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{
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{
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"spacegroup": 42
},
{
"id": "mp-568306",
"created_at": "2022-09-04T14:39:32.259837Z",
"structure_string": "Mg5 Si6\n1.0\n2.007498 7.677390 0.000000\n-2.007498 7.677390 0.000000\n0.000000 2.471158 6.505956\nMg Si\n5 6\ndirect\n0.422913 0.422913 0.371245 Mg\n0.000000 0.000000 0.000000 Mg\n0.577087 0.577087 0.628755 Mg\n0.343654 0.343654 0.935687 Mg\n0.656346 0.656346 0.064313 Mg\n0.807588 0.807588 0.258705 Si\n0.057821 0.057821 0.330470 Si\n0.192412 0.192412 0.741295 Si\n0.793409 0.793409 0.630103 Si\n0.206591 0.206591 0.369897 Si\n0.942179 0.942179 0.669530 Si\n",
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{
"id": "mp-1203642",
"created_at": "2022-09-04T14:39:31.020694Z",
"structure_string": "K4 Si8 H4 O20\n1.0\n0.000000 0.000000 4.811171\n8.266382 0.000000 0.000000\n0.000000 12.666886 0.000000\nK Si H O\n4 8 4 20\ndirect\n0.962966 0.250000 0.538461 K\n0.537034 0.250000 0.038461 K\n0.037034 0.750000 0.461539 K\n0.462966 0.750000 0.961539 K\n0.474061 0.561920 0.686670 Si\n0.025939 0.938080 0.186670 Si\n0.525939 0.061920 0.313330 Si\n0.974061 0.438080 0.813330 Si\n0.525939 0.438080 0.313330 Si\n0.974061 0.061920 0.813330 Si\n0.474061 0.938080 0.686670 Si\n0.025939 0.561920 0.186670 Si\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.246483 0.550431 0.783509 O\n0.253517 0.949569 0.283509 O\n0.753517 0.050431 0.216491 O\n0.746483 0.449569 0.716491 O\n0.753517 0.449569 0.216491 O\n0.746483 0.050431 0.716491 O\n0.246483 0.949569 0.783509 O\n0.253517 0.550431 0.283509 O\n0.344519 0.505830 0.575145 O\n0.155481 0.994170 0.075145 O\n0.655481 0.005830 0.424855 O\n0.844519 0.494170 0.924855 O\n0.655481 0.494170 0.424855 O\n0.844519 0.005830 0.924855 O\n0.344519 0.994170 0.575145 O\n0.155481 0.505830 0.075145 O\n0.088023 0.250000 0.815892 O\n0.411977 0.250000 0.315892 O\n0.911977 0.750000 0.184108 O\n0.588023 0.750000 0.684108 O\n",
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{
"id": "mp-1005792",
"created_at": "2022-09-04T14:39:31.021677Z",
"structure_string": "Sm8 Cu4 As12 O4\n1.0\n3.991376 0.000000 0.000000\n0.000000 3.999568 0.000000\n0.000000 0.000000 34.822541\nSm Cu As O\n8 4 12 4\ndirect\n0.750000 0.751232 0.966883 Sm\n0.250000 0.251232 0.533117 Sm\n0.750000 0.748768 0.466883 Sm\n0.250000 0.248768 0.033117 Sm\n0.250000 0.307973 0.824177 Sm\n0.750000 0.807973 0.675823 Sm\n0.250000 0.192027 0.324177 Sm\n0.750000 0.692027 0.175823 Sm\n0.250000 0.808380 0.750036 Cu\n0.750000 0.308380 0.749964 Cu\n0.250000 0.691620 0.250036 Cu\n0.750000 0.191620 0.249964 Cu\n0.250000 0.830992 0.892979 As\n0.750000 0.330992 0.607021 As\n0.250000 0.669008 0.392979 As\n0.750000 0.169008 0.107021 As\n0.750000 0.251288 0.894095 As\n0.250000 0.751288 0.605905 As\n0.750000 0.248712 0.394095 As\n0.250000 0.748712 0.105905 As\n0.250000 0.309052 0.705477 As\n0.750000 0.809052 0.794523 As\n0.250000 0.190948 0.205477 As\n0.750000 0.690948 0.294523 As\n0.750000 0.251299 0.000135 O\n0.250000 0.751299 0.499865 O\n0.750000 0.248701 0.500135 O\n0.250000 0.748701 0.999865 O\n",
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"elements": [
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"As",
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],
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"density": 7.2291952863925335,
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"volume": 555.8993740085605,
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"formula_full": "Sm8 Cu4 As12 O4",
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"energy": -173.43139531,
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{
"id": "mp-849663",
"created_at": "2022-09-04T14:39:35.269644Z",
"structure_string": "Cs4 Cr4 H96 S8 O80\n1.0\n12.474776 0.000000 0.000000\n0.000000 12.474776 0.000000\n0.000000 0.000000 12.474776\nCs Cr H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.019560 0.292647 0.434052 H\n0.019560 0.207353 0.934052 H\n0.023795 0.703648 0.439427 H\n0.023795 0.796352 0.939427 H\n0.005971 0.231782 0.277443 H\n0.005971 0.268218 0.777443 H\n0.060573 0.976205 0.203648 H\n0.060573 0.523795 0.703648 H\n0.065948 0.519560 0.292647 H\n0.065948 0.980440 0.792647 H\n0.123474 0.222618 0.320119 H\n0.123474 0.277382 0.820119 H\n0.179881 0.623474 0.222618 H\n0.179881 0.876526 0.722618 H\n0.207353 0.565948 0.519560 H\n0.207353 0.934052 0.019560 H\n0.203648 0.060573 0.976205 H\n0.203648 0.439427 0.476205 H\n0.222557 0.505971 0.231782 H\n0.222557 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{
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"structure_string": "Zn1 Cu2 Ge1 Se4\n1.0\n-2.826414 2.826414 5.645426\n2.826414 -2.826414 5.645426\n2.826414 2.826414 -5.645426\nZn Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.384486 0.875641 0.000000 Se\n0.124359 0.124359 0.508844 Se\n0.615514 0.615514 0.491156 Se\n0.875641 0.384486 0.000000 Se\n",
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