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{
"count": 146323,
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"results": [
{
"id": "mp-1099653",
"created_at": "2022-09-04T14:39:36.037773Z",
"structure_string": "Sr8 Ca24 Fe4 Co28 O80\n1.0\n-0.005044 -0.001664 10.707882\n11.188928 0.005784 -0.004448\n-5.584059 15.341254 -5.354696\nSr Ca Fe Co O\n8 24 4 28 80\ndirect\n0.307801 0.563553 0.607630 Sr\n0.806330 0.061999 0.610210 Sr\n0.198462 0.439246 0.893653 Sr\n0.052959 0.291173 0.607770 Sr\n0.056414 0.799387 0.610493 Sr\n0.561442 0.297682 0.609689 Sr\n0.451113 0.204306 0.891568 Sr\n0.941332 0.199400 0.383657 Sr\n0.305448 0.063880 0.110429 Ca\n0.304958 0.059673 0.604839 Ca\n0.306745 0.570320 0.111831 Ca\n0.805455 0.067532 0.107577 Ca\n0.803798 0.566002 0.110483 Ca\n0.803268 0.566227 0.606867 Ca\n0.197914 0.433646 0.387981 Ca\n0.197154 0.926482 0.389177 Ca\n0.195934 0.933334 0.895720 Ca\n0.696605 0.436360 0.390662 Ca\n0.699061 0.430543 0.895642 Ca\n0.692662 0.935694 0.389015 Ca\n0.697938 0.938720 0.892212 Ca\n0.053367 0.291320 0.110567 Ca\n0.059675 0.792867 0.110520 Ca\n0.556899 0.294543 0.111921 Ca\n0.552756 0.795176 0.110822 Ca\n0.555314 0.795527 0.607016 Ca\n0.449362 0.207571 0.388155 Ca\n0.445085 0.707005 0.389447 Ca\n0.442933 0.714728 0.895498 Ca\n0.943191 0.206124 0.893330 Ca\n0.946880 0.703138 0.388704 Ca\n0.949352 0.709155 0.894742 Ca\n0.102092 0.594581 0.749175 Fe\n0.615526 0.600019 0.755544 Fe\n0.363100 0.412600 0.751989 Fe\n0.361947 0.909906 0.751776 Fe\n0.007299 0.000287 0.002417 Co\n-0.000923 0.992628 0.491260 Co\n0.007218 0.502081 0.005541 Co\n0.000519 0.498619 0.495009 Co\n0.507099 0.001192 0.002941 Co\n0.503020 0.998406 0.495453 Co\n0.507661 0.503492 0.003622 Co\n0.505532 0.499398 0.494987 Co\n0.255931 0.251375 0.004806 Co\n0.253839 0.244449 0.493884 Co\n0.256787 0.752995 0.003534 Co\n0.254922 0.747113 0.497336 Co\n0.758730 0.252704 0.006633 Co\n0.748982 0.248895 0.490878 Co\n0.756298 0.751556 0.000687 Co\n0.749927 0.746798 0.492925 Co\n0.110215 0.089681 0.246892 Co\n0.109414 0.091825 0.755676 Co\n0.107081 0.591998 0.248354 Co\n0.605953 0.094247 0.249778 Co\n0.608864 0.091324 0.747725 Co\n0.607964 0.594850 0.249268 Co\n0.356891 0.405954 0.248535 Co\n0.358752 0.906372 0.251202 Co\n0.857857 0.409305 0.249804 Co\n0.857798 0.408315 0.753298 Co\n0.856981 0.901105 0.245768 Co\n0.857014 0.902221 0.752996 Co\n0.121479 0.108592 0.488469 O\n0.127817 0.125943 0.991755 O\n0.122667 0.614861 0.481641 O\n0.123941 0.626130 0.991395 O\n0.616598 0.123242 0.480789 O\n0.629483 0.125889 0.994380 O\n0.620236 0.618645 0.485002 O\n0.630040 0.631208 0.989942 O\n0.130282 0.386593 0.016981 O\n0.137267 0.366097 0.502820 O\n0.136521 0.883504 0.015324 O\n0.134979 0.872553 0.505197 O\n0.639695 0.385949 0.018194 O\n0.639219 0.382600 0.508109 O\n0.634673 0.888902 0.016340 O\n0.632340 0.871297 0.506028 O\n0.365240 0.119736 0.483888 O\n0.379081 0.110822 0.993623 O\n0.372040 0.618394 0.482993 O\n0.379219 0.624007 0.994404 O\n0.864141 0.115682 0.483778 O\n0.874097 0.113372 0.988243 O\n0.866987 0.620794 0.483253 O\n0.877789 0.609816 0.989662 O\n0.381066 0.378483 0.017263 O\n0.387043 0.380629 0.502527 O\n0.387518 0.883477 0.017521 O\n0.382075 0.880774 0.508410 O\n0.884659 0.379031 0.015129 O\n0.879078 0.383957 0.508657 O\n0.885972 0.877489 0.015768 O\n0.881061 0.880246 0.500814 O\n0.090887 0.102769 0.141558 O\n0.083710 0.086147 0.644689 O\n0.088035 0.603195 0.141476 O\n0.076296 0.591909 0.635622 O\n0.589693 0.106499 0.144915 O\n0.581240 0.090361 0.637765 O\n0.588881 0.605986 0.143008 O\n0.588244 0.601220 0.640893 O\n0.444705 0.398545 