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{
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{
"id": "mp-1901",
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"structure_string": "Na2 O4\n1.0\n3.474027 0.000000 0.000000\n0.000000 4.229644 0.000000\n0.000000 0.000000 5.674662\nNa O\n2 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.384124 0.917941 O\n0.500000 0.615876 0.082059 O\n0.000000 0.115876 0.417941 O\n0.000000 0.884124 0.582059 O\n",
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{
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"formula_full": "Al10 Fe6 O24",
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"energy": -314.80673163,
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"spacegroup": 8
},
{
"id": "mp-1192000",
"created_at": "2022-09-04T14:43:13.812798Z",
"structure_string": "Cs4 H12 Au4 N4\n1.0\n3.588028 3.806276 0.000000\n-3.588028 3.806276 0.000000\n0.000000 1.233515 18.435543\nCs H Au N\n4 12 4 4\ndirect\n0.768915 0.016492 0.906145 Cs\n0.983508 0.231085 0.593855 Cs\n0.231085 0.983508 0.093855 Cs\n0.016492 0.768915 0.406145 Cs\n0.883142 0.660386 0.744662 H\n0.339614 0.116858 0.755338 H\n0.116858 0.339614 0.255338 H\n0.660386 0.883142 0.244662 H\n0.185166 0.571976 0.733850 H\n0.428024 0.814834 0.766150 H\n0.814834 0.428024 0.266150 H\n0.571976 0.185166 0.233850 H\n0.022410 0.470752 0.805830 H\n0.529248 0.977590 0.694170 H\n0.977590 0.529248 0.194170 H\n0.470752 0.022410 0.305830 H\n0.735143 0.491789 0.049227 Au\n0.508211 0.264857 0.450773 Au\n0.264857 0.508211 0.950773 Au\n0.491789 0.735143 0.549227 Au\n0.010720 0.505419 0.750674 N\n0.494581 0.989280 0.749326 N\n0.989280 0.494581 0.249326 N\n0.505419 0.010720 0.250674 N\n",
"nsites": 24,
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"Au",
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"density_atomic": 0.047661665256449604,
"volume": 503.5493382546533,
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"formula_full": "Cs4 H12 Au4 N4",
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"spacegroup": 15
},
{
"id": "mp-1207988",
"created_at": "2022-09-04T14:43:13.780827Z",
"structure_string": "Tm4 Al18 Ir6\n1.0\n3.781555 -6.508556 0.000000\n3.781555 6.508556 0.000000\n0.000000 0.000000 9.423880\nTm Al Ir\n4 18 6\ndirect\n0.995435 0.669520 0.250000 Tm\n0.004565 0.330480 0.750000 Tm\n0.669520 0.995435 0.250000 Tm\n0.330480 0.004565 0.750000 Tm\n0.126212 0.126212 0.250000 Al\n0.873788 0.873788 0.750000 Al\n0.000859 0.334719 0.074124 Al\n0.999141 0.665281 0.925876 Al\n0.999141 0.665281 0.574124 Al\n0.334719 0.000859 0.425876 Al\n0.000859 0.334719 0.425876 Al\n0.665281 0.999141 0.574124 Al\n0.665281 0.999141 0.925876 Al\n0.334719 0.000859 0.074124 Al\n0.333193 0.333193 0.554987 Al\n0.666807 0.666807 0.445013 Al\n0.666807 0.666807 0.054987 Al\n0.333193 0.333193 0.945013 Al\n0.337736 0.547457 0.250000 Al\n0.662264 0.452543 0.750000 Al\n0.547457 0.337736 0.250000 Al\n0.452543 0.662264 0.750000 Al\n0.672179 0.327821 0.000000 Ir\n0.327821 0.672179 0.000000 Ir\n0.327821 0.672179 0.500000 Ir\n0.672179 0.327821 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
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"elements": [
