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{
"id": "mp-1212242",
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"structure_string": "Ho2 Be2 N2 F12\n1.0\n6.006974 0.000000 0.000000\n0.000000 6.547141 0.000000\n0.000000 2.547068 6.895220\nHo Be N F\n2 2 2 12\ndirect\n0.250000 0.347760 0.234745 Ho\n0.750000 0.652240 0.765255 Ho\n0.250000 0.771856 0.460248 Be\n0.750000 0.228144 0.539752 Be\n0.250000 0.255919 0.856429 N\n0.750000 0.744081 0.143571 N\n0.458287 0.750467 0.593902 F\n0.541713 0.249533 0.406098 F\n0.958287 0.249533 0.406098 F\n0.041713 0.750467 0.593902 F\n0.250000 0.593529 0.366774 F\n0.750000 0.406471 0.633226 F\n0.557363 0.648628 0.054558 F\n0.442637 0.351372 0.945442 F\n0.057363 0.351372 0.945442 F\n0.942637 0.648628 0.054558 F\n0.250000 0.999822 0.297204 F\n0.750000 0.000178 0.702796 F\n",
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{
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"created_at": "2022-09-04T14:47:15.953287Z",
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"spacegroup": 71
},
{
"id": "mp-556415",
"created_at": "2022-09-04T14:47:15.559511Z",
"structure_string": "Li4 Mn4 O8\n1.0\n-1.391953 4.912441 -2.661305\n3.694671 4.884269 0.861876\n5.105813 -0.002866 -2.661354\nLi Mn O\n4 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n0.500001 0.000000 0.000000 Mn\n0.268612 0.501499 0.749355 O\n0.249145 0.001499 0.229889 O\n0.731388 0.498501 0.250645 O\n0.270110 0.498501 0.250853 O\n0.750647 0.998501 0.231389 O\n0.750855 0.998501 0.770111 O\n0.249353 0.001499 0.768611 O\n0.729890 0.501499 0.749148 O\n",
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"volume": 154.40724122121856,
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"formula_full": "Li4 Mn4 O8",
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"spacegroup": 141
},
{
"id": "mp-773074",
"created_at": "2022-09-04T14:47:16.193233Z",
"structure_string": "Li2 Zr4 P6 O24\n1.0\n8.841416 0.000000 0.000000\n4.334057 7.801762 0.000000\n4.405810 2.651360 7.629121\nLi Zr P O\n2 4 6 24\ndirect\n0.860186 0.619062 0.517330 Li\n0.596118 0.790719 0.742989 Li\n0.133897 0.644131 0.070337 Zr\n0.636510 0.160288 0.565069 Zr\n0.353637 0.862518 0.427465 Zr\n0.862680 0.351518 0.940089 Zr\n0.044210 0.251894 0.241627 P\n0.239369 0.046916 0.740604 P\n0.463815 0.530226 0.251507 P\n0.534001 0.484809 0.745072 P\n0.747373 0.953472 0.270116 P\n0.950789 0.755445 0.752872 P\n0.032191 0.304683 0.060055 O\n0.195346 0.066435 0.274499 O\n0.085283 0.399224 0.244036 O\n0.264628 0.032185 0.570410 O\n0.085452 0.223611 0.765491 O\n0.422617 0.041141 0.733493 O\n0.804269 0.116202 0.119344 O\n0.287431 0.593854 0.212845 O\n0.484186 0.343522 0.398160 O\n0.629765 0.512283 0.083778 O\n0.134174 0.763927 0.607524 O\n0.455512 0.670107 0.310174 O\n0.543810 0.346121 0.684855 O\n0.860091 0.237012 0.385179 O\n0.369758 0.503780 0.909911 O\n0.526488 0.674185 0.599758 O\n0.716095 0.423643 0.776018 O\n0.195667 0.881005 0.898919 O\n0.575151 0.956802 0.263951 O\n0.901865 0.769083 0.256284 O\n0.717582 0.952896 0.451474 O\n0.890195 0.618906 0.747145 O\n0.793743 0.939277 0.722850 O\n0.968768 0.697108 0.932432 O\n",
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"formula_full": "Li2 Zr4 P6 O24",