0.356014 O\n0.451423 0.404579 0.862677 O\n0.442766 0.898306 0.358185 O\n0.456534 0.902115 0.863020 O\n0.945066 0.407084 0.357909 O\n0.941739 0.394828 0.858672 O\n0.945068 0.896773 0.354888 O\n0.946729 0.895496 0.860453 O\n0.335538 0.287199 0.142172 O\n0.334394 0.289298 0.640786 O\n0.339621 0.789379 0.145700 O\n0.336169 0.793773 0.639426 O\n0.842689 0.288982 0.145036 O\n0.828258 0.300078 0.643036 O\n0.837075 0.784626 0.139306 O\n0.829882 0.793319 0.642650 O\n0.192552 0.207718 0.354381 O\n0.192781 0.206706 0.863858 O\n0.194516 0.706163 0.354502 O\n0.199027 0.714750 0.858163 O\n0.686355 0.211198 0.359543 O\n0.692858 0.207631 0.855217 O\n0.692616 0.711877 0.354833 O\n0.707762 0.721246 0.864858 O\n0.424791 0.066744 0.249299 O\n0.424265 0.065658 0.743967 O\n0.425580 0.567026 0.249336 O\n0.434964 0.575849 0.758218 O\n0.925931 0.056019 0.239795 O\n0.929933 0.065494 0.758721 O\n0.924642 0.569114 0.248203 O\n0.922568 0.572168 0.752331 O\n0.174490 0.431454 0.248274 O\n0.182238 0.439867 0.750303 O\n0.176153 0.929478 0.249691 O\n0.185817 0.934996 0.760546 O\n0.675465 0.433473 0.249554 O\n0.679419 0.440820 0.760159 O\n0.677342 0.934911 0.249645 O\n0.673090 0.929859 0.750925 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.3506186709937795,
"density_atomic": 0.07833421092236038,
"volume": 1838.277277634457,
"volume_molar": 7.687753140155763,
"formula_full": "Sr8 Ca24 Fe4 Co28 O80",
"formula_reduced": "Sr2Ca6FeCo7O20",
"formula_anonymous": "AB2C6D7E20",
"energy": -1003.68815924,
"energy_per_atom": -6.970056661388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -893.84015924,
"band_gap": 0.0405000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 116.0000013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.499000Z",
"spacegroup": 1
},
{
"id": "mp-677692",
"created_at": "2022-09-04T14:39:59.330233Z",
"structure_string": "Na20 Zr11 Si10 P8 O72\n1.0\n9.171326 0.000000 0.000000\n4.573506 7.969540 0.000000\n0.052528 0.005673 23.243036\nNa Zr Si P O\n20 11 10 8 72\ndirect\n0.168487 0.316818 0.891446 Na\n0.550995 0.362744 0.778842 Na\n0.802746 0.333265 0.682478 Na\n0.490020 0.687486 0.904497 Na\n0.529021 0.675902 0.568060 Na\n0.856972 0.555295 0.768523 Na\n0.180716 0.682495 0.832342 Na\n0.812234 0.982189 0.940986 Na\n0.818695 0.018517 0.582240 Na\n0.864371 0.008519 0.237630 Na\n0.072009 0.071574 0.768714 Na\n0.194157 0.970196 0.415102 Na\n0.244977 0.011015 0.040325 Na\n0.521402 0.032590 0.493682 Na\n0.119089 0.320128 0.623180 Na\n0.139899 0.350415 0.249654 Na\n0.514321 0.281231 0.061125 Na\n0.845937 0.336370 0.160548 Na\n0.182670 0.669339 0.333675 Na\n0.803372 0.677207 0.086356 Na\n0.173359 0.658163 0.986699 Zr\n0.163927 0.666901 0.475443 Zr\n0.164624 0.662941 0.688566 Zr\n0.508927 0.997075 0.644263 Zr\n0.494920 0.998285 0.849292 Zr\n0.494803 0.004661 0.151153 Zr\n0.502639 0.987048 0.355377 Zr\n0.828774 0.338028 0.316101 Zr\n0.828297 0.335150 0.515177 Zr\n0.838261 0.322070 0.013761 Zr\n0.167674 0.668123 0.187384 Zr\n0.521281 0.341276 0.915589 Si\n0.229480 0.294786 0.742494 Si\n0.476490 0.725603 0.747720 Si\n0.878448 0.663787 0.580987 Si\n0.138544 0.018543 0.914353 Si\n0.536750 0.629903 0.416817 Si\n0.830247 0.042084 0.418986 Si\n0.205955 0.994518 0.257193 Si\n0.874233 0.970692 0.087672 Si\n0.156560 0.382034 0.094468 Si\n0.842011 0.628843 0.915649 P\n0.789230 0.982809 0.739687 P\n0.166931 0.958261 0.578207 P\n0.459198 0.380935 0.580861 P\n0.125012 0.332920 0.411500 P\n0.498388 0.289208 0.251627 P\n0.794878 0.704638 0.249341 P\n0.463790 0.660237 0.087118 P\n0.037815 0.134787 0.974109 O\n0.307897 0.193979 0.803355 O\n0.557666 