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{
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"structure_string": "K24 Al24 Ge24 O96\n1.0\n9.330515 -16.160927 0.000000\n9.330515 16.160927 0.000000\n0.000000 0.000000 8.730944\nK Al Ge O\n24 24 24 96\ndirect\n0.333333 0.666667 0.983687 K\n0.185003 0.332964 0.490222 K\n0.666667 0.333333 0.483687 K\n0.667501 0.803926 0.986150 K\n0.332964 0.147961 0.990222 K\n0.471031 0.994249 0.989874 K\n0.814997 0.667036 0.990222 K\n0.667036 0.852039 0.490222 K\n0.136424 0.332499 0.986150 K\n0.803926 0.136424 0.486150 K\n0.333333 0.666667 0.481033 K\n0.005751 0.476782 0.989874 K\n0.666667 0.333333 0.981033 K\n0.994249 0.523218 0.489874 K\n0.000000 0.000000 0.501163 K\n0.528969 0.005751 0.489874 K\n0.147961 0.814997 0.490222 K\n0.852039 0.185003 0.990222 K\n0.196074 0.863576 0.986150 K\n0.863576 0.667501 0.486150 K\n0.476782 0.471031 0.489874 K\n0.332499 0.196074 0.486150 K\n0.000000 0.000000 0.001163 K\n0.523218 0.528969 0.989874 K\n0.500574 0.179118 0.689548 Al\n0.010778 0.839682 0.170053 Al\n0.839682 0.828905 0.670053 Al\n0.160318 0.171095 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0.732592 O\n0.687771 0.096276 0.261927 O\n0.764622 0.527394 0.811133 O\n0.096276 0.408505 0.761927 O\n0.970312 0.739702 0.721492 O\n0.426222 0.565448 0.806749 O\n0.384065 0.858127 0.498131 O\n0.635153 0.562183 0.737806 O\n0.364847 0.437817 0.237806 O\n0.988067 0.666490 0.988800 O\n0.267475 0.537680 0.702988 O\n0.398858 0.103174 0.232592 O\n0.903857 0.805323 0.171223 O\n0.858127 0.474062 0.998131 O\n0.394675 0.793718 0.209999 O\n0.270205 0.732525 0.702988 O\n0.437817 0.072970 0.737806 O\n0.235223 0.264928 0.260162 O\n0.600957 0.394675 0.709999 O\n0.098534 0.903857 0.671223 O\n0.537680 0.270205 0.202988 O\n0.361123 0.930731 0.218684 O\n0.264928 0.029705 0.760162 O\n0.064664 0.127516 0.268286 O\n0.260298 0.230610 0.721492 O\n0.569607 0.638877 0.218684 O\n0.638877 0.069269 0.718684 O\n0.029705 0.764777 0.260162 O\n0.903724 0.591495 0.261927 O\n0.858845 0.812756 0.478111 O\n0.896826 0.295683 0.232592 O\n0.462320 0.729795 0.702988 O\n0.072970 0.635153 0.237806 O\n0.201475 0.717168 0.999649 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"elements": [
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"volume": 2633.074106497226,
"volume_molar": 9.438537440974716,
"formula_full": "K24 Al24 Ge24 O96",
"formula_reduced": "KAlGeO4",
"formula_anonymous": "ABCD4",
"energy": -1152.33575963,
"energy_per_atom": -6.859141426369048,
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"updated_at": "2021-11-28T01:37:42.349000Z",
"spacegroup": 173
},
{
"id": "mp-1195306",
"created_at": "2022-09-04T14:40:53.768527Z",
