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{
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{
"id": "mp-997007",
"created_at": "2022-09-04T14:40:55.076867Z",
"structure_string": "Ag2 Pt2 O4\n1.0\n1.562494 5.406463 0.000000\n-1.562494 5.406463 0.000000\n0.000000 0.567691 6.504829\nAg Pt O\n2 2 4\ndirect\n0.639240 0.639240 0.551590 Ag\n0.360760 0.360760 0.448410 Ag\n0.115690 0.115690 0.056620 Pt\n0.884310 0.884310 0.943380 Pt\n0.683100 0.683100 0.872870 O\n0.431920 0.431920 0.752080 O\n0.568080 0.568080 0.247920 O\n0.316900 0.316900 0.127130 O\n",
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{
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"structure_string": "Fe4 Sb6 Pb2 O16\n1.0\n0.000205 0.000205 6.169964\n8.663193 -0.001173 0.000238\n-0.001173 8.663193 0.000238\nFe Sb Pb O\n4 6 2 16\ndirect\n0.750127 0.999478 0.499499 Fe\n0.250020 0.496730 0.996746 Fe\n0.750020 0.496746 0.996730 Fe\n0.250127 0.999499 0.499478 Fe\n0.000032 0.327110 0.670120 Sb\n0.500032 0.170120 0.827110 Sb\n0.499997 0.673852 0.667256 Sb\n0.999938 0.670906 0.327932 Sb\n0.499938 0.827932 0.170906 Sb\n0.999997 0.167256 0.173852 Sb\n0.499965 0.350978 0.348759 Pb\n0.999965 0.848759 0.850978 Pb\n0.749993 0.326133 0.826095 O\n0.261789 0.825126 0.672339 O\n0.761789 0.172339 0.325126 O\n0.249993 0.326095 0.826133 O\n0.738087 0.825197 0.672411 O\n0.238087 0.172411 0.325197 O\n0.250037 0.669380 0.169502 O\n0.750037 0.669502 0.169380 O\n0.499980 0.852734 0.393846 O\n0.999999 0.399010 0.128227 O\n0.499999 0.628227 0.899010 O\n0.999980 0.893846 0.352734 O\n0.500015 0.146557 0.602892 O\n0.000019 0.581859 0.879128 O\n0.500019 0.379128 0.081859 O\n0.000015 0.102892 0.646557 O\n",
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"formula_full": "Fe4 Sb6 Pb2 O16",
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"updated_at": "2021-11-28T01:35:04.396000Z",
"spacegroup": 40
},
{
"id": "mp-1198624",
"created_at": "2022-09-04T14:40:40.384637Z",
"structure_string": "Gd8 Co2 B26\n1.0\n7.378041 0.000000 0.000000\n0.000000 7.378041 0.000000\n0.000000 0.000000 6.998350\nGd Co B\n8 2 26\ndirect\n0.684728 0.181831 0.500000 Gd\n0.315272 0.818169 0.500000 Gd\n0.184728 0.318169 0.000000 Gd\n0.815272 0.681831 0.000000 Gd\n0.818169 0.684728 0.500000 Gd\n0.181831 0.315272 0.500000 Gd\n0.681831 0.184728 0.000000 Gd\n0.318169 0.815272 0.000000 Gd\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.908749 0.408749 0.250000 B\n0.091251 0.591251 0.250000 B\n0.408749 0.091251 0.750000 B\n0.591251 0.908749 0.750000 B\n0.591251 0.908749 0.250000 B\n0.408749 0.091251 0.250000 B\n0.908749 0.408749 0.750000 B\n0.091251 0.591251 0.750000 B\n0.539245 0.669152 0.245582 B\n0.460755 0.330848 0.245582 B\n0.039245 0.830848 0.745582 B\n0.960755 0.169152 0.745582 B\n0.330848 0.539245 0.245582 B\n0.669152 0.460755 0.245582 B\n0.169152 0.039245 0.745582 B\n0.830848 0.960755 0.745582 B\n0.460755 0.330848 0.754418 B\n0.539245 0.669152 0.754418 B\n0.960755 0.169152 0.254418 B\n0.039245 0.830848 0.254418 B\n0.669152 0.460755 0.754418 B\n0.330848 0.539245 0.754418 B\n0.830848 0.960755 0.254418 B\n0.169152 0.039245 0.254418 B\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "B-Co-Gd",
