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{
"id": "mp-761472",
"created_at": "2022-09-04T14:46:21.770156Z",
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{
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},
{
"id": "mp-1217042",
"created_at": "2022-09-04T14:46:21.781057Z",
"structure_string": "Ti2 Al2 V2 C2\n1.0\n1.497653 -2.594011 0.000000\n1.497653 2.594011 0.000000\n0.000000 0.000000 13.413705\nTi Al V C\n2 2 2 2\ndirect\n0.666667 0.333333 0.412308 Ti\n0.333333 0.666667 0.587692 Ti\n0.666667 0.333333 0.758647 Al\n0.333333 0.666667 0.241353 Al\n0.333333 0.666667 0.919127 V\n0.666667 0.333333 0.080873 V\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"spacegroup": 164
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{
"id": "mp-850249",
"created_at": "2022-09-04T14:46:21.781625Z",
"structure_string": "Fe8 S10\n1.0\n7.842908 0.132703 -0.393072\n-0.122077 7.854016 0.230848\n0.284299 -0.164268 10.199464\nFe S\n8 10\ndirect\n0.292097 0.096496 0.996272 Fe\n0.594979 0.205013 0.995202 Fe\n0.900885 0.293827 0.004511 Fe\n0.204435 0.401952 0.005757 Fe\n0.707810 0.903421 0.996342 Fe\n0.404802 0.794549 0.994856 Fe\n0.099235 0.706100 0.004245 Fe\n0.795662 0.597753 0.005580 Fe\n0.790020 0.110297 0.875404 S\n0.108465 0.200971 0.124403 S\n0.386069 0.297795 0.876851 S\n0.704971 0.390469 0.122272 S\n0.996479 0.501789 0.883934 S\n0.203201 0.893574 0.874982 S\n0.898737 0.794512 0.124174 S\n0.607014 0.706220 0.876249 S\n0.301871 0.605546 0.122291 S\n0.503268 0.997717 0.116675 S\n",
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"formula_full": "Fe8 S10",
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{
"id": "mp-26384",
"created_at": "2022-09-04T14:46:21.786307Z",
"structure_string": "Ni8 P14 O48\n1.0\n10.348019 0.000000 0.000000\n-2.605281 10.072241 0.000000\n-3.406118 -4.918568 8.934441\nNi P O\n8 14 48\ndirect\n0.894576 0.503890 0.741376 Ni\n0.381543 0.999737 0.075892 Ni\n0.664328 0.508208 0.880593 Ni\n0.832153 0.983487 0.417675 Ni\n0.167847 0.016513 0.582325 Ni\n0.335672 0.491792 0.119407 Ni\n0.618457 0.000263 0.924108 Ni\n0.105424 0.496110 0.258624 Ni\n0.457999 0.243785 0.949732 P\n0.542001 0.756215 0.050268 P\n0.177586 0.727882 0.116316 P\n0.387829 0.253692 0.521048 P\n0.822414 0.272118 0.883684 P\n0.034505 0.260178 0.753555 P\n0.946687 0.201099 0.262808 P\n0.618966 0.192002 0.434627 P\n0.223102 0.233605 0.225114 P\n0.381034 0.807998 0.565373 P\n0.053313 0.798901 0.737192 P\n0.965495 0.739822 0.246445 P\n0.612171 0.746308 0.478952 P\n0.776898 0.766395 0.774886 P\n0.262963 0.121977 0.130010 O\n0.203905 0.866005 0.873376 O\n0.987109 0.627330 0.661935 O\n0.069058 0.643243 0.951157 O\n0.719521 0.357354 0.537939 O\n0.561962 0.647022 0.923140 O\n0.565665 0.147215 0.268909 O\n0.781405 0.634766 0.804942 O\n0.796095 0.133995 0.126624 O\n0.012891 0.372670 0.338065 O\n0.930942 0.356757 0.048843 O\n0.737037 0.878023 0.869990 O\n0.280479 0.642646 0.462061 O\n0.438038 0.352978 0.076860 O\n0.434335 0.852785 0.731091 O\n0.218595 0.365234 0.195058 O\n0.529012 0.848039 0.538673 O\n0.990466 0.624301 0.297708 O\n0.662976 0.688013 0.599200 O\n0.938222 0.856055 0.792859 O\n0.505846 0.609261 0.330771 O\n0.077094 0.864435 0.637820 O\n0.494191 0.123124 0.988802 O\n0.312348 0.916133 0.540891 O\n0.819268 0.652716 0.103334 O\n0.684479 0.140741 0.842827 O\n0.098907 0.807111 0.210940 O\n0.751997 0.846750 0.489834 O\n0.976866 0.879218 0.371824 