 0.880638 0.615038 O\n0.252322 0.122429 0.342523 O\n0.246534 0.362782 0.107168 O\n0.271883 0.634012 0.869839 O\n0.736395 0.622636 0.347058 O\n0.217934 0.123391 0.866949 O\n0.241227 0.370332 0.649196 O\n0.247475 0.638224 0.371588 O\n0.747360 0.135209 0.402291 O\n0.718088 0.365025 0.133397 O\n0.746803 0.623952 0.879329 O\n0.755760 0.881165 0.653589 O\n0.246569 0.889343 0.124851 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "La2 B2 O6\n1.0\n5.130665 0.000000 0.000000\n0.000000 4.188185 0.000000\n0.000000 2.019766 6.102033\nLa B O\n2 2 6\ndirect\n0.750000 0.383346 0.776191 La\n0.250000 0.616654 0.223809 La\n0.750000 0.001236 0.253753 B\n0.250000 0.998764 0.746247 B\n0.982732 0.157003 0.171205 O\n0.482732 0.842997 0.828795 O\n0.250000 0.328487 0.611373 O\n0.750000 0.671513 0.388627 O\n0.017268 0.842997 0.828795 O\n0.517268 0.157003 0.171205 O\n",
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{
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{
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