0.153088 0.896745 O\n0.647979 0.305426 0.973752 O\n0.368201 0.483925 0.634984 O\n0.320729 0.452842 0.936940 O\n0.543834 0.450608 0.867460 O\n0.054841 0.307885 0.722852 O\n0.639288 0.534243 0.475629 O\n0.629059 0.540497 0.737098 O\n0.289952 0.740865 0.742404 O\n0.867224 0.491953 0.570484 O\n0.805517 0.522655 0.960681 O\n0.189693 0.820267 0.927710 O\n0.923783 0.533875 0.860914 O\n0.474444 0.809257 0.810425 O\n0.214207 0.482094 0.749874 O\n0.486405 0.845777 0.696408 O\n0.990199 0.631675 0.639477 O\n0.965806 0.673752 0.946123 O\n0.687328 0.811923 0.300626 O\n0.677749 0.796181 0.906230 O\n0.685050 0.824766 0.581295 O\n0.317552 0.022832 0.912894 O\n0.976995 0.702159 0.529186 O\n0.675061 0.964850 0.784424 O\n0.348166 0.652424 0.416241 O\n0.967252 0.823369 0.745729 O\n0.987060 0.872288 0.145620 O\n0.005197 0.859047 0.419424 O\n0.666185 0.023003 0.406284 O\n0.728055 0.977332 0.676924 O\n0.184876 0.828214 0.247059 O\n0.135819 0.862876 0.626850 O\n0.480858 0.202366 0.578751 O\n0.198331 0.861019 0.520260 O\n0.806625 0.137418 0.481103 O\n0.512452 0.820218 0.416580 O\n0.859902 0.150357 0.367781 O\n0.796777 0.142947 0.744944 O\n0.297770 0.978290 0.318797 O\n0.322528 0.979906 0.588165 O\n0.008511 0.137249 0.575165 O\n0.021443 0.090188 0.860264 O\n0.015208 0.163179 0.253568 O\n0.639952 0.361143 0.580328 O\n0.320896 0.019499 0.207848 O\n0.019306 0.306188 0.458476 O\n0.689206 0.981323 0.094092 O\n0.301563 0.173352 0.412433 O\n0.316526 0.187128 0.097830 O\n0.360641 0.205377 0.688465 O\n0.986797 0.379612 0.074286 O\n0.038152 0.354468 0.352226 O\n0.471675 0.190722 0.300144 O\n0.826837 0.522056 0.251120 O\n0.529853 0.189494 0.194316 O\n0.117218 0.481291 0.156970 O\n0.842742 0.162644 0.083120 O\n0.211160 0.484991 0.051045 O\n0.139890 0.489966 0.423491 O\n0.659768 0.301755 0.260452 O\n0.337921 0.464236 0.248082 O\n0.359416 0.480558 0.527035 O\n0.967763 0.700563 0.252111 O\n0.374338 0.623037 0.137419 O\n0.643623 0.511401 0.080241 O\n0.645729 0.522678 0.360834 O\n0.361251 0.698192 0.031393 O\n0.474055 0.820929 0.100867 O\n0.704943 0.790516 0.192627 O\n0.973767 0.861811 0.031575 O\n",
"nsites": 121,
"nelements": 5,
"elements": [
"Na",
"Zr",
"Si",
"P",
"O"
],
"chemical_system": "Na-O-P-Si-Zr",
"density": 3.0729410715029717,
"density_atomic": 0.07122412617668487,
"volume": 1698.8625413225386,
"volume_molar": 8.455197814657556,
"formula_full": "Na20 Zr11 Si10 P8 O72",
"formula_reduced": "Na20Zr11Si10(PO9)8",
"formula_anonymous": "A8B10C11D20E72",
"energy": -943.24433266,
"energy_per_atom": -7.795407707933885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -893.78033266,
"band_gap": 2.9772000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0499222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.824000Z",
"spacegroup": 1
},
{
"id": "mp-1076891",
"created_at": "2022-09-04T14:46:12.716510Z",
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"elements": [
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"density": 4.467349599069142,
"density_atomic": 0.07738066496848715,
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"formula_full": "Sr12 Ca20 Fe4 Co28 O80",
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"updated_at": "2021-11-28T01:38:23.386000Z",
"spacegroup": 1
},
{
"id": "mp-709068",
"created_at": "2022-09-04T14:41:37.170631Z",
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},
{
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"updated_at": "2021-11-28T01:35:25.560000Z",
"spacegroup": 173
},
{
"id": "mp-1227693",
"created_at": "2022-09-04T14:39:38.454202Z",
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}
]
}