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{
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{
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"formula_full": "Nd12 Al2 Fe26",
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{
"id": "mp-1097560",
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"structure_string": "Al2 Os1 Ru1\n1.0\n-4.860174 5.645070 8.308155\n4.860174 -5.645070 8.308155\n4.860174 5.645070 -8.308155\nAl Os Ru\n2 1 1\ndirect\n0.000000 0.250002 0.250002 Al\n0.000000 0.749998 0.749998 Al\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Al2 Os1 Ru1",
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{
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"structure_string": "Nd2 B4 C4\n1.0\n5.395505 0.000000 0.000000\n0.000000 5.395505 0.000000\n0.000000 0.000000 3.824147\nNd B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.137920 0.637920 0.500000 B\n0.637920 0.862080 0.500000 B\n0.862080 0.362080 0.500000 B\n0.362080 0.137920 0.500000 B\n0.839328 0.660672 0.500000 C\n0.339328 0.839328 0.500000 C\n0.660672 0.160672 0.500000 C\n0.160672 0.339328 0.500000 C\n",
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"formula_full": "Nd2 B4 C4",
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{
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"created_at": "2022-09-04T14:43:07.581827Z",
"structure_string": "Zn8 B4 O16\n1.0\n3.215629 0.000000 0.000000\n0.000000 9.342047 0.000000\n0.000000 0.000000 9.464171\nZn B O\n8 4 16\ndirect\n0.250000 0.070202 0.120592 Zn\n0.750000 0.929798 0.879408 Zn\n0.750000 0.570202 0.379408 Zn\n0.250000 0.429798 0.620592 Zn\n0.250000 0.691395 0.104647 Zn\n0.750000 0.308605 0.895353 Zn\n0.750000 0.191395 0.395353 Zn\n0.250000 0.808605 0.604647 Zn\n0.250000 0.376858 0.163889 B\n0.750000 0.623142 0.836111 B\n0.750000 0.876858 0.336111 B\n0.250000 0.123142 0.663889 B\n0.250000 0.251050 0.242659 O\n0.750000 0.748950 0.757341 O\n0.750000 0.751050 0.257341 O\n0.250000 0.248950 0.742659 O\n0.250000 0.509385 0.230190 O\n0.750000 0.490615 0.769810 O\n0.750000 0.009385 0.269810 O\n0.250000 0.990615 0.730190 O\n0.250000 0.370845 0.019031 O\n0.750000 0.629155 0.980969 O\n0.750000 0.870845 0.480969 O\n0.250000 0.129155 0.519031 O\n0.250000 0.615499 0.511688 O\n0.750000 0.384501 0.488312 O\n0.750000 0.115499 0.988312 O\n0.250000 0.884501 0.011688 O\n",
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{
"id": "mp-585202",
"created_at": "2022-09-04T14:43:07.403144Z",
"structure_string": "Ni16 P16 O60\n1.0\n6.980227 5.145166 0.000000\n-6.980227 5.145166 0.000000\n0.000000 4.118897 17.595279\nNi P O\n16 16 60\ndirect\n0.914228 0.267895 0.434062 Ni\n0.947728 0.052272 0.750000 Ni\n0.000000 0.500000 0.000000 Ni\n0.833749 0.166251 0.250000 Ni\n0.960577 0.849982 0.068250 Ni\n0.732105 0.085772 0.065938 Ni\n0.849982 0.960577 0.568250 Ni\n0.521738 0.478262 0.250000 Ni\n0.500000 0.000000 0.500000 Ni\n0.478262 0.521738 0.750000 Ni\n0.150018 0.039423 0.431750 Ni\n0.267895 0.914228 0.934062 Ni\n0.039423 0.150018 0.931750 Ni\n0.166251 0.833749 0.750000 Ni\n0.052272 0.947728 0.250000 Ni\n0.085772 0.732105 0.565938 Ni\n0.986759 0.685845 0.401321 P\n0.778952 0.439870 0.124883 P\n0.886572 0.774316 0.903187 P\n0.774316 0.886572 0.403187 P\n0.560130 0.221048 0.375117 P\n0.843712 0.719734 0.679750 P\n0.719734 0.843712 0.179750 P\n0.685845 0.986759 0.901321 P\n0.314155 0.013241 0.098679 P\n0.280266 0.156288 0.820250 P\n0.156288 0.280266 0.320250 P\n0.439870 0.778952 0.624883 P\n0.225684 0.113428 0.596813 P\n0.113428 0.225684 0.096813 