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{
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"results": [
{
"id": "mp-776632",
"created_at": "2022-09-04T14:39:11.638967Z",
"structure_string": "Li4 Mn16 P24 O84\n1.0\n-7.669394 0.000000 0.027542\n-0.033501 0.000000 9.610728\n0.000000 22.184029 0.000000\nLi Mn P O\n4 16 24 84\ndirect\n0.970062 0.776084 0.611389 Li\n0.529936 0.723914 0.111388 Li\n0.470062 0.276084 0.888611 Li\n0.029936 0.223914 0.388612 Li\n0.940786 0.775731 0.255602 Mn\n0.559214 0.724269 0.755602 Mn\n0.440786 0.275731 0.244398 Mn\n0.059214 0.224269 0.744398 Mn\n0.960162 0.709801 0.760122 Mn\n0.967136 0.269748 0.512356 Mn\n0.532864 0.230252 0.012356 Mn\n0.539838 0.790199 0.260122 Mn\n0.460162 0.209801 0.739878 Mn\n0.467136 0.769748 0.987644 Mn\n0.032864 0.730252 0.487644 Mn\n0.039838 0.290199 0.239878 Mn\n0.941238 0.244477 0.994652 Mn\n0.558762 0.255523 0.494652 Mn\n0.441238 0.744477 0.505348 Mn\n0.058762 0.755523 0.005348 Mn\n0.762193 0.997127 0.684961 P\n0.771012 0.834247 0.884729 P\n0.757120 0.158832 0.854542 P\n0.756572 0.445560 0.699654 P\n0.738366 0.967172 0.546488 P\n0.732199 0.531497 0.562987 P\n0.767801 0.968503 0.062987 P\n0.761634 0.532828 0.046488 P\n0.743428 0.054440 0.199654 P\n0.742880 0.341168 0.354542 P\n0.728988 0.665753 0.384729 P\n0.737807 0.502873 0.184961 P\n0.262193 0.497127 0.815039 P\n0.271012 0.334247 0.615271 P\n0.257120 0.658832 0.645458 P\n0.256572 0.945560 0.800346 P\n0.238366 0.467172 0.953512 P\n0.232199 0.031497 0.937013 P\n0.267801 0.468503 0.437013 P\n0.261634 0.032828 0.453512 P\n0.243428 0.554440 0.300346 P\n0.242880 0.841168 0.145458 P\n0.228988 0.165753 0.115271 P\n0.237807 0.002873 0.315039 P\n0.942326 0.597900 0.043902 O\n0.934197 0.378565 0.708044 O\n0.920302 0.799886 0.926370 O\n0.894334 0.619642 0.557133 O\n0.917455 0.207831 0.821664 O\n0.925712 0.074542 0.704478 O\n0.939720 0.892263 0.053411 O\n0.918053 0.321618 0.318145 O\n0.911142 0.689396 0.409274 O\n0.907761 0.424761 0.184583 O\n0.900441 0.132565 0.220298 O\n0.880702 0.895591 0.511716 O\n0.811059 0.950863 0.615490 O\n0.784342 0.995409 0.865400 O\n0.783245 0.750071 0.824202 O\n0.773749 0.023757 0.130578 O\n0.776557 0.265464 0.414529 O\n0.751079 0.853129 0.716365 O\n0.757134 0.589275 0.732668 O\n0.768442 0.373457 0.033195 O\n0.756332 0.100945 0.023163 O\n0.743668 0.399055 0.523163 O\n0.731558 0.126543 0.533195 O\n0.742866 0.910725 0.232668 O\n0.748921 0.646871 0.216365 O\n0.723443 0.234536 0.914529 O\n0.726251 0.476243 0.630578 O\n0.716755 0.749929 0.324202 O\n0.715658 0.504591 0.365400 O\n0.688941 0.549137 0.115490 O\n0.619298 0.604409 0.011716 O\n0.599559 0.367435 0.720298 O\n0.592239 0.075239 0.684583 O\n0.588858 0.810604 0.909274 O\n0.581947 0.178382 0.818145 O\n0.560280 0.607737 0.553411 O\n0.574288 0.425458 0.204478 O\n0.582545 0.292169 0.321664 O\n0.605666 0.880358 0.057133 O\n0.579698 0.700114 0.426370 O\n0.565803 0.121435 0.208044 O\n0.557674 