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{
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"results": [
{
"id": "mp-1099788",
"created_at": "2022-09-04T14:42:21.900198Z",
"structure_string": "Sr2 Ca6 Mn7 Fe1 O24\n1.0\n5.425772 -5.427349 0.000000\n5.425772 5.427349 0.000000\n0.000000 0.000000 7.673094\nSr Ca Mn Fe O\n2 6 7 1 24\ndirect\n0.249837 0.249837 0.750137 Sr\n0.249837 0.249837 0.249863 Sr\n0.750092 0.249939 0.750003 Ca\n0.750098 0.750098 0.750071 Ca\n0.249939 0.750092 0.750003 Ca\n0.750092 0.249939 0.249997 Ca\n0.750098 0.750098 0.249929 Ca\n0.249939 0.750092 0.249997 Ca\n0.501207 0.998612 0.000000 Mn\n0.998612 0.501207 0.000000 Mn\n0.501127 0.501127 0.000000 Mn\n0.998558 0.998558 0.500000 Mn\n0.501085 0.998782 0.500000 Mn\n0.998782 0.501085 0.500000 Mn\n0.501225 0.501225 0.500000 Mn\n0.998655 0.998655 0.000000 Fe\n0.996678 0.996678 0.745412 O\n0.503551 0.996529 0.749178 O\n0.996529 0.503551 0.749178 O\n0.503489 0.503489 0.749724 O\n0.996678 0.996678 0.254588 O\n0.503551 0.996529 0.250822 O\n0.996529 0.503551 0.250822 O\n0.503489 0.503489 0.250276 O\n0.994414 0.254503 0.000000 O\n0.506284 0.250866 0.000000 O\n0.998770 0.745290 0.000000 O\n0.500958 0.749180 0.000000 O\n0.993672 0.250827 0.500000 O\n0.506349 0.250308 0.500000 O\n0.999270 0.749187 0.500000 O\n0.500707 0.749733 0.500000 O\n0.745290 0.998770 0.000000 O\n0.254503 0.994414 0.000000 O\n0.749180 0.500958 0.000000 O\n0.250866 0.506284 0.000000 O\n0.749187 0.999270 0.500000 O\n0.250827 0.993672 0.500000 O\n0.749733 0.500707 0.500000 O\n0.250308 0.506349 0.500000 O\n",
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"formula_full": "Sr2 Ca6 Mn7 Fe1 O24",
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"spacegroup": 38
},
{
"id": "mp-1221996",
"created_at": "2022-09-04T14:47:34.579934Z",
"structure_string": "Mn4 Co2 O8\n1.0\n-5.808135 -0.000002 0.000003\n0.000002 5.793492 0.009555\n-2.904064 2.889004 -4.695637\nMn Co O\n4 2 8\ndirect\n0.624873 0.374870 0.750240 Mn\n0.625027 0.375033 0.249991 Mn\n0.124984 0.375024 0.250002 Mn\n0.625010 0.875007 0.749988 Mn\n0.250125 0.749777 0.499747 Co\n0.999893 0.000239 0.000207 Co\n0.403126 0.130751 0.737663 O\n0.859216 0.130755 0.737660 O\n0.390798 0.619248 0.762305 O\n0.846897 0.619242 0.762306 O\n0.868145 0.139067 0.263706 O\n0.869684 0.595795 0.260631 O\n0.380354 0.154217 0.239290 O\n0.381868 0.610976 0.236264 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.888354385368711,
"density_atomic": 0.08851478229494308,
"volume": 158.16567173322676,
"volume_molar": 6.80354241841032,
"formula_full": "Mn4 Co2 O8",
"formula_reduced": "Mn2CoO4",
"formula_anonymous": "AB2C4",
"energy": -116.23216954,
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"updated_at": "2021-11-28T01:38:13.376000Z",
"spacegroup": 141
},
{
"id": "mp-1016821",
"created_at": "2022-09-04T14:42:49.456626Z",
"structure_string": "Ba1 Si1 O3\n1.0\n3.836937 0.000000 0.000000\n0.000000 3.836937 0.000000\n0.000000 0.000000 3.836937\nBa Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.273519937114947,
"density_atomic": 0.08851482173815213,
"volume": 56.48771473314591,
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"formula_full": "Ba1 Si1 O3",
"formula_reduced": "BaSiO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:11.641000Z",
"spacegroup": 221
},
{
"id": "mp-753929",
"created_at": "2022-09-04T14:42:41.215935Z",
