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{
"id": "mp-1226998",
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"structure_string": "Ce4 Ni3 Pt1\n1.0\n3.707127 0.000000 0.000000\n0.000000 4.291408 0.000000\n0.000000 0.000000 10.645477\nCe Ni Pt\n4 3 1\ndirect\n0.500000 0.500000 0.374091 Ce\n0.000000 0.500000 0.855357 Ce\n0.000000 0.000000 0.137549 Ce\n0.500000 0.000000 0.637712 Ce\n0.000000 0.500000 0.579418 Ni\n0.000000 0.000000 0.420656 Ni\n0.500000 0.000000 0.908175 Ni\n0.500000 0.500000 0.087042 Pt\n",
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{
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},
{
"id": "mp-849726",
"created_at": "2022-09-04T14:39:40.601095Z",
"structure_string": "Li10 Mn8 P16 O56\n1.0\n9.794392 0.000000 0.000000\n0.027947 9.812723 0.000000\n0.031611 2.366791 11.029888\nLi Mn P O\n10 8 16 56\ndirect\n0.106228 0.087924 0.976194 Li\n0.609708 0.408728 0.026146 Li\n0.917171 0.338852 0.536869 Li\n0.219133 0.390180 0.449733 Li\n0.394509 0.584802 0.972878 Li\n0.587568 0.850859 0.048150 Li\n0.091966 0.646079 0.954669 Li\n0.893322 0.911206 0.030765 Li\n0.579842 0.839487 0.535963 Li\n0.280076 0.889747 0.449138 Li\n0.919051 0.203523 0.324967 Mn\n0.209477 0.254858 0.175605 Mn\n0.715075 0.233359 0.827042 Mn\n0.428663 0.305976 0.666513 Mn\n0.578695 0.705026 0.327030 Mn\n0.286315 0.754501 0.174778 Mn\n0.784633 0.733168 0.826960 Mn\n0.070710 0.804290 0.664950 Mn\n0.448366 0.025586 0.245943 P\n0.707718 0.118954 0.110642 P\n0.932500 0.060595 0.760144 P\n0.154165 0.130305 0.575455 P\n0.641279 0.377488 0.430323 P\n0.429207 0.438030 0.242173 P\n0.049947 0.521301 0.243023 P\n0.211141 0.378631 0.882775 P\n0.793357 0.615484 0.108956 P\n0.939983 0.468170 0.757145 P\n0.567983 0.560677 0.758276 P\n0.345975 0.629368 0.575753 P\n0.854333 0.880420 0.424559 P\n0.072055 0.937749 0.243119 P\n0.292693 0.882263 0.885964 P\n0.559470 0.970342 0.758221 P\n0.421879 0.015870 0.378019 O\n0.850447 0.036269 0.430134 O\n0.081563 0.086559 0.270180 O\n0.343359 0.108357 0.157505 O\n0.590229 0.106054 0.212872 O\n0.829001 0.174720 0.168648 O\n0.654255 0.226819 0.997126 O\n0.261121 0.017574 0.919182 O\n0.076052 0.118619 0.704930 O\n0.935874 0.058111 0.894172 O\n0.558050 0.118788 0.790464 O\n0.289555 0.200708 0.591360 O\n0.823139 0.167535 0.699535 O\n0.065975 0.227241 0.480628 O\n0.560638 0.288931 0.536540 O\n0.308302 0.345658 0.298411 O\n0.784054 0.318101 0.415768 O\n0.035669 0.366549 0.219511 O\n0.565203 0.366666 0.305507 O\n0.441895 0.437792 0.108937 O\n0.768101 0.478679 0.076324 O\n0.163556 0.270161 0.995095 O\n0.328679 0.321978 0.815577 O\n0.087545 0.397941 0.785857 O\n0.584375 0.413843 0.727666 O\n0.839708 0.378531 0.847611 O\n0.086233 0.522159 0.371403 O\n0.335092 0.480904 0.556244 O\n0.647339 0.531647 0.435269 O\n0.915065 0.475522 0.626066 O\n0.142747 0.604340 0.142722 O\n0.417484 0.585780 0.270773 O\n0.901986 0.593928 0.218867 O\n0.673604 0.689280 0.156687 O\n0.862312 0.721871 0.997517 O\n0.233328 0.518489 0.914908 O\n0.564365 0.559147 0.892208 O\n0.424079 0.620375 0.704584 O\n0.946879 0.616385 0.794436 O\n0.207636 0.694588 0.592870 O\n0.678748 0.666867 0.698843 O\n0.432240 0.727807 0.481335 O\n0.931563 0.792755 0.532377 O\n0.189243 0.845942 0.304223 O\n0.710639 0.825060 0.409791 O\n0.467461 0.876810 0.212204 O\n0.063041 0.934032 0.110033 O\n0.930891 0.869889 0.300393 O\n0.725649 0.978732 0.077770 O\n0.358371 0.775226 0.993647 O\n0.173549 0.809497 0.831062 O\n0.407199 0.909454 0.779192 O\n0.649823 0.873610 0.857607 O\n0.914640 0.912325 0.731386 O\n0.167875 0.981819 0.556765 O\n0.596483 0.968360 0.631150 O\n",
