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"structure_string": "Co4 H48 C8 Br16 N8\n1.0\n8.204433 0.000000 0.000000\n0.000000 13.409305 0.000000\n-1.286944 0.000000 11.527408\nCo H C Br N\n4 48 8 16 8\ndirect\n0.732415 0.937755 0.271565 Co\n0.267585 0.437755 0.228435 Co\n0.267585 0.062245 0.728435 Co\n0.732415 0.562245 0.771565 Co\n0.279576 0.723718 0.039101 H\n0.720424 0.223718 0.460899 H\n0.720424 0.276282 0.960899 H\n0.279576 0.776282 0.539101 H\n0.284313 0.800476 0.923671 H\n0.715687 0.300476 0.576329 H\n0.715687 0.199524 0.076329 H\n0.284313 0.699524 0.423671 H\n0.418258 0.816146 0.042184 H\n0.581742 0.316146 0.457816 H\n0.581742 0.183854 0.957816 H\n0.418258 0.683854 0.542184 H\n0.800978 0.837154 0.583375 H\n0.199022 0.337154 0.916625 H\n0.199022 0.162846 0.416625 H\n0.800978 0.662846 0.083375 H\n0.674364 0.933781 0.582706 H\n0.325636 0.433781 0.917294 H\n0.325636 0.066219 0.417294 H\n0.674364 0.566219 0.082706 H\n0.874651 0.951389 0.619557 H\n0.125349 0.451389 0.880443 H\n0.125349 0.048611 0.380443 H\n0.874651 0.548611 0.119557 H\n0.806000 0.358771 0.343364 H\n0.194000 0.858771 0.156636 H\n0.194000 0.641229 0.656636 H\n0.806000 0.141229 0.843364 H\n0.797782 0.440278 0.466384 H\n0.202218 0.940278 0.033616 H\n0.202218 0.559722 0.533616 H\n0.797782 0.059722 0.966384 H\n0.946470 0.341936 0.471245 H\n0.053530 0.841936 0.028755 H\n0.053530 0.658064 0.528755 H\n0.946470 0.158064 0.971245 H\n0.861705 0.838606 0.789105 H\n0.138295 0.338606 0.710895 H\n0.138295 0.161394 0.210895 H\n0.861705 0.661394 0.289105 H\n0.748897 0.953149 0.794726 H\n0.251103 0.453149 0.705274 H\n0.251103 0.046851 0.205274 H\n0.748897 0.546851 0.294726 H\n0.643079 0.839861 0.754171 H\n0.356921 0.339861 0.745829 H\n0.356921 0.160139 0.245829 H\n0.643079 0.660139 0.254171 H\n0.821834 0.364362 0.438078 C\n0.178166 0.864362 0.061922 C\n0.178166 0.635638 0.561922 C\n0.821834 0.135638 0.938078 C\n0.756620 0.881841 0.750375 C\n0.243380 0.381841 0.749625 C\n0.243380 0.118159 0.249625 C\n0.756620 0.618159 0.250375 C\n0.985758 0.880258 0.374080 Br\n0.014242 0.380258 0.125920 Br\n0.014242 0.119742 0.625920 Br\n0.985758 0.619742 0.874080 Br\n0.692463 0.865437 0.079693 Br\n0.307537 0.365437 0.420307 Br\n0.307537 0.134563 0.920307 Br\n0.692463 0.634563 0.579693 Br\n0.755231 0.117294 0.266663 Br\n0.244769 0.617294 0.233337 Br\n0.244769 0.882706 0.733337 Br\n0.755231 0.382706 0.766663 Br\n0.504035 0.892042 0.372295 Br\n0.495965 0.392042 0.127705 Br\n0.495965 0.107958 0.627705 Br\n0.504035 0.607958 0.872295 Br\n0.296993 0.796343 0.013907 N\n0.703007 0.296343 0.486093 N\n0.703007 0.203657 0.986093 N\n0.296993 0.703657 0.513907 N\n0.778411 0.902026 0.626712 N\n0.221589 0.402026 0.873288 N\n0.221589 0.097974 0.373288 N\n0.778411 0.597974 0.126712 N\n",
"nsites": 84,
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"elements": [
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],
"chemical_system": "Br-C-Co-H-N",