"structure_string": "K28 Fe16 Te32\n1.0\n8.796618 0.000000 0.000000\n0.000000 17.234964 0.000000\n0.000000 0.000000 17.364415\nK Fe Te\n28 16 32\ndirect\n0.756708 0.510842 0.009807 K\n0.743292 0.010842 0.490193 K\n0.743292 0.489158 0.509807 K\n0.756708 0.989158 0.990193 K\n0.243292 0.489158 0.990193 K\n0.256708 0.989158 0.509807 K\n0.256708 0.510842 0.490193 K\n0.243292 0.010842 0.009807 K\n0.819356 0.749605 0.241327 K\n0.680644 0.249605 0.258673 K\n0.680644 0.250395 0.741327 K\n0.819356 0.750395 0.758673 K\n0.180644 0.250395 0.758673 K\n0.319356 0.750395 0.741327 K\n0.319356 0.749605 0.258673 K\n0.180644 0.249605 0.241327 K\n0.796227 0.500812 0.266207 K\n0.703773 0.000812 0.233793 K\n0.703773 0.499188 0.766207 K\n0.796227 0.999188 0.733793 K\n0.203773 0.499188 0.733793 K\n0.296227 0.999188 0.766207 K\n0.296227 0.500812 0.233793 K\n0.203773 0.000812 0.266207 K\n0.779022 0.750000 0.000000 K\n0.720978 0.250000 0.500000 K\n0.220978 0.250000 0.000000 K\n0.279022 0.750000 0.500000 K\n0.884135 0.700245 0.445700 Fe\n0.615865 0.200245 0.054300 Fe\n0.615865 0.299755 0.945700 Fe\n0.884135 0.799755 0.554300 Fe\n0.115865 0.299755 0.554300 Fe\n0.384135 0.799755 0.945700 Fe\n0.384135 0.700245 0.054300 Fe\n0.115865 0.200245 0.445700 Fe\n0.674989 0.804625 0.449692 Fe\n0.825011 0.304625 0.050308 Fe\n0.825011 0.195375 0.949692 Fe\n0.674989 0.695375 0.550308 Fe\n0.325011 0.195375 0.550308 Fe\n0.174989 0.695375 0.949692 Fe\n0.174989 0.804625 0.050308 Fe\n0.325011 0.304625 0.449692 Fe\n0.606595 0.662723 0.406421 Te\n0.893405 0.162723 0.093579 Te\n0.893405 0.337277 0.906421 Te\n0.606595 0.837277 0.593579 Te\n0.393405 0.337277 0.593579 Te\n0.106595 0.837277 0.906421 Te\n0.106595 0.662723 0.093579 Te\n0.393405 0.162723 0.406421 Te\n0.953858 0.845681 0.414225 Te\n0.546142 0.345681 0.085775 Te\n0.546142 0.154319 0.914225 Te\n0.953858 0.654319 0.585775 Te\n0.046142 0.154319 0.585775 Te\n0.453858 0.654319 0.914225 Te\n0.453858 0.845681 0.085775 Te\n0.046142 0.345681 0.414225 Te\n0.564583 0.623860 0.144401 Te\n0.935417 0.123860 0.355599 Te\n0.935417 0.376140 0.644401 Te\n0.564583 0.876140 0.855599 Te\n0.435417 0.376140 0.855599 Te\n0.064583 0.876140 0.644401 Te\n0.064583 0.623860 0.355599 Te\n0.435417 0.123860 0.144401 Te\n0.992221 0.892970 0.128368 Te\n0.507779 0.392970 0.371632 Te\n0.507779 0.107030 0.628368 Te\n0.992221 0.607030 0.871632 Te\n0.007779 0.107030 0.871632 Te\n0.492221 0.607030 0.628368 Te\n0.492221 0.892970 0.371632 Te\n0.007779 0.392970 0.128368 Te\n",
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"density": 3.829630316476626,
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"formula_full": "K28 Fe16 Te32",
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{
"id": "mp-683974",
"created_at": "2022-09-04T14:46:15.235167Z",
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O\n0.089578 0.896113 0.901414 O\n0.152084 0.956793 0.509735 O\n0.335308 0.802571 0.673542 O\n0.910422 0.103887 0.098586 O\n0.360042 0.114797 0.978472 O\n0.509179 0.662187 0.417148 O\n0.680606 0.426703 0.823512 O\n0.488512 0.901912 0.540241 O\n0.134856 0.947688 0.157034 O\n0.169679 0.992711 0.032791 O\n",
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