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{
"id": "mp-680226",
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0.499697 0.367365 Ga\n0.000191 0.671749 0.457316 Ga\n0.338304 0.834795 0.970222 Ga\n0.321880 0.493619 0.473387 Ga\n0.000019 0.662227 0.867674 Ga\n0.165322 0.010839 0.976204 Ga\n0.834473 0.489263 0.866821 Ga\n0.328251 0.328441 0.457316 Ga\n0.826639 0.988300 0.870551 Ga\n0.171739 0.678120 0.473387 Ga\n0.345210 0.834473 0.366821 Ga\n0.161662 0.173361 0.870551 Ga\n0.499697 0.827644 0.867365 Ga\n0.662208 0.999981 0.867674 Ga\n0.493619 0.171739 0.973387 Ga\n0.828261 0.321880 0.973387 Ga\n0.165205 0.503509 0.970222 Ga\n0.165527 0.510737 0.366821 Ga\n0.661696 0.165205 0.470222 Ga\n0.654790 0.165527 0.866821 Ga\n0.506381 0.828261 0.473387 Ga\n0.503509 0.338304 0.470222 Ga\n0.999981 0.337773 0.367674 Ga\n0.328441 0.000191 0.957316 Ga\n0.011700 0.838338 0.870551 Ga\n0.154483 0.165322 0.476204 Ga\n0.010839 0.845517 0.476204 Ga\n0.500303 0.172356 0.367365 Ga\n0.496491 0.661696 0.970222 Ga\n0.327947 0.500303 0.867365 Ga\n0.989161 0.154483 0.976204 Ga\n0.678120 0.506381 0.973387 Ga\n0.838338 0.826639 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O\n0.666257 0.009950 0.661556 O\n0.435850 0.555782 0.475143 O\n0.939397 0.388287 0.420516 O\n0.947083 0.060199 0.464977 O\n0.865798 0.813283 0.173552 O\n0.782767 0.045816 0.409580 O\n0.225842 0.764288 0.990768 O\n0.278148 0.553330 0.384567 O\n0.713218 0.607890 0.880261 O\n",
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"volume": 2714.6111563601003,
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"formula_full": "Ba24 Ga48 O96",
"formula_reduced": "Ba(GaO2)2",
"formula_anonymous": "AB2C4",
"energy": -1105.20936606,
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"updated_at": "2021-11-28T01:34:26.376000Z",
"spacegroup": 173
},
{
"id": "mp-1096228",
"created_at": "2022-09-04T14:39:46.917744Z",
"structure_string": "Ti2 Fe1 Ru1\n1.0\n-4.445644 6.738930 9.417900\n4.445644 -6.738930 9.417900\n4.445644 6.738930 -9.417900\nTi Fe Ru\n2 1 1\ndirect\n0.000000 0.254206 0.254206 Ti\n0.000000 0.745794 0.745794 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ru\n",
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{
"id": "mp-1204242",
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"structure_string": "Np4 P8 H36 C8 N4 O44\n1.0\n9.684018 0.000000 0.000000\n0.000000 10.612370 0.000000\n0.000000 0.000000 11.291621\nNp P H C N O\n4 8 36 8 4 44\ndirect\n0.966291 0.429099 0.006421 Np\n0.033709 0.570901 0.506421 Np\n0.966291 0.070901 0.506421 Np\n0.033709 0.929099 0.006421 Np\n0.885093 0.347347 0.706810 P\n0.114907 0.652653 0.206810 P\n0.885093 0.152653 0.206810 P\n0.114907 0.847347 0.706810 P\n0.245727 0.214115 0.937570 P\n0.754273 0.785885 0.437570 P\n0.245727 0.285885 0.437570 P\n0.754273 0.714115 0.937570 P\n0.440818 0.285718 0.025602 H\n0.559182 0.714282 0.525602 H\n0.440818 0.214282 0.525602 H\n0.559182 0.785718 0.025602 H\n0.396357 0.553368 0.805668 H\n0.603643 0.446632 0.305668 H\n0.396357 0.946632 0.305668 H\n0.603643 0.053368 0.805668 H\n0.470507 0.590697 0.922825 H\n0.529493 0.409303 0.422825 H\n0.470507 0.909303 0.422825 H\n0.529493 0.090697 0.922825 H\n0.673295 0.399567 0.609404 H\n0.326705 0.600433 0.109404 H\n0.673295 0.100433 0.109404 H\n0.326705 0.899567 0.609404 H\n0.681383 0.459267 0.758509 H\n0.318617 0.540733 0.258509 H\n0.681383 0.040733 0.258509 H\n0.318617 0.959267 0.758509 H\n0.647439 0.297357 0.735502 