"structure_string": "Li8 Mn4 O4 F8\n1.0\n0.000000 0.000001 4.173674\n-5.410045 9.002165 0.000003\n-5.412240 -3.002036 -0.000001\nLi Mn O F\n8 4 4 8\ndirect\n0.945552 0.582336 0.083347 Li\n0.945553 0.082334 0.583337 Li\n0.445554 0.750536 0.915263 Li\n0.445553 0.250535 0.415258 Li\n0.445552 0.417664 0.916674 Li\n0.445552 0.917662 0.416662 Li\n0.945554 0.249465 0.084756 Li\n0.945553 0.749466 0.584753 Li\n0.945436 0.416427 0.583590 Mn\n0.445443 0.083531 0.916321 Mn\n0.945441 0.916432 0.083601 Mn\n0.445417 0.583600 0.416382 Mn\n0.445393 0.905781 0.094284 O\n0.445390 0.405779 0.594298 O\n0.945395 0.094217 0.905709 O\n0.945391 0.594226 0.405718 O\n0.944925 0.739044 0.901722 F\n0.944921 0.239048 0.401720 F\n0.444947 0.581420 0.059335 F\n0.444944 0.081419 0.559316 F\n0.944940 0.418583 0.940685 F\n0.944953 0.918577 0.440679 F\n0.444923 0.260963 0.098298 F\n0.444921 0.760954 0.598291 F\n",
"nsites": 24,
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"elements": [
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"Mn",
"O",
"F"
],
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"density": 3.0087087376067316,
"density_atomic": 0.08851695434487657,
"volume": 271.13449821705416,
"volume_molar": 6.8033754714794545,
"formula_full": "Li8 Mn4 O4 F8",
"formula_reduced": "Li2MnOF2",
"formula_anonymous": "ABC2D2",
"energy": -151.48897756000002,
"energy_per_atom": -6.312040731666667,
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"updated_at": "2021-11-28T01:35:48.226000Z",
"spacegroup": 63
},
{
"id": "mp-772618",
"created_at": "2022-09-04T14:39:37.949115Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.699453 0.000000 0.000000\n-0.101907 8.685957 0.000000\n0.000649 -0.267680 10.095223\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.256631 0.084803 0.622863 Na\n0.998708 0.249807 0.372771 Na\n0.997478 0.251652 0.876172 Na\n0.500485 0.749977 0.625287 Na\n0.265054 0.078387 0.127258 Li\n0.473196 0.272096 0.384715 Li\n0.473859 0.272380 0.888598 Li\n0.521206 0.736168 0.118936 Li\n0.976378 0.736725 0.115795 Li\n0.975287 0.728525 0.612491 Li\n0.742832 0.912944 0.369889 Li\n0.749310 0.909994 0.875523 Li\n0.745218 0.354270 0.113877 Mn\n0.742703 0.360139 0.611180 Mn\n0.246038 0.645654 0.383794 Mn\n0.249197 0.648246 0.892835 Mn\n0.254353 0.406891 0.148053 P\n0.246296 0.414933 0.646317 P\n0.744975 0.594641 0.350248 P\n0.750144 0.594239 0.858114 P\n0.748813 0.039093 0.133567 C\n0.758068 0.044776 0.635494 C\n0.259225 0.948123 0.356815 C\n0.260700 0.956442 0.871583 C\n0.276837 0.095766 0.339009 O\n0.277555 0.102859 0.851125 O\n0.753526 0.082653 0.011621 O\n0.752254 0.082506 0.511837 O\n0.743143 0.141503 0.230250 O\n0.736662 0.150570 0.728586 O\n0.062410 0.313985 0.109640 O\n0.429513 0.308816 0.091223 O\n0.059044 0.315093 0.609593 O\n0.427266 0.326827 0.585645 O\n0.271986 0.418963 0.302385 O\n0.734306 0.427292 0.402206 O\n0.270178 0.425438 0.800450 O\n0.731931 0.427044 0.908707 O\n0.255561 0.574544 0.097211 O\n0.753227 0.582311 0.195120 O\n0.229498 0.580705 0.594559 O\n0.765977 0.582292 0.703560 O\n0.564302 0.694238 0.393005 O\n0.929784 0.685855 0.404214 O\n0.569404 0.696288 0.899613 O\n0.934041 0.683828 0.915569 O\n0.243622 0.855308 0.254188 O\n0.250340 0.859385 0.770788 O\n0.256384 0.892122 0.474517 O\n0.253061 0.905612 0.990943 O\n0.748819 0.894066 0.162603 O\n0.783213 0.903231 0.669655 O\n",
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],
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"volume": 587.4527437087866,