P\n0.221048 0.560130 0.875117 P\n0.013241 0.314155 0.598679 P\n0.888816 0.002271 0.449351 O\n0.997729 0.111184 0.050649 O\n0.979143 0.287550 0.317600 O\n0.957597 0.506972 0.428083 O\n0.949706 0.253950 0.683308 O\n0.837999 0.384024 0.196516 O\n0.911830 0.604102 0.079521 O\n0.791513 0.097644 0.949581 O\n0.712450 0.020857 0.182400 O\n0.902356 0.208487 0.550419 O\n0.669125 0.213593 0.437388 O\n0.807129 0.714352 0.420801 O\n0.786407 0.330875 0.062612 O\n0.896991 0.829717 0.183257 O\n0.746050 0.050294 0.816692 O\n0.866765 0.597116 0.929412 O\n0.951658 0.837787 0.816748 O\n0.837787 0.951658 0.316748 O\n0.615976 0.162001 0.303484 O\n0.836070 0.717283 0.592642 O\n0.544199 0.391520 0.351634 O\n0.608480 0.455801 0.148366 O\n0.493028 0.042403 0.071917 O\n0.717283 0.836070 0.092642 O\n0.829717 0.896991 0.683257 O\n0.713971 0.585240 0.736808 O\n0.395898 0.088170 0.420479 O\n0.714352 0.807129 0.920801 O\n0.597116 0.866765 0.429412 O\n0.585240 0.713971 0.236808 O\n0.414760 0.286029 0.763192 O\n0.402884 0.133235 0.570588 O\n0.285648 0.192871 0.079199 O\n0.604102 0.911830 0.579521 O\n0.286029 0.414760 0.263192 O\n0.170283 0.103009 0.316743 O\n0.282717 0.163930 0.907358 O\n0.506972 0.957597 0.928083 O\n0.391520 0.544199 0.851634 O\n0.455801 0.608480 0.648366 O\n0.163930 0.282717 0.407358 O\n0.384024 0.837999 0.696516 O\n0.162213 0.048342 0.683252 O\n0.048342 0.162213 0.183252 O\n0.133235 0.402884 0.070588 O\n0.253950 0.949706 0.183308 O\n0.103009 0.170283 0.816743 O\n0.213593 0.669125 0.937388 O\n0.192871 0.285648 0.579199 O\n0.330875 0.786407 0.562612 O\n0.097644 0.791513 0.449581 O\n0.287550 0.979143 0.817600 O\n0.208487 0.902356 0.050419 O\n0.088170 0.395898 0.920479 O\n0.162001 0.615976 0.803484 O\n0.050294 0.746050 0.316692 O\n0.042403 0.493028 0.571917 O\n0.020857 0.712450 0.682400 O\n0.002270 0.888816 0.949351 O\n0.111184 0.997730 0.550649 O\n",
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{
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{
"id": "mp-1246522",
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"structure_string": "Mg8 Mn2 N8\n1.0\n5.386185 -0.045976 -0.050176\n1.963850 5.037750 0.144198\n1.389378 2.405892 7.815810\nMg Mn N\n8 2 8\ndirect\n0.733363 0.626147 0.199744 Mg\n0.266637 0.373853 0.800256 Mg\n0.748134 0.248919 0.997735 Mg\n0.251866 0.751081 0.002265 Mg\n0.736423 0.474698 0.580276 Mg\n0.263577 0.525302 0.419724 Mg\n0.255634 0.938503 0.589923 Mg\n0.744366 0.061497 0.410077 Mg\n0.723399 0.837896 0.769090 Mn\n0.276602 0.162104 0.230910 Mn\n0.988968 0.694196 0.612990 N\n0.011032 0.305804 0.387010 N\n0.843820 0.859376 0.954662 N\n0.156180 0.140624 0.045338 N\n0.507492 0.608395 0.801862 N\n0.492508 0.391605 0.198138 N\n0.496652 0.818956 0.377449 N\n0.503348 0.181044 0.622551 N\n",
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{
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"structure_string": "Cs1 Ac1 Te2\n1.0\n0.000000 4.226677 4.226677\n4.226677 0.000000 4.226677\n4.226677 4.226677 0.000000\nCs Ac Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Te\n0.250000 0.250000 0.250000 Te\n",
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{
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"created_at": "2022-09-04T14:43:08.444658Z",
