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{
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{
"id": "mp-753247",
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"structure_string": "Li2 Mn2 F10\n1.0\n5.287044 -0.163075 -0.177237\n2.483087 5.035767 -0.183910\n-0.318954 2.712299 6.591819\nLi Mn F\n2 2 10\ndirect\n0.322632 0.292869 0.760590 Li\n0.677368 0.707131 0.239410 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.132429 0.008266 0.255986 F\n0.213994 0.163866 0.554859 F\n0.009555 0.665548 0.127010 F\n0.300590 0.653862 0.629631 F\n0.625758 0.167979 0.006770 F\n0.867571 0.991734 0.744014 F\n0.374242 0.832021 0.993230 F\n0.699410 0.346138 0.370369 F\n0.990445 0.334452 0.872990 F\n0.786006 0.836134 0.445141 F\n",
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{
"id": "mp-26539",
"created_at": "2022-09-04T14:48:13.074118Z",
"structure_string": "Li6 V2 P4 O16\n1.0\n8.865731 0.000000 0.000000\n0.000000 4.932362 0.000000\n0.000000 4.445713 6.484609\nLi V P O\n6 2 4 16\ndirect\n0.138771 0.323755 0.690133 Li\n0.500000 0.000000 0.000000 Li\n0.638771 0.676245 0.809867 Li\n0.000000 0.000000 0.500000 Li\n0.361229 0.323755 0.190133 Li\n0.861229 0.676245 0.309867 Li\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.181463 0.808211 0.220279 P\n0.681463 0.191789 0.279721 P\n0.318537 0.808211 0.720279 P\n0.818537 0.191789 0.779721 P\n0.856419 0.474450 0.808332 O\n0.097972 0.744910 0.408369 O\n0.356419 0.525550 0.691668 O\n0.133575 0.146627 0.021966 O\n0.355838 0.826085 0.245299 O\n0.633575 0.853373 0.478034 O\n0.597972 0.255090 0.091631 O\n0.855838 0.173915 0.254701 O\n0.644162 0.173915 0.754701 O\n0.402028 0.744910 0.908369 O\n0.366425 0.146627 0.521966 O\n0.143581 0.525550 0.191668 O\n0.866425 0.853373 0.978034 O\n0.643581 0.474450 0.308332 O\n0.902028 0.255090 0.591631 O\n0.144162 0.826085 0.745299 O\n",
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"P",
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],
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"formula_full": "Li6 V2 P4 O16",
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},
{
"id": "mp-680293",
"created_at": "2022-09-04T14:48:13.515669Z",
"structure_string": "Gd6 Co58 Si8 B20\n1.0\n7.816726 0.000000 0.000000\n0.000000 11.152074 0.000000\n0.000000 0.000000 11.152074\nGd Co Si B\n6 58 8 20\ndirect\n0.000000 0.500000 0.000000 Gd\n0.500000 0.750000 0.250000 Gd\n0.500000 0.250000 0.750000 Gd\n0.000000 0.500000 0.500000 Gd\n0.000000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.697507 0.140035 0.140035 Co\n0.888258 0.860022 0.250000 Co\n0.663900 0.575479 0.088652 Co\n0.249735 0.364264 0.135736 Co\n0.697507 0.359965 0.140035 Co\n0.111742 0.750000 0.139978 Co\n0.888258 0.250000 0.860022 Co\n0.030212 0.750000 0.914892 Co\n0.249735 0.364264 0.364264 Co\n0.336100 0.075479 0.588652 Co\n0.527157 0.750000 0.522558 Co\n0.302493 0.640035 0.859965 Co\n0.336100 0.911348 0.424521 Co\n0.302493 0.640035 0.640035 Co\n0.527157 0.750000 0.977442 Co\n0.336100 0.075479 0.911348 Co\n0.472843 0.250000 0.022558 Co\n0.532251 0.750000 0.750000 Co\n0.030212 0.750000 0.585108 Co\n0.888258 0.250000 0.639978 Co\n0.472843 0.250000 0.477442 Co\n0.336100 0.588652 0.075479 Co\n0.111742 0.139978 0.750000 Co\n0.663900 0.088652 0.924521 Co\n0.663900 0.088652 0.575479 Co\n0.249735 0.135736 0.135736 Co\n0.663900 0.924521 0.411348 Co\n0.697507 0.140035 0.359965 Co\n0.336100 0.424521 0.588652 Co\n0.249735 0.135736 0.364264 Co\n0.663900 0.924521 0.088652 Co\n0.302493 0.859965 0.640035 Co\n0.888258 0.639978 