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{
"id": "mp-667377",
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"structure_string": "Si56 O112\n1.0\n4.244734 -12.530545 0.000000\n4.244734 12.530545 0.000000\n0.000000 0.000000 29.206762\nSi O\n56 112\ndirect\n0.418355 0.957208 0.549722 Si\n0.840062 0.793927 0.606261 Si\n0.201780 0.426067 0.454068 Si\n0.042792 0.581645 0.549722 Si\n0.340062 0.293927 0.893739 Si\n0.918355 0.457208 0.950278 Si\n0.263847 0.107982 0.051001 Si\n0.641428 0.992490 0.605950 Si\n0.926067 0.701780 0.954068 Si\n0.392018 0.236153 0.448999 Si\n0.858572 0.507510 0.105950 Si\n0.962014 0.676390 0.200350 Si\n0.507510 0.858572 0.894050 Si\n0.194774 0.167005 0.200296 Si\n0.892018 0.736153 0.051001 Si\n0.537986 0.823610 0.700350 Si\n0.793927 0.840062 0.393739 Si\n0.107982 0.263847 0.948999 Si\n0.176390 0.462014 0.700350 Si\n0.805226 0.832995 0.799704 Si\n0.798220 0.573933 0.545932 Si\n0.206073 0.159938 0.606261 Si\n0.426067 0.201780 0.545932 Si\n0.659938 0.706073 0.106261 Si\n0.457208 0.918355 0.049722 Si\n0.823610 0.537986 0.299650 Si\n0.293927 0.340062 0.106261 Si\n0.706073 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O\n0.542226 0.882871 0.839166 O\n0.277388 0.133822 0.911104 O\n0.773508 0.800214 0.339378 O\n0.957774 0.617129 0.339166 O\n0.986438 0.458446 0.589779 O\n0.063038 0.936962 0.046453 O\n0.089997 0.410003 0.750000 O\n0.436962 0.563038 0.546453 O\n0.754850 0.693014 0.077737 O\n",
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"elements": [
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"density": 1.79830885388452,
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"volume": 3106.947021104082,
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"formula_full": "Si56 O112",
"formula_reduced": "SiO2",
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"updated_at": "2021-11-28T01:36:26.308000Z",
"spacegroup": 64
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{
"id": "mp-1074934",
"created_at": "2022-09-04T14:43:51.871002Z",
"structure_string": "Mg6 Si8\n1.0\n-6.306255 0.000000 0.000000\n-0.723839 -6.467975 0.000000\n2.305681 2.707245 6.519643\nMg Si\n6 8\ndirect\n0.860168 0.519046 0.391327 Mg\n0.458761 0.788333 0.523158 Mg\n0.553956 0.258998 0.920228 Mg\n0.737007 0.745412 0.928404 Mg\n0.950613 0.966811 0.402043 Mg\n0.138970 0.152522 0.151514 Mg\n0.963556 0.312813 0.789726 Si\n0.251069 0.734621 0.777803 Si\n0.095624 0.581350 0.139387 Si\n0.431525 0.716306 0.115787 Si\n0.899625 0.935531 0.739181 Si\n0.601639 0.361505 0.553464 Si\n0.232569 0.324282 0.599868 Si\n0.571559 0.102698 0.214802 Si\n",
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"elements": [
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"formula_full": "Mg6 Si8",
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"energy": -51.02237874,
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{
"id": "mp-504677",
"created_at": "2022-09-04T14:43:51.874503Z",
"structure_string": "Sr2 Pb2 F12\n1.0\n5.457346 0.000000 0.000000\n0.000000 5.457346 0.000000\n0.000000 0.000000 8.609990\nSr Pb F\n2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.750000 Pb\n0.500000 0.500000 0.250000 Pb\n0.230232 0.230232 0.250000 F\n0.230232 0.230232 0.750000 F\n0.230232 0.769768 0.750000 F\n0.500000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.230232 0.769768 0.250000 F\n0.769768 0.230232 0.750000 F\n0.769768 0.230232 0.250000 F\n0.769768 0.769768 0.750000 F\n0.769768 0.769768 0.250000 F\n",
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"elements": [
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"formula_full": "Sr2 Pb2 F12",
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{
"id": "mp-1023224",