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"elements": [
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"density_atomic": 0.08489935399474513,
"volume": 1060.0787375316256,
"volume_molar": 7.0932704156650495,
"formula_full": "Li10 Mn8 P16 O56",
"formula_reduced": "Li5Mn4(P2O7)4",
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"energy": -685.59890367,
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"updated_at": "2021-11-28T01:34:23.866000Z",
"spacegroup": 1
},
{
"id": "mp-1246097",
"created_at": "2022-09-04T14:39:12.089560Z",
"structure_string": "Mn2 Co8 N8\n1.0\n4.805233 -0.223359 -0.131664\n1.587654 4.523292 0.060910\n1.041122 2.110193 7.296345\nMn Co N\n2 8 8\ndirect\n0.695653 0.846783 0.777893 Mn\n0.304347 0.153217 0.222107 Mn\n0.759785 0.639361 0.217177 Co\n0.240215 0.360639 0.782823 Co\n0.740646 0.245290 0.948711 Co\n0.259354 0.754710 0.051289 Co\n0.780951 0.431564 0.572910 Co\n0.219049 0.568436 0.427090 Co\n0.269466 0.939765 0.582905 Co\n0.730534 0.060235 0.417095 Co\n0.977289 0.709536 0.617392 N\n0.022711 0.290464 0.382608 N\n0.868419 0.826354 0.983818 N\n0.131581 0.173646 0.016182 N\n0.428374 0.633437 0.837569 N\n0.571626 0.366563 0.162431 N\n0.509609 0.789333 0.392092 N\n0.490391 0.210667 0.607908 N\n",
"nsites": 18,
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"elements": [
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"density": 7.163892754241715,
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"formula_full": "Mn2 Co8 N8",
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{
"id": "mp-1804",
"created_at": "2022-09-04T14:39:07.163603Z",
"structure_string": "Fe6 N2\n1.0\n2.329385 -4.034613 0.000000\n2.329385 4.034613 0.000000\n0.000000 0.000000 4.322224\nFe N\n6 2\ndirect\n0.673179 0.673179 0.000000 Fe\n0.000000 0.673179 0.500000 Fe\n0.673179 0.000000 0.500000 Fe\n0.326821 0.326821 0.500000 Fe\n0.000000 0.326821 0.000000 Fe\n0.326821 0.000000 0.000000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
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{
"id": "mp-1337931",
"created_at": "2022-09-04T14:39:43.916234Z",
"structure_string": "Rh12 S12 Cl60\n1.0\n3.538323 13.539631 0.000000\n-3.538323 13.539631 0.000000\n0.000000 13.420754 24.041449\nRh S Cl\n12 12 60\ndirect\n0.937605 0.839838 0.937789 Rh\n0.315045 0.060078 0.415609 Rh\n0.060078 0.315045 0.915609 Rh\n0.018006 0.637241 0.852513 Rh\n0.684955 0.939922 0.584391 Rh\n0.160162 0.062395 0.562211 Rh\n0.062395 0.160162 0.062211 Rh\n0.939922 0.684955 0.084391 Rh\n0.362759 0.981994 0.647487 Rh\n0.637241 0.018006 0.352513 Rh\n0.839838 0.937605 0.437789 Rh\n0.981994 0.362759 0.147487 Rh\n0.919853 0.294750 0.913654 S\n0.294750 0.919853 0.413654 S\n0.754366 0.539244 0.217291 S\n0.705250 0.080147 0.586346 S\n0.080147 0.705250 0.086346 S\n0.729098 0.129171 0.881507 S\n0.245634 0.460756 0.782709 S\n0.270902 0.870829 0.118493 S\n0.539244 0.754366 0.717291 S\n0.460756 0.245634 0.282709 S\n0.129171 0.729098 0.381507 S\n0.870829 0.270902 0.618493 S\n0.173049 0.213076 0.567467 Cl\n0.376506 0.442607 0.068251 Cl\n0.935186 0.314398 0.832888 Cl\n0.557393 0.623494 0.431749 Cl\n0.532289 0.145146 0.501238 Cl\n0.442607 0.376506 0.568251 Cl\n0.695862 0.853774 0.159877 Cl\n0.685602 