0.902100 0.543902 O\n0.442326 0.097900 0.456098 O\n0.434197 0.878565 0.791956 O\n0.420302 0.299886 0.573630 O\n0.394334 0.119642 0.942867 O\n0.417455 0.707831 0.678336 O\n0.425712 0.574542 0.795522 O\n0.439720 0.392263 0.446589 O\n0.418053 0.821618 0.181855 O\n0.411142 0.189396 0.090726 O\n0.407761 0.924761 0.315417 O\n0.400441 0.632565 0.279702 O\n0.380702 0.395591 0.988284 O\n0.311059 0.450863 0.884510 O\n0.284342 0.495409 0.634600 O\n0.283245 0.250071 0.675798 O\n0.273749 0.523757 0.369422 O\n0.276557 0.765464 0.085471 O\n0.251079 0.353129 0.783635 O\n0.257134 0.089275 0.767332 O\n0.268442 0.873457 0.466805 O\n0.256332 0.600945 0.476837 O\n0.243668 0.899055 0.976837 O\n0.231558 0.626543 0.966805 O\n0.242866 0.410725 0.267332 O\n0.248921 0.146871 0.283635 O\n0.223443 0.734536 0.585471 O\n0.226251 0.976243 0.869422 O\n0.216755 0.249929 0.175798 O\n0.215658 0.004591 0.134600 O\n0.188941 0.049137 0.384510 O\n0.119298 0.104409 0.488284 O\n0.099559 0.867435 0.779702 O\n0.092239 0.575239 0.815417 O\n0.088858 0.310604 0.590726 O\n0.081947 0.678382 0.681855 O\n0.060280 0.107737 0.946589 O\n0.074288 0.925458 0.295522 O\n0.082545 0.792169 0.178336 O\n0.105666 0.380358 0.442867 O\n0.079698 0.200114 0.073630 O\n0.065803 0.621435 0.291956 O\n0.057674 0.402100 0.956098 O\n",
"nsites": 128,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.040618987932517,
"density_atomic": 0.07828123098241328,
"volume": 1635.1301377562213,
"volume_molar": 7.692956133192308,
"formula_full": "Li4 Mn16 P24 O84",
"formula_reduced": "LiMn4(P2O7)3",
"formula_anonymous": "AB4C6D21",
"energy": -1017.63772723,
"energy_per_atom": -7.950294743984375,
"energy_above_hull": null,
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"energy_uncorrected": -933.24172723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 68.0000196,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.032000Z",
"spacegroup": 14
},
{
"id": "mp-1204325",
"created_at": "2022-09-04T14:48:25.102816Z",
"structure_string": "K18 Co6 C36 O84\n1.0\n5.712245 -9.893899 0.000000\n5.712245 9.893899 0.000000\n0.000000 0.000000 20.244092\nK Co C O\n18 6 36 84\ndirect\n0.838740 0.425463 0.739381 K\n0.586723 0.161260 0.406048 K\n0.574537 0.413277 0.072714 K\n0.161260 0.586723 0.593952 K\n0.425463 0.838740 0.260619 K\n0.413277 0.574537 0.927286 K\n0.074205 0.491403 0.071931 K\n0.417198 0.925795 0.738598 K\n0.508597 0.582802 0.405265 K\n0.925795 0.417198 0.261402 K\n0.491403 0.074205 0.928069 K\n0.582802 0.508597 0.594735 K\n0.000000 0.079320 0.166667 K\n0.079320 0.000000 0.833333 K\n0.920680 0.920680 0.500000 K\n0.000000 0.127916 0.666667 K\n0.127916 0.000000 0.333333 K\n0.872084 0.872084 0.000000 K\n0.007030 0.487461 0.891396 Co\n0.480431 0.992970 0.558063 Co\n0.512539 0.519569 0.224729 Co\n0.992970 0.480431 0.441937 Co\n0.487461 0.007030 0.108604 Co\n0.519569 0.512539 0.775271 Co\n0.239325 0.720673 0.867007 C\n0.481348 0.760675 0.533674 C\n0.279327 