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{
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{
"id": "mp-29789",
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},
{
"id": "mp-1247318",
"created_at": "2022-09-04T14:40:08.124268Z",
"structure_string": "Sr2 Cr14 N20\n1.0\n7.094251 0.000000 0.057868\n0.000000 6.859834 0.000000\n-2.657554 0.000000 9.922776\nSr Cr N\n2 14 20\ndirect\n0.909687 0.030664 0.609432 Sr\n0.909687 0.969336 0.109432 Sr\n0.544664 0.016396 0.832475 Cr\n0.544664 0.983604 0.332475 Cr\n0.359948 0.020986 0.015073 Cr\n0.359948 0.979014 0.515073 Cr\n0.096892 0.414410 0.075235 Cr\n0.096892 0.585590 0.575235 Cr\n0.680483 0.387103 0.976307 Cr\n0.680483 0.612897 0.476307 Cr\n0.865985 0.652018 0.813667 Cr\n0.865985 0.347982 0.313667 Cr\n0.313450 0.614469 0.900712 Cr\n0.313450 0.385531 0.400712 Cr\n0.461100 0.380577 0.693837 Cr\n0.461100 0.619423 0.193837 Cr\n0.757786 0.883319 0.836248 N\n0.757786 0.116681 0.336248 N\n0.568914 0.153278 0.992501 N\n0.568914 0.846722 0.492501 N\n0.348247 0.866952 0.864830 N\n0.348247 0.133048 0.364830 N\n0.173407 0.183309 0.024648 N\n0.173407 0.816691 0.524648 N\n0.251277 0.496483 0.734159 N\n0.251277 0.503517 0.234159 N\n0.427786 0.121487 0.668703 N\n0.427786 0.878513 0.168703 N\n0.881901 0.361277 0.137524 N\n0.881901 0.638723 0.637524 N\n0.079554 0.604692 0.948867 N\n0.079554 0.395308 0.448867 N\n0.688450 0.466318 0.804766 N\n0.688450 0.533682 0.304766 N\n0.532770 0.549721 0.040314 N\n0.532770 0.450279 0.540314 N\n",
"nsites": 36,
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"elements": [
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"formula_full": "Sr2 Cr14 N20",
"formula_reduced": "SrCr7N10",
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"energy": -326.56408309000005,
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"spacegroup": 7
},
{
"id": "mp-1105096",
"created_at": "2022-09-04T14:40:08.126144Z",
"structure_string": "K2 H4 Os1 O6\n1.0\n3.205783 3.205783 3.461968\n3.205783 -3.205783 -3.461968\n-3.205783 3.205783 -3.461968\nK H Os O\n2 4 1 6\ndirect\n0.500000 0.250000 0.750000 K\n0.500000 0.750000 0.250000 K\n0.655112 0.827556 0.827556 H\n0.344888 0.172444 0.172444 H\n0.000000 0.172444 0.827556 H\n0.000000 0.827556 0.172444 H\n0.000000 0.500000 0.500000 Os\n0.000000 0.238755 0.238755 O\n0.000000 0.761245 0.761245 O\n0.440819 0.720409 0.720409 O\n0.559181 0.279591 0.279591 O\n0.000000 0.279591 0.720409 O\n0.000000 0.720409 0.279591 O\n",
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"elements": [
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"H",
"Os",
"O"
],
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"density": 4.299143932649488,
"density_atomic": 0.09134653300318579,
"volume": 142.31519875578215,
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"formula_full": "K2 H4 Os1 O6",
"formula_reduced": "K2H4OsO6",
"formula_anonymous": "AB2C4D6",
"energy": -73.34376173,
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},
{
"id": "mp-1068462",
"created_at": "2022-09-04T14:40:08.129401Z",
"structure_string": "La2 S2\n1.0\n0.000000 -12.780278 0.000000\n-12.847577 0.000000 0.000000\n0.000000 0.000000 -90.953457\nLa S\n2 2\ndirect\n0.999823 0.000000 0.673714 La\n0.999823 0.000000 0.326286 La\n0.994377 0.000000 0.699483 S\n0.994377 0.000000 0.300517 S\n",
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"volume": 14934.15796138748,
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"formula_full": "La2 S2",
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{
"id": "mp-1174678",