O\n0.212347 0.616070 0.171178 O\n0.410182 0.642424 0.046767 O\n0.322359 0.155511 0.796824 O\n0.677641 0.844489 0.203176 O\n0.589818 0.357576 0.953233 O\n0.787653 0.383930 0.828822 O\n0.023134 0.120782 0.628176 O\n0.248003 0.153250 0.510166 O\n0.901093 0.192889 0.789060 O\n0.315521 0.859259 0.157173 O\n0.180732 0.347284 0.896666 O\n0.687652 0.083867 0.459109 O\n0.505809 0.876876 0.011198 O\n0.922906 0.135565 0.362180 O\n0.494154 0.390739 0.669229 O\n0.061778 0.143945 0.207141 O\n0.470988 0.151961 0.461327 O\n0.009534 0.375699 0.702292 O\n0.337024 0.311987 0.400800 O\n",
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"formula_full": "Ni8 P14 O48",
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{
"id": "mp-1077097",
"created_at": "2022-09-04T14:46:21.846399Z",
"structure_string": "Yb2 Zn2 Pb2\n1.0\n2.377860 -4.118574 0.000000\n2.377860 4.118574 0.000000\n0.000000 0.000000 7.578240\nYb Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.257662 Yb\n0.000000 0.000000 0.757662 Yb\n0.333333 0.666667 0.441474 Zn\n0.666667 0.333333 0.941474 Zn\n0.333333 0.666667 0.041864 Pb\n0.666667 0.333333 0.541864 Pb\n",
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{
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"structure_string": "K1 Al1 P4 H4 O14\n1.0\n4.955900 0.000000 0.000000\n2.093760 7.262526 0.000000\n0.869287 0.934259 7.765765\nK Al P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 Al\n0.419450 0.604663 0.225153 P\n0.580550 0.395337 0.774847 P\n0.313103 0.236337 0.316030 P\n0.686897 0.763663 0.683970 P\n0.127591 0.782274 0.410726 H\n0.872409 0.217726 0.589274 H\n0.313791 0.998005 0.621509 H\n0.686209 0.001995 0.378491 H\n0.165753 0.164682 0.478132 O\n0.834247 0.835318 0.521868 O\n0.161722 0.280040 0.151193 O\n0.838278 0.719960 0.848807 O\n0.239785 0.628091 0.073866 O\n0.760215 0.371909 0.926134 O\n0.378967 0.426046 0.353857 O\n0.621033 0.573954 0.646143 O\n0.272495 0.411617 0.821996 O\n0.727505 0.588383 0.178004 O\n0.307529 0.772703 0.332001 O\n0.692471 0.227297 0.667999 O\n0.390198 0.902517 0.721704 O\n0.609802 0.097483 0.278296 O\n",
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{
"id": "mp-1210815",
"created_at": "2022-09-04T14:46:21.801123Z",
"structure_string": "Lu6 Co4 Si6\n1.0\n2.026824 -5.094834 0.000000\n2.026824 5.094834 0.000000\n0.000000 0.000000 13.339038\nLu Co Si\n6 4 6\ndirect\n0.638684 0.361316 0.250000 Lu\n0.361316 0.638684 0.750000 Lu\n0.919962 0.080038 0.112513 Lu\n0.080038 0.919962 0.887487 Lu\n0.080038 0.919962 0.612513 Lu\n0.919962 0.080038 0.387487 Lu\n0.786887 0.213113 0.582669 Co\n0.213113 0.786887 0.417331 Co\n0.213113 0.786887 0.082669 Co\n0.786887 0.213113 0.917331 Co\n0.332929 0.667071 0.250000 Si\n0.667071 0.332929 0.750000 Si\n0.617158 0.382842 0.039269 Si\n0.382842 0.617158 0.960731 Si\n0.382842 0.617158 0.539269 Si\n0.617158 0.382842 0.460731 Si\n",
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"formula_full": "Lu6 Co4 Si6",
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{
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{