0.518652 0.200340 C\n0.760675 0.481348 0.466326 C\n0.720673 0.239325 0.132993 C\n0.518652 0.279327 0.799660 C\n0.127151 0.723128 0.824358 C\n0.595977 0.872849 0.491024 C\n0.276872 0.404023 0.157691 C\n0.872849 0.595977 0.508976 C\n0.723128 0.127151 0.175642 C\n0.404023 0.276872 0.842309 C\n0.855139 0.541342 0.973856 C\n0.686203 0.144861 0.640522 C\n0.458658 0.313797 0.307189 C\n0.144861 0.686203 0.359478 C\n0.541342 0.855139 0.026144 C\n0.313797 0.458658 0.692811 C\n0.756063 0.415150 0.933022 C\n0.659087 0.243937 0.599689 C\n0.584850 0.340913 0.266355 C\n0.243937 0.659087 0.400311 C\n0.415150 0.756063 0.066978 C\n0.340913 0.584850 0.733645 C\n0.010608 0.255613 0.913008 C\n0.245005 0.989392 0.579674 C\n0.744387 0.754995 0.246341 C\n0.989392 0.245005 0.420326 C\n0.255613 0.010608 0.086992 C\n0.754995 0.744387 0.753659 C\n0.017945 0.277603 0.836253 C\n0.259658 0.982055 0.502919 C\n0.722397 0.740342 0.169586 C\n0.982055 0.259658 0.497081 C\n0.277603 0.017945 0.163747 C\n0.740342 0.722397 0.830414 C\n0.199071 0.606362 0.897168 O\n0.407291 0.800929 0.563835 O\n0.393638 0.592709 0.230501 O\n0.800929 0.407291 0.436165 O\n0.606362 0.199071 0.102832 O\n0.592709 0.393638 0.769499 O\n0.008165 0.617349 0.831560 O\n0.609184 0.991835 0.498227 O\n0.382651 0.390816 0.164894 O\n0.991835 0.609184 0.501773 O\n0.617349 0.008165 0.168440 O\n0.390816 0.382651 0.835106 O\n0.981626 0.576898 0.964966 O\n0.595272 0.018374 0.631633 O\n0.423102 0.404728 0.298299 O\n0.018374 0.595272 0.368367 O\n0.576898 0.981626 0.035034 O\n0.404728 0.423102 0.701701 O\n0.814062 0.381346 0.887538 O\n0.567285 0.185938 0.554205 O\n0.618654 0.432715 0.220872 O\n0.185938 0.567285 0.445795 O\n0.381346 0.814062 0.112462 O\n0.432715 0.618654 0.779128 O\n0.012139 0.353018 0.946599 O\n0.340879 0.987861 0.613266 O\n0.646982 0.659121 0.279933 O\n0.987861 0.340879 0.386734 O\n0.353018 0.012139 0.053401 O\n0.659121 0.646982 0.720067 O\n0.021970 0.389067 0.818913 O\n0.367096 0.978030 0.485580 O\n0.610933 0.632904 0.152247 O\n0.978030 0.367096 0.514420 O\n0.389067 0.021970 0.181087 O\n0.632904 0.610933 0.847753 O\n0.355392 0.819570 0.869624 O\n0.464178 0.644608 0.536291 O\n0.180430 0.535822 0.202958 O\n0.644608 0.464178 0.463709 O\n0.819570 0.355392 0.130376 O\n0.535822 0.180430 0.797042 O\n0.154495 0.819269 0.786945 O\n0.664774 0.845505 0.453611 O\n0.180731 0.335226 0.120278 O\n0.845505 0.664774 0.546389 O\n0.819269 0.154495 0.213055 O\n0.335226 0.180731 0.879722 O\n0.813421 0.596588 0.012280 O\n0.783167 0.186579 0.678947 O\n0.403412 0.216833 0.345614 O\n0.186579 0.783167 0.321053 O\n0.596588 0.813421 0.987720 O\n0.216833 0.403412 0.654386 O\n0.633334 0.352516 0.945786 O\n0.719182 0.366666 0.612452 O\n0.647484 0.280818 0.279119 O\n0.366666 0.719182 0.387547 O\n0.352516 0.633334 0.054214 O\n0.280818 0.647484 0.720881 O\n0.004475 0.152054 0.936204 O\n0.147579 0.995525 0.602871 O\n0.847946 0.852421 0.269538 O\n0.995525 0.147579 0.397129 