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{
"id": "mp-643788",
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"structure_string": "Na2 Sn1 H6 O6\n1.0\n4.924675 -3.311951 0.000000\n4.924675 3.311951 0.000000\n2.697316 0.000000 5.286391\nNa Sn H O\n2 1 6 6\ndirect\n0.617243 0.617243 0.617243 Na\n0.382757 0.382757 0.382757 Na\n0.000000 0.000000 0.000000 Sn\n0.088563 0.834946 0.453164 H\n0.453164 0.088563 0.834946 H\n0.834946 0.453164 0.088563 H\n0.911437 0.165054 0.546836 H\n0.546836 0.911437 0.165054 H\n0.165054 0.546836 0.911437 H\n0.291898 0.174838 0.793964 O\n0.793964 0.291898 0.174838 O\n0.174838 0.793964 0.291898 O\n0.708102 0.825162 0.206036 O\n0.206036 0.708102 0.825162 O\n0.825162 0.206036 0.708102 O\n",
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{
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"formula_full": "Fe2 P2 H4 O10",
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"updated_at": "2021-11-28T01:35:42.010000Z",
"spacegroup": 15
},
{
"id": "mp-1038759",
"created_at": "2022-09-04T14:42:07.400210Z",
"structure_string": "Mg8 Bi4\n1.0\n5.285110 0.000000 0.000000\n0.000000 3.404985 0.000000\n0.000000 0.000000 17.360347\nMg Bi\n8 4\ndirect\n0.000000 0.000000 0.005920 Mg\n0.000000 0.500000 0.162664 Mg\n-0.000000 0.000000 0.330958 Mg\n0.500000 0.500000 0.055533 Mg\n0.000000 0.500000 0.505920 Mg\n0.000000 0.000000 0.662664 Mg\n-0.000000 0.500000 0.830959 Mg\n0.500000 0.000000 0.555533 Mg\n0.500000 0.500000 0.402883 Bi\n0.500000 0.000000 0.208708 Bi\n0.500000 0.000000 0.902883 Bi\n0.500000 0.500000 0.708708 Bi\n",
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],
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},
{
"id": "mp-1195296",
"created_at": "2022-09-04T14:42:07.403997Z",
"structure_string": "K4 Sb4 S8 O32\n1.0\n7.424026 0.000000 0.000000\n0.000000 9.031157 0.000000\n0.000000 0.343602 10.923837\nK Sb S O\n4 4 8 32\ndirect\n0.667363 0.316707 0.887420 K\n0.167363 0.183293 0.112580 K\n0.332637 0.683293 0.112580 K\n0.832637 0.816707 0.887420 K\n0.714742 0.796066 0.368352 Sb\n0.214742 0.703934 0.631648 Sb\n0.285258 0.203934 0.631648 Sb\n0.785258 0.296066 0.368352 Sb\n0.700541 0.077660 0.617375 S\n0.200541 0.422340 0.382625 S\n0.299459 0.922340 0.382625 S\n0.799459 0.577660 0.617375 S\n0.694325 0.068606 0.147421 S\n0.194325 0.431394 0.852579 S\n0.305675 0.931394 0.852579 S\n0.805675 0.568606 0.147421 S\n0.805635 0.083608 0.728926 O\n0.305635 0.416392 0.271074 O\n0.194365 0.916392 0.271074 O\n0.694365 0.583608 0.728926 O\n0.608555 0.937677 0.597964 O\n0.108555 0.562323 0.402036 O\n0.391445 0.062323 0.402036 O\n0.891445 0.437677 0.597964 O\n0.817270 0.117478 0.506669 O\n0.317270 0.382522 0.493331 O\n0.182730 0.882522 0.493331 O\n0.682730 0.617478 0.506669 O\n0.561174 0.209326 0.618597 O\n0.061174 0.290674 0.381403 O\n0.438826 0.790674 0.381403 O\n0.938826 0.709326 0.618597 O\n0.541254 0.167996 0.134575 O\n0.041254 0.332004 0.865425 O\n0.458746 0.832004 0.865425 O\n0.958746 0.667996 0.134575 O\n0.812344 0.067392 0.040668 O\n0.312344 0.432608 0.959332 O\n0.187656 0.932608 0.959332 O\n0.687656 0.567392 0.040668 O\n0.637802 0.912792 0.184663 O\n0.137802 0.587208 0.815337 O\n0.362198 0.087208 0.815337 O\n0.862198 0.412792 0.184663 O\n0.815102 0.115207 0.258746 O\n0.315102 0.384793 0.741254 O\n0.184898 0.884793 0.741254 O\n0.684898 0.615207 0.258746 O\n",