"density": 7.222396720058979,
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"formula_full": "Gd8 Co2 B26",
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"spacegroup": 128
},
{
"id": "mp-30039",
"created_at": "2022-09-04T14:40:40.390410Z",
"structure_string": "Na16 Al16 Sb24\n1.0\n7.302019 0.000000 0.000000\n0.000000 14.226669 0.000000\n0.000000 0.071681 15.551995\nNa Al Sb\n16 16 24\ndirect\n0.932171 0.560745 0.902579 Na\n0.567829 0.560745 0.402579 Na\n0.067829 0.439255 0.097421 Na\n0.432171 0.439255 0.597421 Na\n0.957954 0.079129 0.612679 Na\n0.457954 0.920871 0.887321 Na\n0.042046 0.920871 0.387321 Na\n0.542046 0.079129 0.112679 Na\n0.933053 0.351280 0.521222 Na\n0.433053 0.648720 0.978778 Na\n0.066947 0.648720 0.478778 Na\n0.566947 0.351280 0.021222 Na\n0.544894 0.864948 0.488075 Na\n0.044894 0.135052 0.011925 Na\n0.455106 0.135052 0.511925 Na\n0.955106 0.864948 0.988075 Na\n0.289639 0.312815 0.838488 Al\n0.229667 0.591987 0.238427 Al\n0.270333 0.591987 0.738427 Al\n0.770333 0.408013 0.761573 Al\n0.735318 0.188199 0.331257 Al\n0.235318 0.811801 0.168743 Al\n0.264682 0.811801 0.668743 Al\n0.764682 0.188199 0.831257 Al\n0.707781 0.905122 0.228688 Al\n0.207781 0.094878 0.271312 Al\n0.292219 0.094878 0.771312 Al\n0.792219 0.905122 0.728688 Al\n0.789639 0.687185 0.661512 Al\n0.210361 0.312815 0.338488 Al\n0.710361 0.687185 0.161512 Al\n0.729667 0.408013 0.261573 Al\n0.452963 0.157837 0.918655 Sb\n0.469251 0.971354 0.668318 Sb\n0.030749 0.971354 0.168318 Sb\n0.530749 0.028646 0.331682 Sb\n0.969251 0.028646 0.831682 Sb\n0.952963 0.842163 0.581345 Sb\n0.547037 0.842163 0.081345 Sb\n0.047037 0.157837 0.418655 Sb\n0.951662 0.337652 0.903509 Sb\n0.451662 0.662348 0.596491 Sb\n0.048338 0.662348 0.096491 Sb\n0.548338 0.337652 0.403509 Sb\n0.826092 0.249923 0.169381 Sb\n0.326092 0.750077 0.330619 Sb\n0.173908 0.750077 0.830619 Sb\n0.673908 0.249923 0.669381 Sb\n0.474155 0.478993 0.843432 Sb\n0.974155 0.521007 0.656568 Sb\n0.525845 0.521007 0.156568 Sb\n0.025845 0.478993 0.343432 Sb\n0.227334 0.253479 0.173348 Sb\n0.727334 0.746521 0.326652 Sb\n0.772666 0.746521 0.826652 Sb\n0.272666 0.253479 0.673348 Sb\n",
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"Al",
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],
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"density": 3.8253185757736983,
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"volume": 1615.5942316079086,
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"formula_full": "Na16 Al16 Sb24",
"formula_reduced": "Na2Al2Sb3",
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"spacegroup": 14
},
{
"id": "mp-1023484",
"created_at": "2022-09-04T14:40:40.391060Z",