"volume_molar": 6.8033136778125325,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.68965576,
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"updated_at": "2021-11-28T01:34:41.936000Z",
"spacegroup": 1
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{
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"structure_string": "V4 W4 O16\n1.0\n4.566151 -0.012731 -0.312749\n-0.015150 4.999624 -0.023135\n0.815680 -0.059344 11.821095\nV W O\n4 4 16\ndirect\n0.503288 0.253891 0.937708 V\n0.001855 0.247911 0.437326 V\n0.002441 0.745956 0.563176 V\n0.500481 0.752934 0.063874 V\n0.000953 0.751260 0.821332 W\n0.496457 0.752038 0.322940 W\n0.500413 0.248470 0.677172 W\n0.996367 0.247553 0.178262 W\n0.262862 0.071518 0.813099 O\n0.770803 0.419120 0.304590 O\n0.739264 0.430326 0.812910 O\n0.779674 0.912903 0.696667 O\n0.228197 0.071152 0.306752 O\n0.273058 0.579081 0.192045 O\n0.221997 0.584292 0.697033 O\n0.729050 0.928208 0.189704 O\n0.247963 0.592347 0.934258 O\n0.752344 0.905982 0.432659 O\n0.752169 0.913974 0.934374 O\n0.760167 0.416543 0.561569 O\n0.243905 0.578355 0.436783 O\n0.255536 0.093978 0.063444 O\n0.236803 0.078334 0.561119 O\n0.743953 0.423876 0.061205 O\n",
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{
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"structure_string": "Co1 Cu1 P2 O7\n1.0\n4.516475 -0.034118 -0.834631\n-1.196022 5.111007 -1.104089\n-0.043777 0.032651 5.392588\nCo Cu P O\n1 1 2 7\ndirect\n0.718811 0.103250 0.284299 Co\n0.725901 0.481375 0.908760 Cu\n0.315988 0.581388 0.400966 P\n0.130718 0.993760 0.808270 P\n0.221629 0.761881 0.628674 O\n0.505055 0.415723 0.536396 O\n0.942471 0.857344 0.973735 O\n0.956863 0.143201 0.647989 O\n0.492555 0.742902 0.253412 O\n0.009168 0.413462 0.219211 O\n0.440942 0.172812 0.974490 O\n",
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{
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"created_at": "2022-09-04T14:48:18.403559Z",
"structure_string": "V12 Zn6 O24\n1.0\n3.034184 -5.255362 0.000000\n3.034184 5.255362 0.000000\n0.000000 0.000000 14.877839\nV Zn O\n12 6 24\ndirect\n0.164720 0.835280 0.833425 V\n0.164720 0.329440 0.833425 V\n0.498859 0.501141 0.499932 V\n0.670560 0.835280 0.833425 V\n0.498859 0.997719 0.499932 V\n0.666667 0.333333 0.334566 V\n0.666667 0.333333 0.709354 V\n0.832652 0.167348 0.167397 V\n0.002281 0.501141 0.499932 V\n0.832652 0.665305 0.167397 V\n0.334695 0.167348 0.167397 V\n0.333333 0.666667 0.042070 V\n0.666667 0.333333 0.954468 Zn\n0.000000 0.000000 0.619762 Zn\n0.333333 0.666667 0.665149 Zn\n0.333333 0.666667 0.293065 Zn\n0.000000 0.000000 0.999206 Zn\n0.000000 0.000000 0.376480 Zn\n0.844829 0.155171 0.910750 O\n0.000000 0.000000 0.759672 O\n0.844829 0.689658 0.910750 O\n0.310342 0.155171 0.910750 O\n0.177703 0.822297 0.574909 O\n0.016460 0.508230 0.755595 O\n0.333333 0.666667 0.425775 O\n0.491770 0.983540 0.755595 O\n0.333333 0.666667 0.908160 O\n0.177703 0.355406 0.574909 O\n0.644594 0.822297 0.574909 O\n0.491770 0.508230 0.755595 O\n0.515007 0.484993 0.247943 O\n0.360351 0.180176 0.421390 O\n0.819824 0.639649 0.421390 O\n0.666667 0.333333 0.094799 O\n0.666667 0.333333 0.578013 O\n0.515007 0.030015 0.247943 O\n0.969985 0.484993 0.247943 O\n0.819824 0.180176 0.421390 O\n0.679066 0.839533 0.089868 O\n0.160467 0.320934 0.089868 O\n0.000000 0.000000 0.238299 O\n0.160467 0.839533 0.089868 O\n",
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{
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