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{
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{
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"updated_at": "2022-09-04T14:35:57.012966Z",
"structure_string": "P4 W2 O16\n1.0\n4.918943 0.000000 -1.673803\n-0.491085 6.797925 -1.443191\n0.038258 0.006007 8.177187\nP W O\n4 2 16\ndirect\n0.659457 0.613724 0.318916 P\n0.662648 0.046369 0.325296 P\n0.340542 0.386276 0.681085 P\n0.337351 0.953631 0.674704 P\n0.900230 0.705581 0.800462 W\n0.099769 0.294419 0.199538 W\n0.240953 0.881050 0.481909 O\n0.851532 0.501209 0.229034 O\n0.757600 0.640611 0.515203 O\n0.242399 0.359389 0.484797 O\n0.013088 0.754038 0.026177 O\n0.759045 0.118950 0.518092 O\n0.623519 0.892211 0.777850 O\n0.377501 0.501209 0.229034 O\n0.148467 0.498791 0.770966 O\n0.622498 0.498791 0.770966 O\n0.845670 0.107789 0.222150 O\n0.373248 0.187547 0.746497 O\n0.154329 0.892211 0.777850 O\n0.376480 0.107789 0.222150 O\n0.626751 0.812453 0.253504 O\n-0.013089 0.245961 -0.026177 O\n",
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"structure_string": "Li2 Co2 Si2 O8\n1.0\n1.727488 4.398083 2.370389\n6.884505 -3.757771 2.370389\n1.727488 4.398083 -2.370389\nLi Co Si O\n2 2 2 8\ndirect\n0.779175 0.131071 0.576222 Li\n-0.054849 0.631071 0.910247 Li\n0.294755 0.492997 0.034480 Co\n0.041483 0.992998 0.787753 Co\n0.431513 0.253394 0.358317 Si\n0.604925 0.753394 0.684905 Si\n0.458024 0.300459 0.056449 O\n0.786448 0.154008 0.220305 O\n0.181851 0.123077 0.500392 O\n0.295517 0.430097 0.663971 O\n0.255991 0.800459 0.758483 O\n0.566297 0.654009 0.940456 O\n0.877316 0.623077 0.304928 O\n0.733874 0.930098 0.725614 O\n",
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{
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"structure_string": "Al1 Fe2\n1.0\n2.053728 -3.557161 0.000000\n2.053728 3.557161 0.000000\n0.000000 0.000000 2.556680\nAl Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666668 0.333334 0.500000 Fe\n0.333334 0.666668 0.500000 Fe\n",
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{
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"structure_string": "Sr2 Ge2 P4 O16\n1.0\n-0.000000 -5.127950 0.000000\n-7.363408 2.563976 3.453617\n0.003268 0.000000 -7.916021\nSr Ge P O\n2 2 4 16\ndirect\n0.801290 -0.000000 0.250000 Sr\n0.198710 -0.000000 0.750000 Sr\n-0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 -0.000000 Ge\n0.594527 0.707276 0.736503 P\n0.887252 0.292724 0.763496 P\n0.405472 0.292724 0.263496 P\n0.112748 0.707276 0.236503 P\n0.824065 0.103014 0.608842 O\n0.721051 0.896986 0.891158 O\n0.039924 0.548245 0.292090 O\n0.491679 0.451755 0.207909 O\n0.960076 0.451755 0.707909 O\n0.508320 0.548245 0.792090 O\n0.372433 0.701885 0.131307 O\n0.865409 0.673874 0.095203 O\n0.627566 0.298115 0.868693 O\n0.329450 0.701885 0.631307 O\n0.278949 0.103014 0.108842 O\n0.191536 0.326126 0.404797 O\n0.134590 0.326126 0.904796 O\n0.808463 0.673874 0.595203 O\n0.670549 0.298115 0.368693 O\n0.175934 0.896986 0.391158 O\n",
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{
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"created_at": "2022-09-04T14:37:07.703789Z",
