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{
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{
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{
"id": "mp-1180282",
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"structure_string": "N4 O4\n1.0\n4.273091 0.000000 0.000000\n0.000000 4.403488 0.000000\n0.000000 0.000000 6.837448\nN O\n4 4\ndirect\n0.270990 0.031706 0.878250 N\n0.770990 0.468294 0.121750 N\n0.229010 0.968294 0.378250 N\n0.729010 0.531706 0.621750 N\n0.243678 0.288155 0.839381 O\n0.743678 0.211845 0.160619 O\n0.256322 0.711845 0.339381 O\n0.756322 0.788155 0.660619 O\n",
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{
"id": "mp-1080639",
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"structure_string": "Ce16 Se32\n1.0\n8.658823 -10.575628 0.000000\n8.658823 10.575628 0.000000\n0.000000 0.000000 23.503536\nCe Se\n16 32\ndirect\n0.187951 0.587052 0.319120 Ce\n0.587052 0.187951 0.680880 Ce\n0.812049 0.412948 0.319120 Ce\n0.412948 0.812049 0.680880 Ce\n0.312028 0.909610 0.183809 Ce\n0.909610 0.312028 0.816191 Ce\n0.687972 0.090390 0.183809 Ce\n0.090390 0.687972 0.816191 Ce\n0.338439 0.661561 0.500000 Ce\n0.661561 0.338439 0.500000 Ce\n0.500000 0.500000 0.365708 Ce\n0.500000 0.500000 0.634292 Ce\n0.000000 0.000000 0.139716 Ce\n0.000000 0.000000 0.860284 Ce\n0.160281 0.839719 0.000000 Ce\n0.839719 0.160281 0.000000 Ce\n0.000000 0.500000 0.285201 Se\n0.500000 0.000000 0.714799 Se\n0.253203 0.747582 0.251337 Se\n0.747582 0.253203 0.748663 Se\n0.746797 0.252418 0.251337 Se\n0.252418 0.746797 0.748663 Se\n0.177420 0.641413 0.429662 Se\n0.641413 0.177420 0.570338 Se\n0.822580 0.358587 0.429662 Se\n0.358587 0.822580 0.570338 Se\n0.323874 0.467917 0.307529 Se\n0.467917 0.323874 0.692471 Se\n0.676126 0.532083 0.307529 Se\n0.532083 0.676126 0.692471 Se\n0.318858 0.858563 0.071992 Se\n0.858563 0.318858 0.928008 Se\n0.681142 0.141437 0.071992 Se\n0.141437 0.681142 0.928008 Se\n0.174513 0.026060 0.199195 Se\n0.026060 0.174513 0.800805 Se\n0.825487 0.973940 0.199195 Se\n0.973940 0.825487 0.800805 Se\n0.497152 0.663529 0.430328 Se\n0.663529 0.497152 0.569672 Se\n0.502848 0.336471 0.430328 Se\n0.336471 0.502848 0.569672 Se\n0.500000 0.000000 0.216946 Se\n0.000000 0.500000 0.783054 Se\n0.993226 0.161929 0.073801 Se\n0.161929 0.993226 0.926199 Se\n0.006774 0.838071 0.073801 Se\n0.838071 0.006774 0.926199 Se\n",
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{
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{
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{
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{
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"structure_string": "Er20 Si16\n1.0\n7.599294 0.000000 0.000000\n0.000000 7.420212 0.000000\n0.000000 0.877992 14.430469\nEr Si\n20 16\ndirect\n0.822276 0.326949 0.377534 Er\n0.322276 0.173051 0.622466 Er\n0.177724 0.673051 0.622466 Er\n0.677724 0.826949 0.377534 Er\n0.665761 0.855143 0.120377 Er\n0.165761 0.644857 0.879623 Er\n0.334239 0.144857 0.879623 Er\n0.834239 0.355143 0.120377 Er\n0.683358 0.522323 0.600893 Er\n0.183358 0.977677 0.399107 Er\n0.316642 0.477677 0.399107 Er\n0.816642 0.022323 0.600893 Er\n0.680547 0.495418 0.900643 Er\n0.180547 0.004582 0.099357 Er\n0.319453 0.504582 0.099357 Er\n0.819453 0.995418 0.900643 Er\n0.504931 0.825973 0.753893 Er\n0.004931 0.674027 0.246107 Er\n0.495069 0.174027 0.246107 Er\n0.995069 0.325973 0.753893 Er\n0.971958 0.647241 0.458853 Si\n0.471958 0.852759 0.541147 Si\n0.028042 0.352759 0.541147 Si\n0.528042 0.147241 0.458853 Si\n0.964994 0.703136 0.041708 Si\n0.464994 0.796864 0.958292 Si\n0.035006 0.296864 0.958292 Si\n0.535006 0.203136 0.041708 Si\n0.869347 0.710770 0.748087 Si\n0.369347 0.789230 0.251913 Si\n0.130653 0.289230 0.251913 Si\n0.630653 0.210770 0.748087 Si\n0.392309 0.454707 0.748009 Si\n0.892309 0.045293 0.251991 Si\n0.607691 0.545293 0.251991 Si\n0.107691 0.954707 0.748009 Si\n",
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"elements": [
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],
"chemical_system": "Er-Si",
"density": 7.743532793911429,
"density_atomic": 0.04424177006869155,
"volume": 813.7106617593498,
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"formula_full": "Er20 Si16",
"formula_reduced": "Er5Si4",
"formula_anonymous": "A4B5",
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"energy_uncorrected": -204.96702853,
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"updated_at": "2021-11-28T01:38:30.368000Z",
"spacegroup": 14
},
{
"id": "mp-1188018",
"created_at": "2022-09-04T14:48:12.822031Z",
"structure_string": "Zr6 Al2\n1.0\n3.105883 -5.379547 0.000000\n3.105883 5.379547 0.000000\n0.000000 0.000000 5.076845\nZr Al\n6 2\ndirect\n0.171480 0.342959 0.250000 Zr\n0.657041 0.828520 0.250000 Zr\n0.171480 0.828520 0.250000 Zr\n0.828520 0.657041 0.750000 Zr\n0.342959 0.171480 0.750000 Zr\n0.828520 0.171480 0.750000 Zr\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n",
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],
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"density": 5.885599621244517,
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"volume": 169.65032570505187,
"volume_molar": 12.770726767195857,
"formula_full": "Zr6 Al2",
"formula_reduced": "Zr3Al",
"formula_anonymous": "AB3",
"energy": -61.0615731,
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"energy_above_hull": null,
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"energy_uncorrected": -61.0615731,
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"updated_at": "2021-11-28T01:38:43.422000Z",
"spacegroup": 194
},
{
"id": "mp-1222270",
"created_at": "2022-09-04T14:48:08.551986Z",
"structure_string": "Li1 Mg1\n1.0\n1.730789 -2.464336 0.000000\n1.730789 2.464336 0.000000\n0.000000 0.000000 4.901858\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Li-Mg",
"density": 1.240819917832041,
"density_atomic": 0.047829432283034524,
"volume": 41.815256935621534,
"volume_molar": 12.590868159093956,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
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"total_magnetization": 9.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.850000Z",
"spacegroup": 65
}
]
}