"created_at": "2022-09-04T14:40:08.138882Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.133801 0.000000 0.000000\n0.680380 6.459926 0.000000\n1.903433 0.225702 7.492936\nLi Mn Co O\n8 2 4 14\ndirect\n0.917851 0.154305 0.635733 Li\n0.642893 0.709082 0.224310 Li\n0.509900 0.993080 0.498323 Li\n0.214977 0.563397 0.071281 Li\n0.063844 0.855086 0.365710 Li\n0.786811 0.428605 0.921576 Li\n0.365069 0.297308 0.779460 Li\n0.716786 0.568692 0.571374 Li\n0.000492 0.003533 0.001455 Mn\n0.571715 0.854597 0.853532 Mn\n0.428006 0.143296 0.143254 Co\n0.133566 0.708827 0.711437 Co\n0.855539 0.289283 0.287946 Co\n0.286184 0.437676 0.436231 Co\n0.267587 0.985410 0.767113 O\n0.964648 0.544616 0.315771 O\n0.821465 0.857291 0.625446 O\n0.552219 0.401337 0.189250 O\n0.364328 0.706905 0.475424 O\n0.082300 0.276180 0.049303 O\n0.652268 0.133152 0.903117 O\n0.614523 0.285090 0.509217 O\n0.349044 0.867963 0.100214 O\n0.170461 0.163858 0.371416 O\n0.884693 0.734596 0.945873 O\n0.772983 0.012391 0.243941 O\n0.458063 0.595076 0.824045 O\n0.051787 0.429367 0.678249 O\n",
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{
"id": "mp-1042536",
"created_at": "2022-09-04T14:40:08.141320Z",
"structure_string": "Co8 W16 O56\n1.0\n16.108273 0.000000 0.000000\n0.000000 7.069625 0.000000\n0.000000 2.509530 11.749450\nCo W O\n8 16 56\ndirect\n0.669888 0.355908 0.081038 Co\n0.169888 0.644092 0.418962 Co\n0.330112 0.644092 0.918962 Co\n0.830112 0.355908 0.581038 Co\n0.755093 0.003302 0.250260 Co\n0.255093 0.996698 0.249740 Co\n0.244907 0.996698 0.749740 Co\n0.744907 0.003302 0.750260 Co\n0.855148 0.153383 0.977238 W\n0.010872 0.579421 0.680460 W\n0.489128 0.579421 0.180460 W\n0.989128 0.420579 0.319540 W\n0.704979 0.476343 0.807305 W\n0.204979 0.523657 0.692695 W\n0.295021 0.523657 0.192695 W\n0.795021 0.476343 0.307305 W\n0.510872 0.420579 0.819540 W\n0.134208 0.120680 0.479342 W\n0.634208 0.879320 0.020658 W\n0.865792 0.879320 0.520658 W\n0.355148 0.846617 0.522762 W\n0.644852 0.153383 0.477238 W\n0.144852 0.846617 0.022762 W\n0.365792 0.120680 0.979342 W\n0.956964 0.238485 0.956053 O\n0.456964 0.761515 0.543947 O\n0.043036 0.761515 0.043947 O\n0.543036 0.238485 0.456053 O\n0.828868 0.004947 0.876853 O\n0.328868 0.995053 0.623147 O\n0.171132 0.995053 0.123147 O\n0.671132 0.004947 0.376853 O\n0.840004 0.027843 0.123767 O\n0.340004 0.972157 0.376233 O\n0.159996 0.972157 0.876233 O\n0.659996 0.027843 0.623767 O\n0.304000 0.334360 0.950983 O\n0.804000 0.665640 0.549017 O\n0.696000 0.665640 0.049017 O\n0.196000 0.334360 0.450983 O\n0.351785 0.006376 0.125670 O\n0.851785 0.993624 0.374330 O\n0.648215 0.993624 0.874330 O\n0.148215 0.006376 0.625670 O\n0.334711 0.950460 0.889794 O\n0.437858 0.604137 0.835522 O\n0.834711 0.049540 0.610206 O\n0.165289 0.950460 0.389794 O\n0.468910 0.293092 0.724269 O\n0.968910 0.706908 0.775731 O\n0.531090 0.706908 0.275731 O\n0.031090 0.293092 0.224269 O\n0.474535 0.217660 0.955318 O\n0.974535 0.782340 0.544682 O\n0.525465 0.782340 0.044682 O\n0.025465 0.217660 0.455318 O\n0.896708 0.541200 0.223765 O\n0.396708 0.458800 0.276235 O\n0.103292 0.458800 0.776235 O\n0.603292 0.541200 0.723765 O\n0.749209 0.322502 0.218102 O\n0.249209 0.677498 0.281898 O\n0.250791 0.677498 0.781898 O\n0.750791 0.322502 0.718102 O\n0.727332 0.358341 0.444964 O\n0.227332 0.641659 0.055036 O\n0.272668 0.641659 0.555036 O\n0.772668 0.358341 0.944964 O\n0.748888 0.707670 0.279887 O\n0.248888 0.292330 0.220113 O\n0.251112 0.292330 0.720113 O\n0.751112 0.707670 0.779887 O\n0.883452 0.399123 0.423967 O\n0.383452 0.600877 0.076033 O\n0.116548 0.600877 0.576033 O\n0.616548 0.399123 0.923967 O\n0.062142 0.604137 0.335522 O\n0.562142 0.395863 0.164478 O\n0.937858 0.395863 0.664478 O\n0.665289 0.049540 0.110206 O\n",
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"formula_full": "Co8 W16 O56",
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{
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{
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{
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{
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{
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}
]
}