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"elements": [
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"density": 3.2011454400686317,
"density_atomic": 0.06553648577903758,
"volume": 732.4164460364341,
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"formula_full": "K4 Sb4 S8 O32",
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"spacegroup": 14
},
{
"id": "mp-1215319",
"created_at": "2022-09-04T14:42:07.406950Z",
"structure_string": "Zr1 Al1 Fe4\n1.0\n0.000000 3.383933 3.383933\n3.383933 0.000000 3.383933\n3.383933 3.383933 0.000000\nZr Al Fe\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Al\n0.376074 0.376074 0.376074 Fe\n0.376074 0.871777 0.376074 Fe\n0.871777 0.376074 0.376074 Fe\n0.376074 0.376074 0.871777 Fe\n",
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],
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{
"id": "mp-705037",
"created_at": "2022-09-04T14:42:07.407819Z",
"structure_string": "Na32 V8 P16 O72\n1.0\n7.089104 0.000000 0.000000\n0.000000 14.670307 0.000000\n0.000000 0.000000 16.208301\nNa V P O\n32 8 16 72\ndirect\n0.003362 0.138712 0.618419 Na\n0.269165 0.494327 0.995524 Na\n0.255896 0.245333 0.474540 Na\n0.769165 0.005673 0.995524 Na\n0.996638 0.861288 0.381581 Na\n0.503362 0.361288 0.618419 Na\n0.755896 0.254667 0.474540 Na\n0.230835 0.994327 0.004476 Na\n0.269165 0.994327 0.504476 Na\n0.314606 0.524260 0.224880 Na\n0.685394 0.475740 0.775120 Na\n0.744104 0.254667 0.974540 Na\n0.730835 0.505673 0.004476 Na\n0.185394 0.524260 0.724880 Na\n0.755896 0.754667 0.025460 Na\n0.996638 0.361288 0.118419 Na\n0.255896 0.745333 0.025460 Na\n0.185394 0.024260 0.775120 Na\n0.314606 0.024260 0.275120 Na\n0.230835 0.494327 0.495524 Na\n0.814606 0.475740 0.275120 Na\n0.496638 0.138712 0.118419 Na\n0.244104 0.745333 0.525460 Na\n0.496638 0.638712 0.381581 Na\n0.814606 0.975740 0.224880 Na\n0.744104 0.754667 0.525460 Na\n0.244104 0.245333 0.974540 Na\n0.769165 0.505673 0.504476 Na\n0.685394 0.975740 0.724880 Na\n0.730835 0.005673 0.495524 Na\n0.003362 0.638712 0.881581 Na\n0.503362 0.861288 0.881581 Na\n0.275550 0.758655 0.733913 V\n0.724450 0.241345 0.266087 V\n0.775550 0.741345 0.733913 V\n0.275550 0.258655 0.766087 V\n0.224450 0.258655 0.266087 V\n0.775550 0.241345 0.766087 V\n0.224450 0.758655 0.233913 V\n0.724450 0.741345 0.233913 V\n0.998948 0.638883 0.372728 P\n0.498948 0.861117 0.372728 P\n0.498239 0.608046 0.619352 P\n0.501052 0.638883 0.872728 P\n0.998948 0.138883 0.127272 P\n0.998239 0.891954 0.619352 P\n0.501761 0.391954 0.380648 P\n0.001761 0.108046 0.380648 P\n0.001052 0.861117 0.872728 P\n0.501052 0.138883 0.627272 P\n0.498948 0.361117 0.127272 P\n0.001052 0.361117 0.627272 P\n0.498239 0.108046 0.880648 P\n0.501761 0.891954 0.119352 P\n0.998239 0.391954 0.880648 P\n0.001761 0.608046 0.119352 P\n0.679749 0.663678 0.641930 O\n0.819160 0.836543 0.646859 O\n0.820251 0.163678 0.358070 O\n0.681023 0.342216 0.180324 O\n0.181023 0.657784 0.319676 O\n0.681015 0.150665 0.683308 O\n0.319160 0.663457 0.646859 O\n0.003925 0.201560 0.761252 O\n0.180840 0.663457 0.146859 O\n0.991231 0.207332 0.055218 O\n0.496075 0.201560 0.261252 O\n0.504089 0.986058 0.160204 O\n0.996075 0.798440 0.238748 O\n0.008282 0.102181 0.475933 O\n0.680840 0.336543 0.353141 O\n0.318977 0.157784 