"structure_string": "Mg12 Al2 Cu2\n1.0\n4.865108 0.000000 0.000000\n0.000000 6.177933 0.000000\n0.000000 0.000000 10.490708\nMg Al Cu\n12 2 2\ndirect\n0.000000 0.250013 0.584066 Mg\n0.000000 0.749987 0.584066 Mg\n0.500000 0.245047 0.412542 Mg\n0.500000 0.754953 0.412542 Mg\n0.500000 0.000000 0.669230 Mg\n0.500000 0.000000 0.172493 Mg\n0.000000 0.750013 0.084066 Mg\n0.000000 0.249987 0.084066 Mg\n0.500000 0.745047 0.912542 Mg\n0.500000 0.254953 0.912542 Mg\n0.500000 0.500000 0.169230 Mg\n0.500000 0.500000 0.672493 Mg\n0.000000 0.000000 0.832304 Al\n0.000000 0.500000 0.332304 Al\n0.000000 0.000000 0.332761 Cu\n0.000000 0.500000 0.832761 Cu\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.489476741744484,
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"volume": 315.3119850042777,
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"formula_full": "Mg12 Al2 Cu2",
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{
"id": "mp-560965",
"created_at": "2022-09-04T14:40:40.396828Z",
"structure_string": "K16 Mn4 As8 S32\n1.0\n8.731256 0.000000 0.000000\n0.000000 9.362612 0.000000\n0.000000 7.321309 20.651216\nK Mn As S\n16 4 8 32\ndirect\n0.880773 0.500000 0.250000 K\n0.613779 0.026279 0.364943 K\n0.895141 0.797446 0.834662 K\n0.884080 0.770476 0.016595 K\n0.591729 0.500000 0.750000 K\n0.119227 0.500000 0.750000 K\n0.104859 0.202554 0.165338 K\n0.613779 0.973721 0.135057 K\n0.884080 0.229524 0.483405 K\n0.115920 0.229524 0.983405 K\n0.408271 0.500000 0.250000 K\n0.104859 0.797446 0.334662 K\n0.386221 0.973721 0.635057 K\n0.386221 0.026279 0.864943 K\n0.115920 0.770476 0.516595 K\n0.895141 0.202554 0.665338 K\n0.370814 0.626647 0.042202 Mn\n0.629186 0.626647 0.542202 Mn\n0.370814 0.373353 0.457798 Mn\n0.629186 0.373353 0.957798 Mn\n0.663998 0.384660 0.111754 As\n0.192124 0.175477 0.375429 As\n0.192124 0.824523 0.124571 As\n0.663998 0.615340 0.388246 As\n0.807876 0.175477 0.875429 As\n0.807876 0.824523 0.624571 As\n0.336002 0.615340 0.888246 As\n0.336002 0.384660 0.611754 As\n0.305255 0.847712 0.208820 S\n0.152716 0.415460 0.367979 S\n0.344205 0.097499 0.460846 S\n0.344205 0.902501 0.039154 S\n0.166419 0.404918 0.535419 S\n0.262240 0.228286 0.704205 S\n0.655795 0.902501 0.539154 S\n0.847284 0.584540 0.632021 S\n0.152716 0.584540 0.132021 S\n0.166419 0.595082 0.964581 S\n0.453543 0.676223 0.430679 S\n0.737760 0.771714 0.295795 S\n0.546457 0.323777 0.569321 S\n0.262240 0.771714 0.795795 S\n0.606246 0.610030 0.116110 S\n0.694745 0.847712 0.708820 S\n0.847284 0.415460 0.867979 S\n0.019767 0.046825 0.891962 S\n0.019767 0.953175 0.608038 S\n0.393754 0.610030 0.616110 S\n0.655795 0.097499 0.960846 S\n0.737760 0.228286 0.204205 S\n0.606246 0.389970 0.383890 S\n0.833581 0.404918 0.035419 S\n0.980233 0.953175 0.108038 S\n0.453543 0.323777 0.069321 S\n0.393754 0.389970 0.883890 S\n0.305255 0.152288 0.291180 S\n0.833581 0.595082 0.464581 S\n0.694745 0.152288 0.791180 S\n0.980233 0.046825 0.391962 S\n0.546457 0.676223 0.930679 S\n",
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"formula_full": "K16 Mn4 As8 S32",