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"structure_string": "Ca2 Hf2 Mg12\n1.0\n5.132000 0.000000 0.000000\n0.000000 6.759433 0.000000\n0.000000 0.000000 10.944548\nCa Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.396186 Ca\n0.000000 0.000000 0.896186 Ca\n0.500000 0.500000 0.099911 Hf\n0.500000 0.000000 0.599911 Hf\n0.000000 0.244508 0.153468 Mg\n0.000000 0.755492 0.153468 Mg\n0.000000 0.500000 0.920160 Mg\n0.500000 0.270030 0.842870 Mg\n0.500000 0.729970 0.842870 Mg\n0.500000 0.500000 0.591066 Mg\n0.000000 0.744508 0.653468 Mg\n0.000000 0.255492 0.653468 Mg\n0.000000 0.000000 0.420160 Mg\n0.500000 0.770030 0.342870 Mg\n0.500000 0.229970 0.342870 Mg\n0.500000 0.000000 0.091066 Mg\n",
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{
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"structure_string": "P8 H24 O24\n1.0\n6.970453 0.000000 0.000000\n0.000000 7.342012 0.000000\n0.000000 0.000000 12.252091\nP H O\n8 24 24\ndirect\n0.466998 0.037535 0.380094 P\n0.966998 0.462465 0.880094 P\n0.966998 0.962465 0.619906 P\n0.466998 0.537535 0.119906 P\n0.995208 0.502773 0.371099 P\n0.495208 0.497227 0.628901 P\n0.495208 0.997227 0.871099 P\n0.995208 0.002773 0.128901 P\n0.658656 0.459085 0.258615 H\n0.158656 0.540915 0.741385 H\n0.158656 0.040915 0.758615 H\n0.658656 0.959085 0.241385 H\n0.559488 0.702203 0.095019 H\n0.059488 0.297797 0.904981 H\n0.059488 0.797797 0.595019 H\n0.559488 0.202203 0.404981 H\n0.165557 0.074615 0.441052 H\n0.665557 0.925385 0.558948 H\n0.665557 0.425385 0.941052 H\n0.165557 0.574615 0.058948 H\n0.981588 0.310629 0.511968 H\n0.481588 0.689371 0.488032 H\n0.481588 0.189371 0.011968 H\n0.936356 0.784749 0.308589 H\n0.188030 0.968200 0.154224 H\n0.688030 0.031800 0.845776 H\n0.688030 0.531800 0.654224 H\n0.188030 0.468200 0.345776 H\n0.936356 0.284749 0.191411 H\n0.436356 0.715251 0.808589 H\n0.436356 0.215251 0.691411 H\n0.981588 0.810629 0.988032 H\n0.868511 0.407891 0.287339 O\n0.368511 0.592109 0.712661 O\n0.368511 0.092109 0.787339 O\n0.868511 0.907891 0.212661 O\n0.964978 0.213278 0.121445 O\n0.459986 0.555954 0.507662 O\n0.459986 0.055954 0.992338 O\n0.959986 0.944046 0.007662 O\n0.246922 0.074831 0.370970 O\n0.746922 0.925169 0.629030 O\n0.746922 0.425169 0.870970 O\n0.246922 0.574831 0.129030 O\n0.517854 0.986059 0.259770 O\n0.017854 0.013941 0.740230 O\n0.017854 0.513941 0.759770 O\n0.517854 0.486059 0.240230 O\n0.522969 0.897625 0.465635 O\n0.022969 0.102375 0.534365 O\n0.022969 0.602375 0.965635 O\n0.522969 0.397625 0.034365 O\n0.964978 0.713278 0.378555 O\n0.464978 0.286722 0.621445 O\n0.464978 0.786722 0.878555 O\n0.959986 0.444046 0.492338 O\n",
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{
"id": "mp-1074833",
"created_at": "2022-09-04T14:43:51.912118Z",
"structure_string": "Mg14 Si8\n1.0\n5.271583 0.000000 0.000000\n-0.189904 6.139177 0.000000\n-2.492454 -0.394568 13.626417\nMg Si\n14 8\ndirect\n0.939129 0.947405 0.834102 Mg\n0.139373 0.400526 0.754939 Mg\n0.608394 0.177100 0.624393 Mg\n0.589722 0.670450 0.654791 Mg\n0.025985 0.435089 0.989939 Mg\n0.832333 0.185510 0.443048 Mg\n0.271731 0.667742 0.233869 Mg\n0.787929 0.681385 0.392137 Mg\n0.499390 0.680551 0.918523 Mg\n0.493325 0.164914 0.967296 Mg\n0.029587 0.942632 0.057305 Mg\n0.401651 0.181021 0.236157 Mg\n0.310516 0.924172 0.445077 Mg\n0.329018 0.427758 0.434258 Mg\n0.564137 0.858420 0.113789 Si\n0.403299 0.990071 0.776054 Si\n0.661278 0.353354 0.806228 Si\n0.922228 0.361502 0.264841 Si\n0.650445 0.471995 0.113642 Si\n0.074837 0.952892 0.615647 Si\n0.065780 0.563037 0.572585 Si\n0.899940 0.969923 0.255090 Si\n",
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"elements": [
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{
"id": "mp-1216368",
"created_at": "2022-09-04T14:44:03.706791Z",
"structure_string": "V1 Cr1 Se2\n1.0\n-1.923349 -3.321430 0.002346\n-1.923349 3.321430 -0.002346\n0.000000 0.001632 -5.665390\nV Cr Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Cr\n0.666871 0.333129 0.755278 Se\n0.333129 0.666871 0.244722 Se\n",
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