0.064814 0.667112 Cl\n0.145146 0.532289 0.001238 Cl\n0.583456 0.338137 0.918001 Cl\n0.661863 0.416544 0.581999 Cl\n0.373414 0.140666 0.641943 Cl\n0.140666 0.373414 0.141943 Cl\n0.335371 0.838904 0.638852 Cl\n0.213076 0.173049 0.067467 Cl\n0.328400 0.544253 0.735299 Cl\n0.120887 0.881958 0.313835 Cl\n0.904462 0.150489 0.056929 Cl\n0.270608 0.012210 0.978148 Cl\n0.139526 0.302448 0.340058 Cl\n0.826951 0.786924 0.432533 Cl\n0.544253 0.328400 0.235299 Cl\n0.623494 0.557393 0.931749 Cl\n0.314398 0.935186 0.332888 Cl\n0.446088 0.888212 0.773012 Cl\n0.664629 0.161096 0.361148 Cl\n0.838904 0.335371 0.138852 Cl\n0.338137 0.583456 0.418001 Cl\n0.302448 0.139526 0.840058 Cl\n0.621513 0.856877 0.357909 Cl\n0.450334 0.669011 0.764463 Cl\n0.780113 0.661052 0.083700 Cl\n0.849511 0.095538 0.443071 Cl\n0.053313 0.195263 0.705256 Cl\n0.012210 0.270608 0.478148 Cl\n0.095538 0.849511 0.943071 Cl\n0.161096 0.664629 0.861148 Cl\n0.118042 0.879113 0.186165 Cl\n0.114426 0.541778 0.727684 Cl\n0.661052 0.780113 0.583700 Cl\n0.060281 0.681161 0.167909 Cl\n0.854854 0.467711 0.998762 Cl\n0.888212 0.446088 0.273012 Cl\n0.853774 0.695862 0.659877 Cl\n0.786924 0.826951 0.932533 Cl\n0.219887 0.338948 0.916300 Cl\n0.805608 0.939715 0.793884 Cl\n0.987790 0.729392 0.521852 Cl\n0.467711 0.854854 0.498762 Cl\n0.150489 0.904462 0.556929 Cl\n0.881958 0.120887 0.813835 Cl\n0.416544 0.661863 0.081999 Cl\n0.338948 0.219887 0.416300 Cl\n0.671600 0.455747 0.264701 Cl\n0.879113 0.118042 0.686165 Cl\n0.939715 0.805608 0.293884 Cl\n0.541778 0.114426 0.227684 Cl\n0.859334 0.626586 0.858057 Cl\n0.195263 0.053313 0.205256 Cl\n0.729392 0.987790 0.021852 Cl\n",
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"formula_full": "Rh12 S12 Cl60",
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{
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"structure_string": "Sm1 Gd3\n1.0\n-2.543103 2.543103 5.104217\n2.543103 -2.543103 5.104217\n2.543103 2.543103 -5.104217\nSm Gd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Gd\n0.250000 0.750000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n",
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{
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"structure_string": "Sb6 O28\n1.0\n14.943285 0.000000 0.000000\n0.000000 5.856034 0.000000\n0.000000 1.838560 5.568227\nSb O\n6 28\ndirect\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.570727 0.651558 0.613044 Sb\n0.070727 0.348442 0.386956 Sb\n0.429273 0.348442 0.386956 Sb\n0.929273 0.651558 0.613044 Sb\n0.750000 0.131875 0.995632 O\n0.250000 0.868125 0.004368 O\n0.750000 0.659029 0.826298 O\n0.250000 0.340971 0.173702 O\n0.512428 0.220344 0.208363 O\n0.012428 0.779656 0.791637 O\n0.487572 0.779656 0.791637 O\n0.987572 0.220344 0.208363 O\n0.347446 0.147145 0.604553 O\n0.847446 0.852855 0.395447 O\n0.652554 0.852855 0.395447 O\n0.152554 0.147145 0.604553 O\n0.325460 0.489195 0.124585 O\n0.825460 0.510805 0.875415 O\n0.674540 0.510805 0.875415 O\n0.174540 0.489195 0.124585 O\n0.521467 0.314584 0.675128 O\n0.021467 0.685416 0.324872 O\n0.478533 0.685416 0.324872 O\n0.978533 0.314584 0.675128 O\n0.373366 0.069672 0.978708 O\n0.873366 0.930328 0.021292 O\n0.626634 0.930328 0.021292 O\n0.126634 0.069672 0.978708 O\n0.708793 0.361046 0.409345 O\n0.208793 0.638954 0.590655 O\n0.291207 0.638954 0.590655 O\n0.791207 0.361046 0.409345 O\n",
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