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"spacegroup": 1
},
{
"id": "mp-996994",
"created_at": "2022-09-04T14:47:24.123799Z",
"structure_string": "Fe4 Au4 O8\n1.0\n4.413587 2.651169 -1.477254\n3.194034 -5.317038 -0.000165\n1.596726 -2.658895 -6.459807\nFe Au O\n4 4 8\ndirect\n0.500000 0.749669 0.000001 Fe\n0.000000 0.500331 0.999999 Fe\n0.499999 0.249668 0.999997 Fe\n0.000000 0.000331 0.000001 Fe\n0.000001 0.999905 0.499999 Au\n0.000000 0.499904 0.500001 Au\n0.500000 0.750096 0.499999 Au\n0.499999 0.250095 0.500001 Au\n0.887719 0.831732 0.837303 O\n0.887719 0.331734 0.837303 O\n0.387718 0.580957 0.837303 O\n0.387719 0.080956 0.837302 O\n0.112282 0.169044 0.162698 O\n0.112282 0.669043 0.162697 O\n0.612281 0.918266 0.162698 O\n0.612282 0.418268 0.162697 O\n",
"nsites": 16,
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"elements": [
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"density": 9.170090115628675,
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"volume": 206.2962253735009,
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"formula_full": "Fe4 Au4 O8",
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"spacegroup": 166
},
{
"id": "mp-761857",
"created_at": "2022-09-04T14:47:19.321499Z",
"structure_string": "Li4 Nb4 B8 O24\n1.0\n9.107674 0.000000 0.000000\n0.000000 5.045738 0.000000\n0.000000 3.563473 11.140400\nLi Nb B O\n4 4 8 24\ndirect\n0.961740 0.907283 0.906979 Li\n0.461740 0.092717 0.593021 Li\n0.538260 0.907283 0.406979 Li\n0.038260 0.092717 0.093021 Li\n0.303891 0.997474 0.869100 Nb\n0.803891 0.002526 0.630900 Nb\n0.196109 0.997474 0.369100 Nb\n0.696109 0.002526 0.130900 Nb\n0.316723 0.442354 0.381876 B\n0.647458 0.987934 0.868656 B\n0.816723 0.557646 0.118124 B\n0.147458 0.012066 0.631344 B\n0.852542 0.987934 0.368656 B\n0.183277 0.442354 0.881876 B\n0.352542 0.012066 0.131344 B\n0.683277 0.557646 0.618124 B\n0.337407 0.889189 0.041580 O\n0.644272 0.300911 0.608962 O\n0.898257 0.796868 0.087046 O\n0.268912 0.073561 0.687668 O\n0.007225 0.072588 0.662686 O\n0.673065 0.600123 0.156342 O\n0.173065 0.399877 0.343658 O\n0.507225 0.927412 0.837314 O\n0.768912 0.926439 0.812332 O\n0.398257 0.203132 0.412954 O\n0.837407 0.110811 0.458420 O\n0.144272 0.699089 0.891038 O\n0.855728 0.300911 0.108962 O\n0.162593 0.889189 0.541580 O\n0.601743 0.796868 0.587046 O\n0.231088 0.073561 0.187668 O\n0.492775 0.072588 0.162686 O\n0.826935 0.600123 0.656342 O\n0.326935 0.399877 0.843658 O\n0.992775 0.927412 0.337314 O\n0.731088 0.926439 0.312332 O\n0.101743 0.203132 0.912954 O\n0.355728 0.699089 0.391038 O\n0.662593 0.110811 0.958420 O\n",
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{
"id": "mp-560864",
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"structure_string": "Sr4 Zn4 Ni4 P8 O32\n1.0\n-1.461634 6.347322 -2.431233\n-0.040486 -0.044489 9.363196\n10.742495 -0.067481 -2.189010\nSr Zn Ni P O\n4 4 4 8 32\ndirect\n0.798980 0.051165 0.124329 Sr\n0.798980 0.051165 0.624329 Sr\n0.201020 0.948835 0.375671 Sr\n0.201020 0.948835 0.875671 Sr\n0.384141 0.647233 0.494910 Zn\n0.384141 0.647233 0.994910 Zn\n0.615859 0.352767 0.005090 Zn\n0.615859 0.352767 0.505090 Zn\n0.852706 0.560593 0.819215 Ni\n0.147294 0.439407 0.680785 Ni\n0.852706 0.560593 