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"Al",
"Ir"
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"chemical_system": "Al-Ir-Tm",
"density": 8.285719464894827,
"density_atomic": 0.06035916471962861,
"volume": 463.8897859183676,
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"formula_full": "Tm4 Al18 Ir6",
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"spacegroup": 63
},
{
"id": "mp-1410375",
"created_at": "2022-09-04T14:43:13.781746Z",
"structure_string": "Mg4 Fe4 O8\n1.0\n1.549849 8.104308 0.000000\n-1.549849 8.104308 0.000000\n0.000000 6.020788 7.847601\nMg Fe O\n4 4 8\ndirect\n0.317674 0.317674 0.236854 Mg\n0.682326 0.682326 0.763146 Mg\n0.047944 0.047944 0.115577 Mg\n0.952056 0.952056 0.884423 Mg\n0.590156 0.590156 0.561503 Fe\n0.180173 0.180173 0.175781 Fe\n0.819827 0.819827 0.824219 Fe\n0.409844 0.409844 0.438497 Fe\n0.834684 0.834684 0.594855 O\n0.438033 0.438033 0.766776 O\n0.561967 0.561967 0.233224 O\n0.165316 0.165316 0.405145 O\n0.097133 0.097133 0.774455 O\n0.797813 0.797813 0.080612 O\n0.902867 0.902867 0.225545 O\n0.202187 0.202187 0.919388 O\n",
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"elements": [
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],
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"density": 3.7786049138999025,
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"volume": 197.13885724041415,
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"formula_full": "Mg4 Fe4 O8",
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"spacegroup": 12
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{
"id": "mp-1214176",
"created_at": "2022-09-04T14:43:13.792621Z",
"structure_string": "Ca8 B20 Cl4 O36\n1.0\n6.346291 0.000000 0.000000\n0.000000 11.276610 0.000000\n0.000000 0.000000 11.414669\nCa B Cl O\n8 20 4 36\ndirect\n0.149795 0.037030 0.746213 Ca\n0.149795 0.962970 0.253787 Ca\n0.649795 0.537030 0.753787 Ca\n0.649795 0.462970 0.246213 Ca\n0.317909 0.254775 0.467539 Ca\n0.317909 0.745225 0.532461 Ca\n0.817909 0.754775 0.032461 Ca\n0.817909 0.245225 0.967539 Ca\n0.314391 0.721305 0.194605 B\n0.314391 0.278695 0.805395 B\n0.814391 0.221305 0.305395 B\n0.814391 0.778695 0.694605 B\n0.356408 0.247974 0.026736 B\n0.356408 0.752026 0.973264 B\n0.856408 0.747974 0.473264 B\n0.856408 0.252026 0.526736 B\n0.191842 0.512495 0.236460 B\n0.191842 0.487505 0.763540 B\n0.691842 0.012495 0.263540 B\n0.691842 0.987505 0.736460 B\n0.455547 0.178897 0.226530 B\n0.455547 0.821103 0.773470 B\n0.955547 0.678897 0.273470 B\n0.955547 0.321103 0.726530 B\n0.128632 0.290516 0.193023 B\n0.128632 0.709484 0.806977 B\n0.628632 0.790516 0.306977 B\n0.628632 0.209484 0.693023 B\n0.997826 0.000000 0.000000 Cl\n0.497826 0.500000 0.500000 Cl\n0.234475 0.000000 0.500000 Cl\n0.734475 0.500000 0.000000 Cl\n0.512523 0.217754 0.106101 O\n0.512523 0.782246 0.893899 O\n0.012523 0.717754 0.393899 O\n0.012523 0.282246 0.606101 O\n0.424686 0.756956 0.086595 O\n0.424686 0.243044 0.913405 O\n0.924686 0.256956 0.413405 O\n0.924686 0.743044 0.586595 O\n0.350675 0.592279 0.214506 O\n0.350675 0.407721 0.785494 O\n0.850675 0.092279 0.285494 O\n0.850675 0.907721 0.714506 O\n0.585137 