0.250000 Co\n0.969788 0.250000 0.085108 Co\n0.472843 0.022558 0.250000 Co\n0.527157 0.977442 0.750000 Co\n0.663900 0.411348 0.924521 Co\n0.969788 0.414892 0.250000 Co\n0.750265 0.635736 0.864264 Co\n0.750265 0.864264 0.864264 Co\n0.750265 0.864264 0.635736 Co\n0.111742 0.750000 0.360022 Co\n0.750265 0.635736 0.635736 Co\n0.111742 0.360022 0.750000 Co\n0.663900 0.575479 0.411348 Co\n0.030212 0.914892 0.750000 Co\n0.030212 0.585108 0.750000 Co\n0.663900 0.411348 0.575479 Co\n0.969788 0.250000 0.414892 Co\n0.697507 0.359965 0.359965 Co\n0.472843 0.477442 0.250000 Co\n0.302493 0.859965 0.859965 Co\n0.467749 0.250000 0.250000 Co\n0.336100 0.588652 0.424521 Co\n0.336100 0.911348 0.075479 Co\n0.336100 0.424521 0.911348 Co\n0.969788 0.085108 0.250000 Co\n0.527157 0.522558 0.750000 Co\n0.825088 0.750000 0.431399 Si\n0.825088 0.750000 0.068601 Si\n0.825088 0.431399 0.750000 Si\n0.174912 0.250000 0.568601 Si\n0.174912 0.931399 0.250000 Si\n0.825088 0.068601 0.750000 Si\n0.174912 0.568601 0.250000 Si\n0.174912 0.250000 0.931399 Si\n0.481217 0.436318 0.063682 B\n0.101067 0.250000 0.250000 B\n0.736471 0.505779 0.250000 B\n0.481217 0.063682 0.436318 B\n0.848714 0.250000 0.250000 B\n0.518783 0.563682 0.936318 B\n0.518783 0.563682 0.563682 B\n0.518783 0.936318 0.936318 B\n0.263529 0.750000 0.494221 B\n0.898933 0.750000 0.750000 B\n0.736471 0.250000 0.994221 B\n0.151286 0.750000 0.750000 B\n0.481217 0.436318 0.436318 B\n0.736471 0.250000 0.505779 B\n0.263529 0.005779 0.750000 B\n0.481217 0.063682 0.063682 B\n0.263529 0.494221 0.750000 B\n0.263529 0.750000 0.005779 B\n0.736471 0.994221 0.250000 B\n0.518783 0.936318 0.563682 B\n",
"nsites": 92,
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"elements": [
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"Si",
"B"
],
"chemical_system": "B-Co-Gd-Si",
"density": 8.20319334103718,
"density_atomic": 0.09463497100120571,
"volume": 972.1564768993046,
"volume_molar": 6.363546896340544,
"formula_full": "Gd6 Co58 Si8 B20",
"formula_reduced": "Gd3Co29(Si2B5)2",
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"energy": -711.27330328,
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"spacegroup": 129
},
{
"id": "mp-759315",
"created_at": "2022-09-04T14:48:13.569580Z",
"structure_string": "Li16 Fe16 Si16 O64\n1.0\n4.986114 8.876639 0.000000\n-4.986114 8.876639 0.000000\n0.000000 6.377881 16.201415\nLi Fe Si O\n16 16 16 64\ndirect\n0.565205 0.627529 0.815230 Li\n0.636077 0.067941 0.312284 Li\n0.732847 0.816881 0.564243 Li\n0.232994 0.383430 0.563029 Li\n0.315540 0.733851 0.064474 Li\n0.884114 0.233394 0.062342 Li\n0.505431 0.118543 0.813319 Li\n0.067941 0.636077 0.812284 Li\n0.128738 0.004910 0.312517 Li\n0.627529 0.565205 0.315230 Li\n0.733851 0.315540 0.564474 Li\n0.233394 0.884114 0.562342 Li\n0.816881 0.732847 0.064243 Li\n0.383430 0.232994 0.063029 Li\n0.004910 0.128738 0.812517 Li\n0.118543 0.505431 0.313319 Li\n0.873022 0.497529 0.687221 Fe\n0.436011 0.373721 0.187470 Fe\n0.997877 0.869756 0.187153 Fe\n0.615917 0.765017 0.938794 Fe\n0.187796 0.261287 0.936911 Fe\n0.761430 0.117725 0.437981 Fe\n0.263164 0.686718 0.437664 Fe\n0.373721 0.436011 0.687470 Fe\n0.869756 0.997877 0.687153 Fe\n0.935468 0.369259 0.188269 Fe\n0.497529 0.873022 0.187221 Fe\n0.117725 0.761430 0.937981 Fe\n0.686718 0.263164 0.937664 Fe\n0.765017 0.615917 0.438794 Fe\n0.261287 0.187796 0.436911 Fe\n0.369259 0.935468 0.688269 Fe\n0.310164 0.939305 0.877763 Si\n0.874296 0.442184 0.876089 Si\n0.942309 0.812000 0.377483 Si\n0.437291 0.373604 0.375592 Si\n0.559624 0.125453 