0.319215 Ni\n0.147294 0.439407 0.180785 Ni\n0.424390 0.236578 0.197888 P\n0.424390 0.236578 0.697888 P\n0.575610 0.763422 0.302112 P\n0.575610 0.763422 0.802112 P\n0.024026 0.302393 0.421445 P\n0.024026 0.302393 0.921445 P\n0.975974 0.697607 0.078555 P\n0.975974 0.697607 0.578555 P\n0.554331 0.892192 0.406126 O\n0.554331 0.892192 0.906126 O\n0.445669 0.107808 0.093874 O\n0.445669 0.107808 0.593874 O\n0.474706 0.209228 0.332441 O\n0.474706 0.209228 0.832441 O\n0.525294 0.790772 0.167559 O\n0.525294 0.790772 0.667559 O\n0.798342 0.761866 0.329453 O\n0.798342 0.761866 0.829453 O\n0.201658 0.238134 0.170547 O\n0.201658 0.238134 0.670547 O\n0.115399 0.695599 0.476301 O\n0.115399 0.695599 0.976301 O\n0.884601 0.304401 0.023699 O\n0.884601 0.304401 0.523699 O\n0.748203 0.578151 0.497932 O\n0.748203 0.578151 0.997932 O\n0.251797 0.421849 0.002068 O\n0.251797 0.421849 0.502068 O\n0.996779 0.867123 0.131028 O\n0.996779 0.867123 0.631028 O\n0.003221 0.132877 0.368972 O\n0.003221 0.132877 0.868972 O\n0.591571 0.398301 0.188688 O\n0.591571 0.398301 0.688688 O\n0.408429 0.601699 0.311312 O\n0.408429 0.601699 0.811312 O\n0.953816 0.368921 0.310622 O\n0.953816 0.368921 0.810622 O\n0.046184 0.631079 0.189378 O\n0.046184 0.631079 0.689378 O\n",
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"formula_full": "Sr4 Zn4 Ni4 P8 O32",
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{
"id": "mp-558765",
"created_at": "2022-09-04T14:47:23.982745Z",
"structure_string": "Li4 Ni2 W4 O16\n1.0\n-2.538756 4.758794 -1.807828\n-5.006436 0.083148 6.015680\n2.497416 4.796502 3.976798\nLi Ni W O\n4 2 4 16\ndirect\n0.315745 0.645435 0.606940 Li\n0.815741 0.145439 0.106943 Li\n0.684259 0.354561 0.393056 Li\n0.184255 0.854565 0.893059 Li\n0.250000 0.249999 0.750003 Ni\n0.749998 0.750000 0.250003 Ni\n0.728688 0.539461 0.796803 W\n0.771312 0.960539 0.703196 W\n0.228675 0.039464 0.296789 W\n0.271324 0.460536 0.203211 W\n0.595488 0.158216 0.650457 O\n0.095479 0.658217 0.150463 O\n0.404520 0.841784 0.349536 O\n0.904513 0.341784 0.849542 O\n0.719255 0.556191 0.519752 O\n0.219237 0.056159 0.019732 O\n0.280764 0.443841 0.480268 O\n0.780746 0.943810 0.980247 O\n0.888013 0.940355 0.390313 O\n0.388008 0.440342 0.890358 O\n0.111992 0.059658 0.609641 O\n0.611986 0.559645 0.109687 O\n0.526074 0.789812 0.752721 O\n0.026074 0.289814 0.252719 O\n0.473927 0.210186 0.247280 O\n0.973929 0.710188 0.747278 O\n",
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},
{
"id": "mp-19054",
"created_at": "2022-09-04T14:47:21.226302Z",
"structure_string": "Ba2 Mn2 C2 O6 F4\n1.0\n4.978432 0.000000 0.000000\n-2.489215 4.311448 0.000000\n0.000000 0.000000 10.150157\nBa Mn C O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.750000 Mn\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n0.873220 0.625922 0.250000 O\n0.247298 0.873220 0.750000 O\n0.752702 0.126780 0.250000 O\n0.126780 0.374078 0.750000 O\n0.374078 0.247298 0.250000 O\n0.625922 0.752702 0.750000 O\n0.333333 0.666667 0.454903 F\n0.666667 0.333333 0.954903 F\n0.333333 0.666667 0.045097 F\n0.666667 0.333333 0.545097 F\n",
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"formula_full": "Ba2 Mn2 C2 O6 F4",
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