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{
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"structure_string": "Ce4 Cu24\n1.0\n5.026417 0.000000 0.000000\n0.000000 8.059547 0.000000\n0.000000 0.000000 10.093240\nCe Cu\n4 24\ndirect\n0.250000 0.259436 0.564743 Ce\n0.750000 0.740564 0.435257 Ce\n0.250000 0.759436 0.935257 Ce\n0.750000 0.240564 0.064743 Ce\n0.250000 0.900049 0.484310 Cu\n0.750000 0.099951 0.515690 Cu\n0.250000 0.400049 0.015690 Cu\n0.750000 0.599951 0.984310 Cu\n0.505148 0.064524 0.308307 Cu\n0.005148 0.935476 0.691693 Cu\n0.994852 0.564524 0.191693 Cu\n0.494852 0.435476 0.808307 Cu\n0.494852 0.935476 0.691693 Cu\n0.994852 0.064524 0.308307 Cu\n0.005148 0.435476 0.808307 Cu\n0.505148 0.564524 0.191693 Cu\n0.750000 0.354069 0.356682 Cu\n0.250000 0.645931 0.643318 Cu\n0.750000 0.854069 0.143318 Cu\n0.250000 0.145931 0.856682 Cu\n0.750000 0.682542 0.743929 Cu\n0.250000 0.317458 0.256071 Cu\n0.750000 0.182542 0.756071 Cu\n0.250000 0.817458 0.243929 Cu\n0.750000 0.938324 0.905081 Cu\n0.250000 0.061676 0.094919 Cu\n0.750000 0.438324 0.594919 Cu\n0.250000 0.561676 0.405081 Cu\n",
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{
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"structure_string": "Sr1 La1 Mg6\n1.0\n3.592609 -5.828337 0.000000\n3.592609 5.828337 0.000000\n0.000000 0.000000 5.453152\nSr La Mg\n1 1 6\ndirect\n0.651901 0.348099 0.500000 Sr\n0.849589 0.150411 0.000000 La\n0.840468 0.669481 0.000000 Mg\n0.330519 0.159532 0.000000 Mg\n0.341679 0.658321 0.000000 Mg\n0.666116 0.839963 0.500000 Mg\n0.160037 0.333884 0.500000 Mg\n0.159691 0.840309 0.500000 Mg\n",
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{
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{
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"structure_string": "Na2 Lu2 Ti4 O12\n1.0\n5.267589 0.000000 0.000000\n0.000000 5.513606 0.000000\n0.000000 0.000000 7.595796\nNa Lu Ti O\n2 2 4 12\ndirect\n0.490544 0.705286 0.500000 Na\n0.990544 0.294714 0.000000 Na\n0.019706 0.177385 0.500000 Lu\n0.519706 0.822615 0.000000 Lu\n0.507269 0.261351 0.751741 Ti\n0.007269 0.738649 0.251741 Ti\n0.507269 0.261351 0.248259 Ti\n0.007269 0.738649 0.748259 Ti\n0.920785 0.782889 0.500000 O\n0.615026 0.277262 0.500000 O\n0.115026 0.722738 0.000000 O\n0.420785 0.217111 0.000000 O\n0.184971 0.440251 0.692853 O\n0.284729 0.963477 0.294535 O\n0.784729 0.036523 0.205465 O\n0.684971 0.559749 0.807147 O\n0.784729 0.036523 0.794535 O\n0.684971 0.559749 0.192853 O\n0.184971 0.440251 0.307147 O\n0.284729 0.963477 0.705465 O\n",
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"elements": [
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],
"chemical_system": "Lu-Na-O-Ti",
"density": 5.866435456580045,
"density_atomic": 0.09065861767135644,
"volume": 220.60781990413022,
"volume_molar": 6.64265672109701,
"formula_full": "Na2 Lu2 Ti4 O12",
"formula_reduced": "NaLuTi2O6",
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"spacegroup": 31
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{
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"formula_full": "In1 Pt3",
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"updated_at": "2021-11-28T01:35:30.745000Z",
"spacegroup": 221
},
{
"id": "mp-1245954",
"created_at": "2022-09-04T14:41:51.869762Z",
"structure_string": "Sr6 W6 N10\n1.0\n6.135620 -0.491429 -0.111250\n-1.296078 7.855779 0.000814\n-2.049858 -3.020021 7.574116\nSr W N\n6 6 10\ndirect\n0.753576 0.449702 0.600885 Sr\n0.246424 0.550298 0.399115 Sr\n0.652556 0.854583 0.885029 Sr\n0.347444 0.145417 0.114971 Sr\n0.679790 0.681350 0.232665 Sr\n0.320210 0.318650 0.767335 Sr\n0.903347 0.307411 0.958757 W\n0.096653 0.692589 0.041243 W\n0.722148 0.019603 0.592824 W\n0.277852 0.980397 0.407176 W\n0.089482 0.878060 0.676060 W\n0.910518 0.121940 0.323940 W\n0.995915 0.082517 0.834056 N\n0.004085 0.917483 0.165944 N\n0.721917 0.749763 0.564389 N\n0.278083 0.250237 0.435611 N\n0.763238 0.516942 0.929693 N\n0.236762 0.483058 0.070307 N\n0.399876 0.944606 0.636814 N\n0.600124 0.055394 0.363186 N\n0.188554 0.776832 0.868508 N\n0.811446 0.223168 0.131492 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"W",
"N"
],
"chemical_system": "N-Sr-W",
"density": 8.203622173997148,
"density_atomic": 0.06144603654265212,
"volume": 358.03773909369943,
"volume_molar": 9.800698464610967,
"formula_full": "Sr6 W6 N10",
"formula_reduced": "Sr3W3N5",
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"updated_at": "2021-11-28T01:35:40.623000Z",
"spacegroup": 2
}
]
}