O\n0.152054 0.004475 0.063796 O\n0.852421 0.847946 0.730462 O\n0.020284 0.194955 0.797781 O\n0.174671 0.979716 0.464448 O\n0.805045 0.825329 0.131114 O\n0.979716 0.174671 0.535552 O\n0.194955 0.020284 0.202219 O\n0.825329 0.805045 0.868886 O\n0.119092 0.882828 0.955499 O\n0.763736 0.880908 0.622165 O\n0.117172 0.236264 0.288832 O\n0.880908 0.763736 0.377835 O\n0.882828 0.119092 0.044501 O\n0.236264 0.117172 0.711168 O\n0.000000 0.679087 0.666667 O\n0.679087 0.000000 0.333333 O\n0.320913 0.320913 0.000000 O\n0.000000 0.673452 0.166667 O\n0.673452 0.000000 0.833333 O\n0.326548 0.326548 0.500000 O\n",
"nsites": 144,
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"elements": [
"K",
"Co",
"C",
"O"
],
"chemical_system": "C-Co-K-O",
"density": 2.056368238220316,
"density_atomic": 0.06293031350172383,
"volume": 2288.2453937887253,
"volume_molar": 9.569538788067593,
"formula_full": "K18 Co6 C36 O84",
"formula_reduced": "K3Co(C3O7)2",
"formula_anonymous": "AB3C6D14",
"energy": -1017.66392482,
"energy_per_atom": -7.067110589027778,
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"updated_at": "2021-11-28T01:39:28.862000Z",
"spacegroup": 152
},
{
"id": "mp-530875",
"created_at": "2022-09-04T14:46:07.677184Z",
"structure_string": "Pr24 Mn22 O72\n1.0\n11.037015 -0.034667 0.000000\n5.500851 5.643084 0.000000\n0.000000 0.000000 23.440350\nPr Mn O\n24 22 72\ndirect\n0.029733 0.451579 0.586012 Pr\n0.009238 0.447814 0.245880 Pr\n0.016388 0.456313 0.915631 Pr\n0.474916 0.040184 0.085025 Pr\n0.472365 0.043164 0.415707 Pr\n0.453414 0.079647 0.744127 Pr\n0.025084 0.959816 0.248308 Pr\n0.027635 0.956836 0.917627 Pr\n0.046586 0.920353 0.589206 Pr\n0.509238 0.447814 0.587453 Pr\n0.529733 0.451579 0.247321 Pr\n0.516388 0.456313 0.917703 Pr\n0.490762 0.552186 0.087453 Pr\n0.483612 0.543687 0.417703 Pr\n0.470267 0.548421 0.747321 Pr\n0.953414 0.079647 0.089206 Pr\n0.972365 0.043164 0.417627 Pr\n0.974916 0.040184 0.748308 Pr\n0.546586 0.920353 0.244127 Pr\n0.527635 0.956836 0.915707 Pr\n0.525084 0.959816 0.585025 Pr\n0.970267 0.548421 0.086012 Pr\n0.983612 0.543687 0.415631 Pr\n0.990762 0.552186 0.745880 Pr\n0.250000 -0.000000 0.166667 Mn\n0.247728 0.004536 0.000440 Mn\n0.252272 0.995464 0.332893 Mn\n0.250821 0.001692 0.832923 Mn\n0.250000 -0.000000 0.666667 Mn\n0.250000 0.500000 0.166667 Mn\n0.251316 0.496117 0.330843 Mn\n0.248684 0.503883 0.002490 Mn\n0.248267 0.504350 0.835055 Mn\n0.251733 0.495650 0.498278 Mn\n0.750000 -0.000000 0.666667 Mn\n0.747728 0.004536 0.832893 Mn\n0.750821 0.001692 0.000410 Mn\n0.750000 -0.000000 0.166667 Mn\n0.749179 0.998308 0.332923 Mn\n0.249179 0.998308 0.500410 Mn\n0.748267 0.504350 0.998278 Mn\n0.751316 0.496117 0.502490 Mn\n0.751733 0.495650 0.335055 Mn\n0.748684 0.503883 0.830843 Mn\n0.750000 0.500000 0.666667 Mn\n0.752272 0.995464 0.500440 Mn\n0.018442 0.189766 0.180247 O\n0.007849 0.199494 0.516097 O\n0.006186 0.207484 0.848646 O\n0.005404 0.205269 0.320357 