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"structure_string": "Ca6 Fe4 Se12 O36\n1.0\n13.508726 -4.322919 0.000000\n13.508726 4.322919 0.000000\n12.125351 0.000000 7.358612\nCa Fe Se O\n6 4 12 36\ndirect\n0.750000 0.159418 0.340582 Ca\n0.840582 0.659418 0.250000 Ca\n0.159418 0.340582 0.750000 Ca\n0.340582 0.750000 0.159418 Ca\n0.659418 0.250000 0.840582 Ca\n0.250000 0.840582 0.659418 Ca\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 Fe\n0.506211 0.088727 0.813639 Se\n0.911273 0.186361 0.493789 Se\n0.313639 0.588727 0.006211 Se\n0.186361 0.493789 0.911273 Se\n0.813639 0.506211 0.088727 Se\n0.411273 0.993789 0.686361 Se\n0.088727 0.813639 0.506211 Se\n0.686361 0.411273 0.993789 Se\n0.993789 0.686361 0.411273 Se\n0.006211 0.313639 0.588727 Se\n0.493789 0.911273 0.186361 Se\n0.588727 0.006211 0.313639 Se\n0.344136 0.315258 0.999000 O\n0.501000 0.184742 0.155864 O\n0.321039 0.594242 0.678258 O\n0.336280 0.048817 0.941116 O\n0.836280 0.441116 0.548817 O\n0.905758 0.178961 0.821742 O\n0.941116 0.336280 0.048817 O\n0.655864 0.684742 0.001000 O\n0.558884 0.451183 0.163720 O\n0.315258 0.999000 0.344136 O\n0.821040 0.178258 0.094242 O\n0.184742 0.155864 0.501000 O\n0.163720 0.558884 0.451183 O\n0.999000 0.344136 0.315258 O\n0.001000 0.655864 0.684742 O\n0.678258 0.321039 0.594242 O\n0.048817 0.941116 0.336280 O\n0.155864 0.501000 0.184742 O\n0.663720 0.951183 0.058884 O\n0.178258 0.094242 0.821040 O\n0.594242 0.678258 0.321039 O\n0.821742 0.905758 0.178961 O\n0.815258 0.844136 0.499000 O\n0.405758 0.321742 0.678960 O\n0.678961 0.405758 0.321742 O\n0.548817 0.836280 0.441116 O\n0.844136 0.499000 0.815258 O\n0.058884 0.663720 0.951183 O\n0.321742 0.678960 0.405758 O\n0.451183 0.163720 0.558884 O\n0.499000 0.815258 0.844136 O\n0.684742 0.001000 0.655864 O\n0.951183 0.058884 0.663720 O\n0.441116 0.548817 0.836280 O\n0.178961 0.821742 0.905758 O\n0.094242 0.821039 0.178258 O\n",
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"density_atomic": 0.06748552061360366,
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"volume_molar": 8.923604212050877,
"formula_full": "Ca6 Fe4 Se12 O36",
"formula_reduced": "Ca3Fe2(SeO3)6",
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"updated_at": "2021-11-28T01:37:33.197000Z",
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},
{
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"structure_string": "Na2 Ir1 N2\n1.0\n0.000000 -3.155258 0.000000\n-4.028722 0.000000 0.000000\n2.014362 1.577629 -6.255779\nNa Ir N\n2 1 2\ndirect\n0.841790 0.841790 0.183581 Na\n0.158210 0.158210 0.816419 Na\n0.500000 0.500000 0.500000 Ir\n0.356972 0.356972 0.213943 N\n0.643028 0.643028 0.786057 N\n",
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"volume": 79.52131891937888,
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"formula_full": "Na2 Ir1 N2",
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"updated_at": "2021-11-28T01:37:35.034000Z",
"spacegroup": 71
},
{
"id": "mp-11820",
"created_at": "2022-09-04T14:46:21.818116Z",
"structure_string": "Ba4 Na8\n1.0\n3.655920 -6.332239 0.000000\n3.655920 6.332239 0.000000\n0.000000 0.000000 11.857395\nBa Na\n4 8\ndirect\n0.333333 0.666667 0.438628 Ba\n0.666667 0.333333 0.938628 Ba\n0.666667 0.333333 0.561372 Ba\n0.333333 0.666667 0.061372 Ba\n0.169083 0.338167 0.750000 Na\n0.830917 0.169083 0.250000 Na\n0.338167 0.169083 0.250000 Na\n0.661833 0.830917 0.750000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.830917 0.661833 0.250000 Na\n0.169083 0.830917 0.750000 Na\n",
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"formula_full": "Ba4 Na8",
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"updated_at": "2021-11-28T01:37:32.047000Z",
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}
]
}