0.245714 0.312962 O\n0.585137 0.754286 0.687038 O\n0.085137 0.745714 0.187038 O\n0.085137 0.254286 0.812962 O\n0.401754 0.205278 0.710274 O\n0.401754 0.794722 0.289726 O\n0.901754 0.705278 0.789726 O\n0.901754 0.294722 0.210274 O\n0.492063 0.048676 0.236116 O\n0.492063 0.951324 0.763884 O\n0.992063 0.548676 0.263884 O\n0.992063 0.451324 0.736116 O\n0.232606 0.190344 0.252305 O\n0.232606 0.809656 0.747695 O\n0.732606 0.690344 0.247695 O\n0.732606 0.309656 0.752305 O\n0.158260 0.280984 0.061971 O\n0.158260 0.719016 0.938029 O\n0.658260 0.780984 0.438029 O\n0.658260 0.219016 0.561971 O\n0.250372 0.396328 0.234967 O\n0.250372 0.603672 0.765033 O\n0.750372 0.896328 0.265033 O\n0.750372 0.103672 0.734967 O\n",
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"formula_full": "Ca8 B20 Cl4 O36",
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{
"id": "mp-569247",
"created_at": "2022-09-04T14:43:13.801623Z",
"structure_string": "Zr1 Fe2 Si2\n1.0\n-1.925428 1.925428 4.668282\n1.925428 -1.925428 4.668282\n1.925428 1.925428 -4.668282\nZr Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.371572 0.371572 0.000000 Si\n0.628428 0.628428 0.000000 Si\n",
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{
"id": "mp-773604",
"created_at": "2022-09-04T14:43:13.952727Z",
"structure_string": "Na12 Co4 B8 O24\n1.0\n9.530435 0.000000 0.000000\n0.000000 5.540731 0.000000\n0.000000 4.797084 10.459029\nNa Co B O\n12 4 8 24\ndirect\n0.971505 0.495299 0.344554 Na\n0.664010 0.459635 0.377144 Na\n0.991092 0.924084 0.887557 Na\n0.164010 0.540365 0.122856 Na\n0.491092 0.075916 0.612443 Na\n0.471505 0.504701 0.155446 Na\n0.528495 0.495299 0.844554 Na\n0.508908 0.924084 0.387557 Na\n0.835990 0.459635 0.877144 Na\n0.008908 0.075916 0.112443 Na\n0.335990 0.540365 0.622856 Na\n0.028495 0.504701 0.655446 Na\n0.326908 0.978116 0.874554 Co\n0.826908 0.021884 0.625446 Co\n0.173092 0.978116 0.374554 Co\n0.673092 0.021884 0.125446 Co\n0.312748 0.449762 0.380960 B\n0.652262 0.973721 0.869697 B\n0.812748 0.550238 0.119040 B\n0.152262 0.026279 0.630303 B\n0.847738 0.973721 0.369697 B\n0.187252 0.449762 0.880960 B\n0.347738 0.026279 0.130303 B\n0.687252 0.550238 0.619040 B\n0.326754 0.870543 0.064035 O\n0.701197 0.324015 0.595106 O\n0.940043 0.668978 0.113068 O\n0.261588 0.112240 0.681307 O\n0.692573 0.653402 0.151728 O\n0.013915 0.097538 0.649105 O\n0.192573 0.346598 0.348272 O\n0.513915 0.902462 0.850895 O\n0.440043 0.331022 0.386932 O\n0.761588 0.887760 0.818693 O\n0.826754 0.129457 0.435965 O\n0.201197 0.675985 0.904894 O\n0.798803 0.324015 0.095106 O\n0.173246 0.870543 0.564035 O\n0.238412 0.112240 0.181307 O\n0.559957 0.668978 0.613068 O\n0.486085 0.097538 0.149105 O\n0.807427 0.653402 0.651728 O\n0.986085 0.902462 0.350895 O\n0.307427 0.346598 0.848272 O\n0.738412 0.887760 0.318693 O\n0.059957 0.331022 0.886932 O\n0.298803 0.675985 0.404894 O\n0.673246 0.129457 0.935965 O\n",
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{
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{
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{
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{
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}
]
}