0.680324 O\n0.818977 0.842216 0.819676 O\n0.508282 0.897819 0.024067 O\n0.996075 0.298440 0.261252 O\n0.504089 0.486058 0.339796 O\n0.320251 0.836322 0.141930 O\n0.495911 0.013942 0.839796 O\n0.503925 0.798440 0.738748 O\n0.819160 0.336543 0.853141 O\n0.495911 0.513942 0.660204 O\n0.500292 0.539144 0.901592 O\n0.181015 0.349335 0.683308 O\n0.491718 0.102181 0.975933 O\n0.318985 0.349335 0.183308 O\n0.179749 0.836322 0.641930 O\n0.318977 0.657784 0.819676 O\n0.180840 0.163457 0.353141 O\n0.818985 0.650665 0.316692 O\n0.179749 0.336322 0.858070 O\n0.181015 0.849335 0.816692 O\n0.320251 0.336322 0.358070 O\n0.820251 0.663678 0.141930 O\n0.818985 0.150665 0.183308 O\n0.008769 0.292668 0.555218 O\n0.491231 0.792668 0.444782 O\n0.991718 0.397819 0.975933 O\n0.319160 0.163457 0.853141 O\n0.008282 0.602181 0.024067 O\n0.995911 0.986058 0.660204 O\n0.503925 0.298440 0.761252 O\n0.500292 0.039144 0.598408 O\n0.991231 0.707332 0.444782 O\n0.679749 0.163678 0.858070 O\n0.508282 0.397819 0.475933 O\n0.680840 0.836543 0.146859 O\n0.681023 0.842216 0.319676 O\n0.818977 0.342216 0.680324 O\n0.999708 0.539144 0.401592 O\n0.008769 0.792668 0.944782 O\n0.000292 0.960856 0.901592 O\n0.004089 0.513942 0.160204 O\n0.181023 0.157784 0.180324 O\n0.499708 0.960856 0.401592 O\n0.496075 0.701560 0.238748 O\n0.004089 0.013942 0.339796 O\n0.003925 0.701560 0.738748 O\n0.318985 0.849335 0.316692 O\n0.999708 0.039144 0.098408 O\n0.499708 0.460856 0.098408 O\n0.681015 0.650665 0.816692 O\n0.508769 0.707332 0.944782 O\n0.991718 0.897819 0.524067 O\n0.508769 0.207332 0.555218 O\n0.491718 0.602181 0.524067 O\n0.491231 0.292668 0.055218 O\n0.000292 0.460856 0.598408 O\n0.995911 0.486058 0.839796 O\n",
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{
"id": "mp-1018825",
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"structure_string": "Nd2 Pb2 Au2\n1.0\n2.447266 -4.238789 0.000000\n2.447266 4.238789 0.000000\n0.000000 0.000000 7.706637\nNd Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
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{
"id": "mp-1291817",
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"structure_string": "Li8 Fe6 Co2 O16\n1.0\n0.007681 -3.078739 5.042190\n8.643531 5.625433 -0.002895\n-1.742348 5.695188 0.023986\nLi Fe Co O\n8 6 2 16\ndirect\n0.757190 0.252449 0.254408 Li\n0.243171 0.747523 0.745956 Li\n0.754586 0.750092 0.255737 Li\n0.245004 0.249896 0.743778 Li\n0.755221 0.751111 0.750596 Li\n0.244608 0.248915 0.249308 Li\n0.749237 0.247853 0.749876 Li\n0.250838 0.752166 0.249957 Li\n0.499687 0.000046 0.500245 Fe\n0.999922 0.500144 0.500044 Fe\n0.500123 0.500061 0.999720 Fe\n0.999898 0.499883 0.999831 Fe\n0.500662 0.999822 0.000829 Fe\n0.000490 0.000007 0.500202 Fe\n0.999955 0.000106 0.999760 Co\n0.499618 0.500099 0.499426 Co\n0.625788 0.885284 0.366765 O\n0.128405 0.385888 0.867151 O\n0.871651 0.614205 0.132798 O\n0.374220 0.114783 0.633539 O\n0.621506 0.388444 0.373863 O\n0.123768 0.888616 0.874777 O\n0.629800 0.383970 0.875753 O\n0.138868 0.881436 0.392222 O\n0.647348 0.890029 0.877189 O\n0.123111 0.385062 0.367346 O\n0.876447 0.111218 0.125631 O\n0.378644 0.611629 0.625925 O\n0.860992 0.118324 0.607803 O\n0.370133 0.615709 0.123867 O\n0.876648 0.615182 0.632947 O\n0.352461 0.110043 0.122756 O\n",
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