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{
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"structure_string": "Zr4 Nb4 Si4\n1.0\n-2.751887 -4.769837 0.000000\n-2.754936 4.771596 0.000000\n0.000000 0.000000 -8.367610\nZr Nb Si\n4 4 4\ndirect\n0.666336 0.333106 0.551335 Zr\n0.328393 0.664207 0.437928 Zr\n0.328393 0.664207 0.062072 Zr\n0.666336 0.333106 0.948665 Zr\n0.000559 0.000300 0.475733 Nb\n0.000559 0.000300 0.024267 Nb\n0.167659 0.336770 0.750000 Nb\n0.167690 0.830876 0.750000 Nb\n0.667257 0.833622 0.750000 Si\n0.815727 0.629276 0.250000 Si\n0.815719 0.186513 0.250000 Si\n0.375373 0.187719 0.250000 Si\n",
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"elements": [
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],
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{
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"structure_string": "Zn1 As4 H8 O16\n1.0\n5.630592 0.000000 0.000000\n-0.354602 7.451066 0.000000\n-0.877757 -0.958100 8.074317\nZn As H O\n1 4 8 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.079018 0.310946 0.744337 As\n0.444645 0.827960 0.795930 As\n0.555355 0.172040 0.204070 As\n0.920982 0.689054 0.255663 As\n0.017987 0.619161 0.774710 H\n0.277154 0.278374 0.510057 H\n0.373197 0.425919 0.310146 H\n0.352942 0.922514 0.272604 H\n0.647058 0.077486 0.727396 H\n0.626803 0.574081 0.689854 H\n0.722846 0.721626 0.489943 H\n0.982013 0.380839 0.225290 H\n0.160096 0.801993 0.839249 O\n0.117678 0.239830 0.537926 O\n0.095397 0.854411 0.195891 O\n0.089880 0.497120 0.263371 O\n0.341787 0.378846 0.871386 O\n0.493180 0.645644 0.645564 O\n0.478965 0.017107 0.692776 O\n0.329256 0.156220 0.040776 O\n0.670744 0.843780 0.959224 O\n0.521035 0.982893 0.307224 O\n0.506820 0.354356 0.354436 O\n0.658213 0.621154 0.128614 O\n0.910120 0.502880 0.736629 O\n0.904602 0.145589 0.804109 O\n0.882322 0.760170 0.462074 O\n0.839904 0.198007 0.160751 O\n",
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{
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"formula_full": "Li24 Mn7 Cr5 O36",
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{
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{
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"structure_string": "Sr1 Sm1 Fe4 O12\n1.0\n5.419432 0.000000 -0.000000\n0.000000 5.419432 0.000000\n0.000000 0.000000 7.667536\nSr Sm Fe O\n1 1 4 12\ndirect\n-0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sm\n-0.000000 0.500000 0.749216 Fe\n0.000000 0.500000 0.250784 Fe\n0.500000 0.000000 0.250784 Fe\n0.500000 -0.000000 0.749216 Fe\n0.256901 0.256901 0.240086 O\n0.256901 0.256901 0.759914 O\n0.743099 0.743099 0.759914 O\n0.743099 0.743099 0.240086 O\n0.743099 0.256901 0.759914 O\n0.743099 0.256901 0.240086 O\n0.256901 0.743099 0.759914 O\n0.256901 0.743099 0.240086 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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{
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}