0.625851 Si\n0.062762 0.686457 0.624711 Si\n0.626457 0.562049 0.126296 Si\n0.185689 0.060324 0.124227 Si\n0.812000 0.942309 0.877483 Si\n0.373604 0.437291 0.875592 Si\n0.939305 0.310164 0.377763 Si\n0.442184 0.874296 0.376089 Si\n0.562049 0.626457 0.626296 Si\n0.060324 0.185689 0.624227 Si\n0.125453 0.559624 0.125851 Si\n0.686457 0.062762 0.124711 Si\n0.028214 0.366380 0.610747 O\n0.825163 0.321369 0.953677 O\n0.419308 0.860518 0.795309 O\n0.917688 0.373607 0.792382 O\n0.400396 0.820298 0.955425 O\n0.724317 0.618671 0.866680 O\n0.531572 0.986413 0.617245 O\n0.868133 0.028216 0.110651 O\n0.321028 0.322694 0.455704 O\n0.358459 0.414987 0.296111 O\n0.875603 0.922342 0.291854 O\n0.296964 0.112399 0.865323 O\n0.817664 0.902135 0.454068 O\n0.895463 0.683104 0.643886 O\n0.615839 0.226855 0.365120 O\n0.024142 0.446772 0.889316 O\n0.484911 0.537448 0.118029 O\n0.389164 0.281013 0.641277 O\n0.115106 0.797857 0.366912 O\n0.178717 0.606934 0.543622 O\n0.184018 0.892039 0.143410 O\n0.648683 0.070653 0.703391 O\n0.157087 0.581809 0.702177 O\n0.675580 0.170343 0.543470 O\n0.640315 0.950142 0.893169 O\n0.443662 0.523640 0.387548 O\n0.779695 0.389251 0.140983 O\n0.107257 0.176832 0.043018 O\n0.028216 0.868133 0.610651 O\n0.322694 0.321028 0.955704 O\n0.414987 0.358459 0.796111 O\n0.922342 0.875603 0.791854 O\n0.078374 0.150650 0.203229 O\n0.576120 0.651798 0.202757 O\n0.949125 0.137426 0.394159 O\n0.671978 0.676596 0.043276 O\n0.902135 0.817664 0.954068 O\n0.226855 0.615839 0.865120 O\n0.366380 0.028214 0.110747 O\n0.537448 0.484911 0.618029 O\n0.321369 0.825163 0.453677 O\n0.860518 0.419308 0.295309 O\n0.373607 0.917688 0.292382 O\n0.797857 0.115106 0.866912 O\n0.892039 0.184018 0.643410 O\n0.820298 0.400396 0.455425 O\n0.523640 0.443662 0.887548 O\n0.618671 0.724317 0.366680 O\n0.986413 0.531572 0.117245 O\n0.389251 0.779695 0.640983 O\n0.112399 0.296964 0.365323 O\n0.176832 0.107257 0.543018 O\n0.683104 0.895463 0.143886 O\n0.150650 0.078374 0.703229 O\n0.651798 0.576120 0.702757 O\n0.137426 0.949125 0.894159 O\n0.676596 0.671978 0.543276 O\n0.446772 0.024142 0.389316 O\n0.281013 0.389164 0.141277 O\n0.606934 0.178717 0.043622 O\n0.070653 0.648683 0.203391 O\n0.581809 0.157087 0.202177 O\n0.170343 0.675580 0.043470 O\n0.950142 0.640315 0.393169 O\n",
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{
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"structure_string": "Bi8 O20\n1.0\n10.503533 0.000000 0.000000\n0.000000 5.536426 0.000000\n0.000000 4.438928 7.942741\nBi O\n8 20\ndirect\n0.402914 0.214233 0.033161 Bi\n0.597086 0.785767 0.966839 Bi\n0.902914 0.785767 0.466839 Bi\n0.097086 0.214233 0.533161 Bi\n0.889644 0.001720 0.873322 Bi\n0.110356 0.998280 0.126678 Bi\n0.610356 0.001720 0.373322 Bi\n0.389644 0.998280 0.626678 Bi\n0.934684 0.934650 0.646370 O\n0.986026 0.389551 0.667666 O\n0.794242 0.165052 0.321480 O\n0.421549 0.867259 0.440128 O\n0.718849 0.620733 0.496314 O\n0.781151 0.620733 0.996314 O\n0.513974 0.389551 0.167666 O\n0.486026 0.610449 0.832334 O\n0.578451 0.132741 0.559872 O\n0.434684 0.065350 0.853630 O\n0.281151 0.379267 0.503686 O\n0.065316 0.065350 0.353630 O\n0.565316 0.934650 0.146370 O\n0.218849 0.379267 0.003686 O\n0.921549 0.132741 0.059872 O\n0.078451 0.867259 0.940128 O\n0.205758 0.834948 0.678520 O\n0.013974 0.610449 0.332334 O\n0.294242 0.834948 0.178520 O\n0.705758 0.165052 0.821480 O\n",
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{
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{
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