H\n0.352561 0.702643 0.235502 H\n0.647439 0.202643 0.235502 H\n0.352561 0.797357 0.735502 H\n0.171140 0.266176 0.740807 H\n0.828860 0.733824 0.240807 H\n0.171140 0.233824 0.240807 H\n0.828860 0.766176 0.740807 H\n0.329406 0.180250 0.742898 H\n0.670594 0.819750 0.242898 H\n0.329406 0.319750 0.242898 H\n0.670594 0.680250 0.742898 H\n0.328487 0.343856 0.782090 H\n0.671513 0.656144 0.282090 H\n0.328487 0.156144 0.282090 H\n0.671513 0.843856 0.782090 H\n0.704250 0.378815 0.700849 C\n0.295750 0.621185 0.200849 C\n0.704250 0.121185 0.200849 C\n0.295750 0.878815 0.700849 C\n0.270241 0.255413 0.786145 C\n0.729759 0.744587 0.286145 C\n0.270241 0.244587 0.286145 C\n0.729759 0.755413 0.786145 C\n0.655989 0.399891 0.081534 N\n0.344011 0.600109 0.581534 N\n0.655989 0.100109 0.581534 N\n0.344011 0.899891 0.081534 N\n0.964916 0.465826 0.659745 O\n0.035084 0.534174 0.159745 O\n0.964916 0.034174 0.159745 O\n0.035084 0.965826 0.659745 O\n0.924165 0.230267 0.633392 O\n0.075835 0.769733 0.133392 O\n0.924165 0.269733 0.133392 O\n0.075835 0.730267 0.633392 O\n0.926683 0.328486 0.838805 O\n0.073317 0.671514 0.338805 O\n0.926683 0.171514 0.338805 O\n0.073317 0.828486 0.838805 O\n0.394541 0.206393 0.996000 O\n0.605459 0.793607 0.496000 O\n0.394541 0.293607 0.496000 O\n0.605459 0.706393 0.996000 O\n0.184532 0.080926 0.945013 O\n0.815468 0.919074 0.445013 O\n0.184532 0.419074 0.445013 O\n0.815468 0.580926 0.945013 O\n0.158300 0.312071 0.004866 O\n0.841700 0.687929 0.504866 O\n0.158300 0.187929 0.504866 O\n0.841700 0.812071 0.004866 O\n0.530888 0.388601 0.110838 O\n0.469112 0.611399 0.610838 O\n0.530888 0.111399 0.610838 O\n0.469112 0.888601 0.110838 O\n0.703465 0.346679 0.989560 O\n0.296535 0.653321 0.489560 O\n0.703465 0.153321 0.489560 O\n0.296535 0.846679 0.989560 O\n0.738234 0.463430 0.145752 O\n0.261766 0.536570 0.645752 O\n0.738234 0.036570 0.645752 O\n0.261766 0.963430 0.145752 O\n0.077948 0.533144 0.923698 O\n0.922052 0.466856 0.423698 O\n0.077948 0.966856 0.423698 O\n0.922052 0.033144 0.923698 O\n0.411408 0.526095 0.887045 O\n0.588592 0.473905 0.387045 O\n0.411408 0.973905 0.387045 O\n0.588592 0.026095 0.887045 O\n",
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{
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"structure_string": "K1 Mg14 Si1 O16\n1.0\n8.675820 0.000000 0.000000\n0.000000 8.488588 0.000000\n0.000000 0.000000 4.423495\nK Mg Si O\n1 14 1 16\ndirect\n0.000000 -0.000000 -0.000000 K\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.248050 0.500000 Mg\n0.000000 0.751950 0.500000 Mg\n0.500000 0.248261 0.500000 Mg\n0.500000 0.751739 0.500000 Mg\n0.252233 -0.000000 0.500000 Mg\n0.251205 0.500000 0.500000 Mg\n0.747767 -0.000000 0.500000 Mg\n0.748795 0.500000 0.500000 Mg\n0.256305 0.247797 0.000000 Mg\n0.256305 0.752203 0.000000 Mg\n0.743695 0.247797 -0.000000 Mg\n0.743695 0.752203 -0.000000 Mg\n0.000000 0.500000 -0.000000 Si\n0.274304 -0.000000 -0.000000 O\n0.243872 0.500000 -0.000000 O\n0.725696 -0.000000 -0.000000 O\n0.756128 0.500000 -0.000000 O\n0.248322 0.250887 0.500000 O\n0.248322 0.749113 0.500000 O\n0.751678 0.250887 0.500000 O\n0.751678 0.749113 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.290159 -0.000000 O\n0.000000 0.709841 -0.000000 O\n0.500000 0.256982 -0.000000 O\n0.500000 0.743018 -0.000000 O\n",
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{
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{
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}