O\n0.004805 0.197752 0.653040 O\n0.000448 0.217920 0.984156 O\n0.286272 0.011853 0.250127 O\n0.279102 0.025015 0.584038 O\n0.280111 0.022627 0.917407 O\n0.210199 0.294390 0.015866 O\n0.204061 0.299473 0.152761 O\n0.215138 0.285837 0.348297 O\n0.214509 0.284682 0.483224 O\n0.208783 0.294462 0.819636 O\n0.205071 0.276203 0.680059 O\n0.190236 0.527830 0.249249 O\n0.197092 0.522830 0.917425 O\n0.215396 0.502298 0.575985 O\n0.309764 0.472170 0.084084 O\n0.302908 0.477170 0.415909 O\n0.284604 0.497702 0.757348 O\n0.507849 0.199494 0.317237 O\n0.504805 0.197752 0.180293 O\n0.506186 0.207484 0.984687 O\n0.518442 0.189766 0.653086 O\n0.505404 0.205269 0.512977 O\n0.500448 0.217920 0.849177 O\n0.289801 0.705610 0.317468 O\n0.295939 0.700527 0.180572 O\n0.291217 0.705538 0.513698 O\n0.285491 0.715318 0.850109 O\n0.284862 0.714163 0.985036 O\n0.294929 0.723796 0.653274 O\n0.219889 0.977373 0.415927 O\n0.213728 0.988147 0.083206 O\n0.220898 0.974985 0.749295 O\n0.779102 0.025015 0.249295 O\n0.786272 0.011853 0.583206 O\n0.780111 0.022627 0.915927 O\n0.708783 0.294462 0.013698 O\n0.714509 0.284682 0.350109 O\n0.704061 0.299473 0.680572 O\n0.715138 0.285837 0.485036 O\n0.705071 0.276203 0.153274 O\n0.710199 0.294390 0.817468 O\n0.481558 0.810234 0.153086 O\n0.499552 0.782080 0.349177 O\n0.493814 0.792516 0.484687 O\n0.495195 0.802248 0.680293 O\n0.492151 0.800506 0.817237 O\n0.494596 0.794731 0.012977 O\n0.715396 0.502298 0.257348 O\n0.690236 0.527830 0.584084 O\n0.697092 0.522830 0.915909 O\n0.784604 0.497702 0.075985 O\n0.802908 0.477170 0.417425 O\n0.809764 0.472170 0.749249 O\n0.789801 0.705610 0.515866 O\n0.791217 0.705538 0.319636 O\n0.795939 0.700527 0.652761 O\n0.794929 0.723796 0.180059 O\n0.784862 0.714163 0.848297 O\n0.785491 0.715318 0.983224 O\n0.719889 0.977373 0.417407 O\n0.720898 0.974985 0.084038 O\n0.713728 0.988147 0.750127 O\n0.992151 0.800506 0.016097 O\n0.995195 0.802248 0.153040 O\n0.993814 0.792516 0.348646 O\n0.999552 0.782080 0.484156 O\n0.981558 0.810234 0.680247 O\n0.994596 0.794731 0.820357 O\n",
"nsites": 118,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr",
"density": 6.5114977332408825,
"density_atomic": 0.0805790369473218,
"volume": 1464.4007234430214,
"volume_molar": 7.47358244544043,
"formula_full": "Pr24 Mn22 O72",
"formula_reduced": "Pr12Mn11O36",
"formula_anonymous": "A11B12C36",
"energy": -1017.71838027,
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"updated_at": "2021-11-28T01:37:24.080000Z",
"spacegroup": 14
},
{
"id": "mp-1201366",
"created_at": "2022-09-04T14:45:05.529122Z",
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"elements": [
"Na",
"Sr",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Sr",
"density": 2.3714045887641415,
"density_atomic": 0.06657352434994784,
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"formula_full": "Na16 Sr4 Si32 O92",
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"updated_at": "2021-11-28T01:36:48.002000Z",