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"structure_string": "Zn4 Bi2 W2 O12\n1.0\n0.000000 5.485251 -0.100533\n5.520271 0.000000 0.000000\n0.000000 -5.114766 -8.131348\nZn Bi W O\n4 2 2 12\ndirect\n0.288443 0.988251 0.256532 Zn\n0.711556 0.488251 0.243468 Zn\n0.711556 0.011749 0.743468 Zn\n0.288443 0.511749 0.756532 Zn\n0.500000 0.000000 -0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.666402 0.133552 0.285757 O\n0.333597 0.633552 0.214243 O\n0.739853 0.633470 0.059411 O\n0.260146 0.133470 0.440589 O\n0.260145 0.366530 0.940589 O\n0.980469 0.196923 0.096061 O\n0.019530 0.803077 0.903939 O\n0.980469 0.303077 0.596061 O\n0.333597 0.866448 0.714243 O\n0.019530 0.696922 0.403939 O\n0.739853 0.866530 0.559411 O\n0.666402 0.366448 0.785757 O\n",
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"structure_string": "Na4 Ga2 Ni2 F14\n1.0\n6.229914 -0.000000 3.535107\n2.145124 6.029702 3.476688\n-0.014883 -0.005197 7.283267\nNa Ga Ni F\n4 2 2 14\ndirect\n0.499999 0.500000 0.000001 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500001 Na\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500001 Ga\n0.000000 -0.000000 0.500000 Ni\n0.500000 -0.000000 0.500001 Ni\n0.814955 0.945906 0.822643 F\n0.410727 0.318638 0.859909 F\n0.416496 0.945906 0.822643 F\n0.250000 0.888019 0.611981 F\n0.685044 0.677358 0.554095 F\n0.583503 0.054094 0.177359 F\n0.185044 0.054094 0.177359 F\n0.910727 0.359907 0.818640 F\n0.083503 0.677358 0.554094 F\n0.916496 0.322641 0.445907 F\n0.589272 0.681361 0.140093 F\n0.750000 0.111980 0.388021 F\n0.314956 0.322641 0.445907 F\n0.089273 0.640092 0.181362 F\n",
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"structure_string": "Nd4 Al4 Ge8 O28\n1.0\n6.605615 0.000000 0.000000\n0.000000 7.232426 -0.856276\n0.000000 0.022752 11.467283\nNd Al Ge O\n4 4 8 28\ndirect\n0.351797 0.261570 0.025765 Nd\n0.148203 0.761570 0.525765 Nd\n0.851796 0.238430 0.474235 Nd\n0.648203 0.738430 0.974234 Nd\n0.601733 0.017017 0.229876 Al\n0.398266 0.982984 0.770123 Al\n0.101734 0.482983 0.270123 Al\n0.898266 0.517017 0.729876 Al\n0.410806 0.419494 0.720554 Ge\n0.342361 0.241495 0.451283 Ge\n0.157639 0.741496 0.951283 Ge\n0.589194 0.580506 0.279445 Ge\n0.089194 0.919495 0.220554 Ge\n0.910805 0.080506 0.779445 Ge\n0.657638 0.758505 0.548716 Ge\n0.842361 0.258505 0.048716 Ge\n0.659657 0.088415 0.084085 O\n0.551662 0.160590 0.365014 O\n0.051663 0.339410 0.134985 O\n0.448337 0.839410 0.634985 O\n0.948337 0.660590 0.865014 O\n0.159658 0.411585 0.415915 O\n0.379374 0.230442 0.803622 O\n0.500364 0.326189 0.573736 O\n0.879374 0.269558 0.696377 O\n0.620625 0.769558 0.196377 O\n0.120625 0.730443 0.303622 O\n0.181674 0.528455 0.686613 O\n0.681674 0.971546 0.813386 O\n0.818325 0.471545 0.313386 O\n0.318325 0.028455 0.186613 O\n0.617802 0.555674 0.777238 O\n0.340342 0.911585 0.915915 O\n0.117802 0.944326 0.722762 O\n0.882197 0.055674 0.277238 O\n0.173683 0.068556 0.475968 O\n0.673682 0.431444 0.024032 O\n0.826317 0.931444 0.524031 O\n0.326317 0.568556 0.975968 O\n-0.000364 0.826189 0.073736 O\n0.499635 0.673811 0.426264 O\n0.000364 0.173811 0.926264 O\n0.382198 0.444326 0.222762 O\n0.840341 0.588416 0.584084 O\n",
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"formula_reduced": "Zr(Ni2P)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2378550142857145,
"spacegroup": 136
}
]
}