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{
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{
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"structure_string": "Ca4 Mn2 Fe2 Si8 H10 O30\n1.0\n9.267055 -0.288962 3.278185\n0.326519 8.556622 5.111388\n0.473272 1.251206 9.570089\nCa Mn Fe Si H O\n4 2 2 8 10 30\ndirect\n0.405224 0.167203 0.351995 Ca\n0.487797 0.705965 0.162477 Ca\n0.512203 0.294035 0.837523 Ca\n0.594776 0.832797 0.648005 Ca\n0.208011 0.999182 0.274978 Mn\n0.791989 0.000818 0.725022 Mn\n0.105007 0.788719 0.163783 Fe\n0.894993 0.211281 0.836217 Fe\n0.978833 0.205164 0.390322 Si\n0.203458 0.200250 0.872084 Si\n0.181278 0.557951 0.507973 Si\n0.229230 0.760833 0.805076 Si\n0.770770 0.239167 0.194924 Si\n0.818722 0.442049 0.492027 Si\n0.796542 0.799750 0.127916 Si\n0.021167 0.794836 0.609678 Si\n0.093610 0.444926 0.386965 H\n0.502061 0.987415 0.199645 H\n0.375252 0.396349 0.586872 H\n0.259588 0.579010 0.897943 H\n0.854554 0.657051 0.995049 H\n0.145446 0.342949 0.004951 H\n0.740412 0.420990 0.102057 H\n0.624749 0.603651 0.413128 H\n0.497939 0.012585 0.800355 H\n0.906390 0.555074 0.613035 H\n0.804495 0.199893 0.044903 O\n0.954447 0.389690 0.365850 O\n0.151034 0.162434 0.350906 O\n0.927172 0.227179 0.234213 O\n0.854448 0.463260 0.636036 O\n0.372101 0.190633 0.767156 O\n0.109268 0.315232 0.721741 O\n0.105644 0.026400 0.066121 O\n0.351384 0.520648 0.510150 O\n0.361307 0.890927 0.615879 O\n0.230052 0.307580 0.944011 O\n0.417562 0.489027 0.097988 O\n0.233762 0.773367 0.303517 O\n0.461050 0.439388 0.242460 O\n0.433823 0.080346 0.162777 O\n0.566177 0.919654 0.837223 O\n0.538950 0.560612 0.757540 O\n0.766238 0.226633 0.696483 O\n0.582438 0.510973 0.902012 O\n0.769948 0.692420 0.055989 O\n0.638693 0.109073 0.384121 O\n0.648616 0.479352 0.489850 O\n0.894356 0.973600 0.933879 O\n0.890732 0.684768 0.278259 O\n0.627899 0.809367 0.232844 O\n0.145552 0.536740 0.363964 O\n0.072828 0.772821 0.765787 O\n0.848966 0.837566 0.649094 O\n0.045553 0.610310 0.634150 O\n0.195505 0.800107 0.955097 O\n",
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"elements": [
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"formula_full": "Ca4 Mn2 Fe2 Si8 H10 O30",
"formula_reduced": "Ca2MnFeSi4(HO3)5",
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},
{
"id": "mp-1100166",
"created_at": "2022-09-04T14:42:00.133350Z",
"structure_string": "Y1 Mg3\n1.0\n5.057552 0.000000 0.000000\n0.000000 5.057552 0.000000\n0.000000 0.000000 3.968217\nY Mg\n1 3\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
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"elements": [
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],
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"density": 2.6473261449915158,
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"formula_full": "Y1 Mg3",
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"formation_energy": null,
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"updated_at": "2021-11-28T01:35:33.865000Z",
"spacegroup": 123
},
{
"id": "mp-1021409",
"created_at": "2022-09-04T14:46:55.047875Z",