"spacegroup": 13
},
{
"id": "mp-1076502",
"created_at": "2022-09-04T14:43:20.506105Z",
"structure_string": "Sr16 Ca16 Fe12 Co20 O80\n1.0\n0.018480 -0.008169 10.775164\n11.230821 -0.003312 0.018703\n-5.629296 15.675813 -5.408225\nSr Ca Fe Co O\n16 16 12 20 80\ndirect\n0.307083 0.561796 0.611093 Sr\n0.807853 0.067648 0.608743 Sr\n0.806170 0.564041 0.611662 Sr\n0.189312 0.432425 0.383191 Sr\n0.197896 0.438577 0.896078 Sr\n0.694383 0.434833 0.382434 Sr\n0.694770 0.933840 0.384968 Sr\n0.703236 0.939307 0.895219 Sr\n0.060005 0.293673 0.610144 Sr\n0.056334 0.797523 0.610334 Sr\n0.561801 0.299474 0.610539 Sr\n0.553757 0.797703 0.609674 Sr\n0.447787 0.199903 0.385302 Sr\n0.450956 0.204144 0.894018 Sr\n0.946578 0.199278 0.384446 Sr\n0.950254 0.205108 0.895453 Sr\n0.307834 0.069720 0.105098 Ca\n0.307051 0.065553 0.606122 Ca\n0.302108 0.565906 0.108974 Ca\n0.807185 0.070872 0.106757 Ca\n0.804005 0.563040 0.109932 Ca\n0.197235 0.927229 0.387491 Ca\n0.202586 0.935995 0.898264 Ca\n0.696158 0.435175 0.899070 Ca\n0.054329 0.291478 0.107117 Ca\n0.051692 0.789443 0.108204 Ca\n0.552449 0.292364 0.106152 Ca\n0.553151 0.786465 0.104916 Ca\n0.440738 0.710320 0.387189 Ca\n0.446717 0.715059 0.896941 Ca\n0.940116 0.702171 0.387405 Ca\n0.949581 0.715217 0.898584 Ca\n0.113675 0.089859 0.754760 Fe\n0.109347 0.597309 0.755640 Fe\n0.603883 0.083777 0.242009 Fe\n0.605172 0.095055 0.750598 Fe\n0.609684 0.593948 0.757966 Fe\n0.353081 0.413645 0.245027 Fe\n0.362069 0.411862 0.755168 Fe\n0.348438 0.904115 0.244651 Fe\n0.356515 0.907537 0.752273 Fe\n0.858231 0.417067 0.759074 Fe\n0.858540 0.901920 0.243256 Fe\n0.861599 0.908424 0.752437 Fe\n0.012013 0.001841 0.005529 Co\n0.003365 0.994687 0.493197 Co\n0.004541 0.501240 0.002744 Co\n0.001794 0.499260 0.499014 Co\n0.511873 0.003546 0.006454 Co\n0.502770 0.999153 0.496892 Co\n0.506444 0.501485 0.003029 Co\n0.500620 0.494875 0.490675 Co\n0.259005 0.252443 0.005254 Co\n0.255481 0.245651 0.497019 Co\n0.258753 0.753159 0.005635 Co\n0.250378 0.747108 0.495174 Co\n0.758964 0.255208 0.006407 Co\n0.754092 0.248928 0.494261 Co\n0.758334 0.749234 0.003090 Co\n0.749817 0.749056 0.497141 Co\n0.107550 0.088550 0.245121 Co\n0.103115 0.595968 0.246157 Co\n0.606222 0.593989 0.245174 Co\n0.854748 0.408327 0.244907 Co\n0.126812 0.105118 0.489596 O\n0.130196 0.116405 0.994153 O\n0.112554 0.614741 0.486471 O\n0.120112 0.626079 0.994029 O\n0.626391 0.122349 0.488732 O\n0.630105 0.123831 0.996668 O\n0.610945 0.618983 0.487894 O\n0.620172 0.619274 0.988863 O\n0.137698 0.382534 0.020413 O\n0.131760 0.374174 0.505753 O\n0.143527 0.875930 0.013640 O\n0.133476 0.863701 0.500825 O\n0.638540 0.383649 0.017878 O\n0.635835 0.376090 0.505596 O\n0.643538 0.873695 0.015408 O\n0.624769 0.876734 0.501688 O\n0.376459 0.112911 0.489085 O\n0.375575 0.116579 0.992379 O\n0.363430 0.626808 0.486634 O\n0.373371 0.628303 0.993414 O\n0.875526 0.122929 0.489591 O\n0.881316 