"density": 2.3185249412235853,
"density_atomic": 0.06623579897327025,
"volume": 1268.1963726881074,
"volume_molar": 9.091972699582383,
"formula_full": "Co4 H48 C8 Br16 N8",
"formula_reduced": "CoH12C2(Br2N)2",
"formula_anonymous": "AB2C2D4E12",
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"formation_energy": null,
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"energy_uncorrected": -390.45024915,
"band_gap": 1.0579,
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"total_magnetization": 12.8580077,
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"updated_at": "2021-11-28T01:35:34.329000Z",
"spacegroup": 14
},
{
"id": "mp-1199876",
"created_at": "2022-09-04T14:41:53.112836Z",
"structure_string": "K4 Al4 Si6 O24\n1.0\n0.000000 9.483192 9.614306\n3.383006 0.000000 9.614306\n3.383006 9.483192 0.000000\nK Al Si O\n4 4 6 24\ndirect\n0.854904 0.608978 0.113629 K\n0.422489 0.113629 0.608978 K\n0.136371 0.827511 0.395096 K\n0.641022 0.395096 0.827511 K\n0.250186 0.572439 0.663908 Al\n0.513467 0.663908 0.572439 Al\n0.586092 0.736533 0.999814 Al\n0.677561 0.999814 0.736533 Al\n0.240768 0.259232 0.259232 Si\n0.990768 0.009232 0.009232 Si\n0.577484 0.512512 0.242371 Si\n0.667634 0.242371 0.512512 Si\n0.007629 0.582366 0.672516 Si\n0.737488 0.672516 0.582366 Si\n0.349490 0.025086 0.206661 O\n0.418763 0.206661 0.025086 O\n0.043339 0.831237 0.900510 O\n0.224914 0.900510 0.831237 O\n0.131241 0.523343 0.708480 O\n0.636935 0.708480 0.523343 O\n0.541520 0.613065 0.118759 O\n0.726657 0.118759 0.613065 O\n0.374126 0.570834 0.431804 O\n0.623236 0.431804 0.570834 O\n0.818196 0.626764 0.875874 O\n0.679166 0.875874 0.626764 O\n0.452208 0.348672 0.620100 O\n0.579019 0.620100 0.348672 O\n0.629900 0.670981 0.797792 O\n0.901328 0.797792 0.670981 O\n0.007786 0.433592 0.364167 O\n0.194455 0.364167 0.433592 O\n0.885833 0.055545 0.242214 O\n0.816408 0.242214 0.055545 O\n0.702932 0.010556 0.141635 O\n0.144877 0.141635 0.010556 O\n0.108365 0.105123 0.547068 O\n0.239444 0.547068 0.105123 O\n",
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"formula_full": "K4 Al4 Si6 O24",
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{
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"structure_string": "Co5 Ge7\n1.0\n-3.995548 3.995548 2.926878\n3.995548 -3.995548 2.926878\n3.995548 3.995548 -2.926878\nCo Ge\n5 7\ndirect\n0.540247 0.540247 0.000000 Co\n0.721677 0.252961 0.000000 Co\n0.252961 0.252961 0.531285 Co\n0.721677 0.721677 0.468716 Co\n0.252961 0.721677 0.000000 Co\n0.159757 0.159757 0.000000 Ge\n0.019850 0.519850 0.500000 Ge\n0.519850 0.019850 0.500000 Ge\n0.018302 0.777755 0.240547 Ge\n0.777755 0.537207 0.759453 Ge\n0.777755 0.018302 0.240547 Ge\n0.537207 0.777755 0.759453 Ge\n",
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"density": 7.1355305248333405,
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"volume": 186.9034492990549,
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]
}