"structure_string": "Rb2 Mg12 Sn2\n1.0\n5.272996 0.000000 0.000000\n0.000000 6.958474 0.000000\n0.000000 0.000000 11.967108\nRb Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.834909 Rb\n0.500000 0.000000 0.334909 Rb\n0.500000 0.243798 0.083847 Mg\n0.500000 0.756202 0.083847 Mg\n0.000000 0.229016 0.922112 Mg\n0.000000 0.770984 0.922112 Mg\n0.000000 0.500000 0.164267 Mg\n0.000000 0.500000 0.650633 Mg\n0.500000 0.743798 0.583847 Mg\n0.500000 0.256202 0.583847 Mg\n0.000000 0.729016 0.422112 Mg\n0.000000 0.270984 0.422112 Mg\n0.000000 0.000000 0.664267 Mg\n0.000000 0.000000 0.150633 Mg\n0.500000 0.500000 0.338275 Sn\n0.500000 0.000000 0.838275 Sn\n",
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"elements": [
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],
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"density": 2.6472573010724845,
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"volume": 439.09719337010193,
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"formula_full": "Rb2 Mg12 Sn2",
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"spacegroup": 38
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{
"id": "mp-7956",
"created_at": "2022-09-04T14:43:15.163740Z",
"structure_string": "Na6 Sb2\n1.0\n2.687958 -4.655681 0.000000\n2.687958 4.655681 0.000000\n0.000000 0.000000 9.560530\nNa Sb\n6 2\ndirect\n0.333333 0.666667 0.917402 Na\n0.666667 0.333333 0.417402 Na\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.582598 Na\n0.666667 0.333333 0.082598 Na\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n",
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"elements": [
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],
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"density": 2.647151928840332,
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"volume": 239.28620292877855,
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{
"id": "mp-774641",
"created_at": "2022-09-04T14:46:35.996354Z",
"structure_string": "Na6 Mn4 P4 C4 O28\n1.0\n6.578444 0.000000 0.000000\n-0.194150 8.978775 0.000000\n-0.069315 -0.272271 10.382826\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.004911 0.240116 0.131058 Na\n0.486850 0.239119 0.125143 Na\n0.024686 0.241834 0.628280 Na\n0.513150 0.760881 0.874857 Na\n0.995089 0.759884 0.868942 Na\n0.975314 0.758166 0.371720 Na\n0.743885 0.345642 0.853757 Mn\n0.742532 0.348353 0.361532 Mn\n0.256115 0.654358 0.146243 Mn\n0.257468 0.651647 0.638468 Mn\n0.249135 0.425644 0.896714 P\n0.245955 0.428063 0.389970 P\n0.750865 0.574356 0.103286 P\n0.754045 0.571937 0.610030 P\n0.753214 0.076771 0.884267 C\n0.746206 0.077662 0.384958 C\n0.246786 0.923229 0.115733 C\n0.253794 0.922338 0.615042 C\n0.240276 0.060457 0.100968 O\n0.246595 0.058649 0.605165 O\n0.751387 0.141293 0.773040 O\n0.736396 0.146771 0.273125 O\n0.747069 0.175592 0.981261 O\n0.749398 0.175556 0.481772 O\n0.060854 0.327171 0.860036 O\n0.436243 0.330202 0.870528 O\n0.058063 0.326705 0.354870 O\n0.432331 0.336333 0.350284 O\n0.241788 0.463189 0.046011 O\n0.747090 0.425806 0.176320 O\n0.242408 0.465644 0.537319 O\n0.761868 0.422776 0.680665 O\n0.252910 0.574194 0.823680 O\n0.758212 0.536811 0.953989 O\n0.238132 0.577224 0.319335 O\n0.757592 0.534356 0.462681 O\n0.563757 0.669798 0.129472 O\n0.939146 0.672829 0.139964 O\n0.567669 0.663667 0.649716 O\n0.941937 0.673295 0.645130 O\n0.252931 0.824408 0.018739 O\n0.250602 0.824444 0.518228 O\n0.248613 0.858707 0.226960 O\n0.263604 0.853229 0.726875 O\n0.759724 0.939543 0.899032 O\n0.753405 0.941351 0.394835 O\n",
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"spacegroup": 2
}
]
}