0.123320 0.998264 O\n0.869698 0.621406 0.487367 O\n0.869941 0.622525 0.990157 O\n0.387624 0.389831 0.017286 O\n0.385333 0.385566 0.502746 O\n0.393748 0.885776 0.017118 O\n0.377970 0.883064 0.507429 O\n0.884053 0.388868 0.015670 O\n0.883897 0.381956 0.503636 O\n0.895611 0.885847 0.018542 O\n0.886293 0.881953 0.502191 O\n0.097187 0.103797 0.143924 O\n0.096282 0.088509 0.643514 O\n0.082853 0.604857 0.141687 O\n0.077479 0.594097 0.641918 O\n0.592926 0.107080 0.139918 O\n0.583819 0.094758 0.639778 O\n0.586236 0.604683 0.140856 O\n0.582264 0.594917 0.646240 O\n0.436203 0.404567 0.355306 O\n0.448685 0.403927 0.863894 O\n0.436151 0.898469 0.355045 O\n0.450352 0.898930 0.860807 O\n0.932064 0.403165 0.352153 O\n0.946533 0.404556 0.866010 O\n0.945105 0.896730 0.354945 O\n0.950953 0.898582 0.861376 O\n0.341988 0.288996 0.140144 O\n0.337178 0.293549 0.644568 O\n0.335499 0.782053 0.138920 O\n0.325498 0.792773 0.641162 O\n0.844231 0.293605 0.142204 O\n0.837924 0.304795 0.648604 O\n0.840706 0.777972 0.137386 O\n0.829394 0.797616 0.640023 O\n0.185679 0.196185 0.353148 O\n0.194073 0.207591 0.864892 O\n0.194180 0.704321 0.353658 O\n0.205135 0.715345 0.863184 O\n0.687993 0.198383 0.352652 O\n0.688110 0.212171 0.861382 O\n0.693241 0.696258 0.353811 O\n0.706969 0.710936 0.865238 O\n0.422374 0.056907 0.238721 O\n0.423260 0.062865 0.744823 O\n0.424227 0.573032 0.247769 O\n0.431080 0.574853 0.760752 O\n0.923249 0.057576 0.238353 O\n0.933535 0.065031 0.751466 O\n0.924456 0.571232 0.248898 O\n0.933075 0.577043 0.762654 O\n0.171726 0.433193 0.239594 O\n0.182679 0.439315 0.753729 O\n0.169940 0.924878 0.246521 O\n0.181543 0.932590 0.761030 O\n0.671686 0.431342 0.237872 O\n0.678624 0.435598 0.761415 O\n0.676069 0.924906 0.238441 O\n0.684082 0.941035 0.753254 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.528937617529501,
"density_atomic": 0.07593772940673711,
"volume": 1896.2905676137384,
"volume_molar": 7.9303671666876605,
"formula_full": "Sr16 Ca16 Fe12 Co20 O80",
"formula_reduced": "Sr4Ca4Fe3(CoO4)5",
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"updated_at": "2021-11-28T01:36:08.582000Z",
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},
{
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"nelements": 5,
"elements": [
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],
"chemical_system": "C-H-N-O-S",
"density": 1.1418820285593123,
"density_atomic": 0.09840247706714274,
"volume": 1869.871628073465,
"volume_molar": 6.119907688798247,
"formula_full": "H108 C36 S8 N12 O20",
"formula_reduced": "H27C9S2N3O5",
"formula_anonymous": "A2B3C5D9E27",
"energy": -1020.73928456,
"energy_per_atom": -5.547496111739131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1002.66728456,
"band_gap": 3.7474,
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"is_magnetic": false,
"total_magnetization": 0.0009945,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.467000Z",
"spacegroup": 14
}
]
}