"structure_string": "Mg12 Bi2 W2\n1.0\n5.185165 0.000000 0.000000\n0.000000 6.094034 0.000000\n0.000000 0.000000 10.839769\nMg Bi W\n12 2 2\ndirect\n0.500000 0.248033 0.416832 Mg\n0.500000 0.751967 0.416832 Mg\n0.000000 0.767333 0.085268 Mg\n0.000000 0.232667 0.085268 Mg\n0.000000 0.000000 0.324440 Mg\n0.000000 0.500000 0.337599 Mg\n0.500000 0.748033 0.916832 Mg\n0.500000 0.251967 0.916832 Mg\n0.000000 0.267333 0.585268 Mg\n0.000000 0.732667 0.585268 Mg\n0.000000 0.500000 0.824440 Mg\n0.000000 0.000000 0.837599 Mg\n0.500000 0.500000 0.169174 Bi\n0.500000 0.000000 0.669174 Bi\n0.500000 0.000000 0.164584 W\n0.500000 0.500000 0.664584 W\n",
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"spacegroup": 38
},
{
"id": "mp-1103434",
"created_at": "2022-09-04T14:43:07.401354Z",
"structure_string": "Sb4 Ru4 S4\n1.0\n0.000000 -6.187365 0.000000\n-5.812338 0.000000 2.311033\n-0.002632 0.000000 -6.267431\nSb Ru S\n4 4 4\ndirect\n0.129046 0.850927 0.129679 Sb\n0.629046 0.149073 0.370321 Sb\n0.870954 0.149073 0.870321 Sb\n0.370954 0.850927 0.629679 Sb\n0.512907 0.703609 0.197459 Ru\n0.012907 0.296391 0.302541 Ru\n0.487093 0.296391 0.802541 Ru\n0.987093 0.703609 0.697459 Ru\n0.866504 0.647368 0.321261 S\n0.366504 0.352632 0.178739 S\n0.133496 0.352632 0.678739 S\n0.633496 0.647368 0.821261 S\n",
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"density": 7.510204031422332,
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"volume": 225.43361198182873,
"volume_molar": 11.313274528248293,
"formula_full": "Sb4 Ru4 S4",
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},
{
"id": "mp-1194518",
"created_at": "2022-09-04T14:43:07.509484Z",
"structure_string": "V8 Se8 O36\n1.0\n7.317596 0.000000 0.000000\n0.000000 7.412592 0.000000\n0.000000 3.347930 14.129132\nV Se O\n8 8 36\ndirect\n0.665822 0.033243 0.071852 V\n0.165822 0.966757 0.428148 V\n0.334178 0.966757 0.928148 V\n0.834178 0.033243 0.571852 V\n0.378034 0.617510 0.132887 V\n0.878034 0.382490 0.367113 V\n0.621966 0.382490 0.867113 V\n0.121966 0.617510 0.632887 V\n0.817113 0.606527 0.128671 Se\n0.317113 0.393473 0.371329 Se\n0.182887 0.393473 0.871329 Se\n0.682887 0.606527 0.628671 Se\n0.231501 0.034032 0.139420 Se\n0.731501 0.965968 0.360580 Se\n0.768499 0.965968 0.860580 Se\n0.268499 0.034032 0.639420 Se\n0.202234 0.086380 0.017380 O\n0.702234 0.913620 0.482620 O\n0.797766 0.913620 0.982620 O\n0.297766 0.086380 0.517380 O\n0.605898 0.503192 0.116715 O\n0.105898 0.496808 0.383285 O\n0.394102 0.496808 0.883285 O\n0.894102 0.503192 0.616715 O\n0.441923 0.817040 0.032257 O\n0.941923 0.182960 0.467743 O\n0.558077 0.182960 0.967743 O\n0.058077 0.817040 0.532257 O\n0.820303 0.163906 0.102978 O\n0.320303 0.836094 0.397022 O\n0.179697 0.836094 0.897022 O\n0.679697 0.163906 0.602978 O\n0.734173 0.799857 0.163867 O\n0.234173 0.200143 0.336133 O\n0.265827 0.200143 0.836133 O\n0.765827 0.799857 0.663867 O\n0.466297 0.058650 0.154716 O\n0.966297 0.941350 0.345284 O\n0.533703 0.941350 0.845284 O\n0.033703 0.058650 0.654716 O\n0.900365 0.474720 0.233411 O\n0.400365 0.525280 0.266589 O\n0.099635 0.525280 0.766589 O\n0.599635 0.474720 0.733411 O\n0.205888 0.795306 0.166645 O\n0.705888 0.204694 0.333355 O\n0.794112 0.204694 0.833355 O\n0.294112 0.795306 0.666645 O\n0.239169 0.481993 0.094981 O\n0.739169 0.518007 0.405019 O\n0.760831 0.518007 0.905019 O\n0.260831 0.481993 0.594981 O\n",
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"elements": [
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"O"
],
"chemical_system": "O-Se-V",
"density": 3.499603275937977,
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"volume": 766.3973735646985,
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"formula_full": "V8 Se8 O36",
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"updated_at": "2021-11-28T01:36:13.694000Z",
"spacegroup": 14
}
]
}