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{
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"results": [
{
"id": "mp-758522",
"created_at": "2022-09-04T14:43:54.094346Z",
"structure_string": "Mn13 Fe11 O32\n1.0\n3.012370 5.258840 0.000000\n-3.012370 5.258840 0.000000\n0.000000 3.326340 19.796844\nMn Fe O\n13 11 32\ndirect\n0.410150 0.410150 0.281349 Mn\n0.751967 0.751967 0.250205 Mn\n0.874592 0.874592 0.374396 Mn\n0.342625 0.342625 0.470178 Mn\n0.092516 0.092516 0.220230 Mn\n0.657375 0.657375 0.529822 Mn\n0.248033 0.248033 0.749795 Mn\n0.125408 0.125408 0.625604 Mn\n0.589850 0.589850 0.718651 Mn\n0.158658 0.158658 0.029368 Mn\n0.907484 0.907484 0.779770 Mn\n0.500000 0.500000 0.000000 Mn\n0.841342 0.841342 0.970632 Mn\n0.875445 0.370806 0.376635 Fe\n0.370806 0.875445 0.376635 Fe\n0.124555 0.629194 0.623365 Fe\n0.629194 0.124555 0.623365 Fe\n0.000000 0.000000 0.500000 Fe\n0.876126 0.376440 0.874650 Fe\n0.376440 0.876126 0.874650 Fe\n0.376880 0.376880 0.874357 Fe\n0.623120 0.623120 0.125643 Fe\n0.623560 0.123874 0.125350 Fe\n0.123874 0.623560 0.125350 Fe\n0.165590 0.711362 0.431288 O\n0.711362 0.165590 0.431288 O\n0.028099 0.591230 0.313732 O\n0.591230 0.028099 0.313732 O\n0.586185 0.586185 0.310631 O\n0.825469 0.825469 0.564458 O\n0.700687 0.700687 0.428038 O\n0.174531 0.174531 0.435542 O\n0.299313 0.299313 0.571962 O\n0.048716 0.048716 0.321736 O\n0.408770 0.971901 0.686268 O\n0.971901 0.408770 0.686268 O\n0.288638 0.834410 0.568712 O\n0.834410 0.288638 0.568712 O\n0.194178 0.194178 0.927824 O\n0.951284 0.951284 0.678264 O\n0.082968 0.082968 0.810700 O\n0.559781 0.559781 0.820253 O\n0.413815 0.413815 0.689369 O\n0.669661 0.669661 0.939326 O\n0.674166 0.220749 0.938471 O\n0.220749 0.674166 0.938471 O\n0.531124 0.078283 0.809409 O\n0.078283 0.531124 0.809409 O\n0.325834 0.779251 0.061529 O\n0.779251 0.325834 0.061529 O\n0.330339 0.330339 0.060674 O\n0.440219 0.440219 0.179747 O\n0.917032 0.917032 0.189300 O\n0.805822 0.805822 0.072176 O\n0.921717 0.468876 0.190591 O\n0.468876 0.921717 0.190591 O\n",
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"elements": [
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"Fe",
"O"
],
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"density": 4.872520815545395,
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"volume": 627.2262532901578,
"volume_molar": 6.7450799744299,
"formula_full": "Mn13 Fe11 O32",
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"energy": -470.6570573799999,
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"updated_at": "2021-11-28T01:36:30.651000Z",
"spacegroup": 12
},
{
"id": "mp-1213665",
"created_at": "2022-09-04T14:47:17.729689Z",
"structure_string": "Eu16 Sb24\n1.0\n6.423661 0.000000 0.000000\n0.000000 13.146611 0.000000\n0.000000 13.118540 14.922412\nEu Sb\n16 24\ndirect\n0.950674 0.000000 0.750000 Eu\n0.049326 0.000000 0.250000 Eu\n0.550442 0.753268 0.751048 Eu\n0.449558 0.246732 0.248952 Eu\n0.550442 0.246732 0.748952 Eu\n0.449558 0.753268 0.251048 Eu\n0.930483 0.500000 0.750000 Eu\n0.069517 0.500000 0.250000 Eu\n0.751045 0.874073 0.002808 Eu\n0.248955 0.125927 0.997192 Eu\n0.751045 0.125927 0.497192 Eu\n0.248955 0.874073 0.502808 Eu\n0.745310 0.625072 0.501210 Eu\n0.254690 0.374928 0.498790 Eu\n0.745310 0.374928 0.998790 Eu\n0.254690 0.625072 0.001210 Eu\n0.938235 0.866017 0.160626 Sb\n0.061765 0.133983 0.839374 Sb\n0.938235 0.133983 0.339374 Sb\n0.061765 0.866017 0.660626 Sb\n0.748061 0.699356 0.929042 Sb\n0.251939 0.300644 0.070958 Sb\n0.748061 0.300644 0.570958 Sb\n0.251939 0.699356 0.429042 Sb\n0.754852 0.809479 0.569728 Sb\n0.245148 0.190521 0.430272 Sb\n0.754852 0.190521 0.930272 Sb\n0.245148 0.809479 0.069728 Sb\n0.431474 0.932957 0.847222 Sb\n0.568526 0.067043 0.152778 Sb\n0.431474 0.067043 0.652778 Sb\n0.568526 0.932957 0.347222 Sb\n0.914494 0.391039 0.149307 Sb\n0.085506 0.608961 0.850693 Sb\n0.914494 0.608961 0.350693 Sb\n0.085506 0.391039 0.649307 Sb\n0.415635 0.559352 0.656046 Sb\n0.584365 0.440648 0.343954 Sb\n0.415635 0.440648 0.843954 Sb\n0.584365 0.559352 0.156046 Sb\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Eu",
"Sb"
],
"chemical_system": "Eu-Sb",
"density": 7.054475928056563,
"density_atomic": 0.03174128749317812,
"volume": 1260.1883275401747,
"volume_molar": 18.97257873138979,
"formula_full": "Eu16 Sb24",
"formula_reduced": "Eu2Sb3",
"formula_anonymous": "A2B3",
"energy": -301.82385487,
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"updated_at": "2021-11-28T01:38:01.438000Z",
"spacegroup": 13
},
{
"id": "mp-531264",
"created_at": "2022-09-04T14:41:25.468684Z",
"structure_string": "Mg3 Fe22 O36\n1.0\n4.472812 0.055373 3.202442\n1.672632 4.153642 3.205787\n0.522920 0.383437 32.979865\nMg Fe O\n3 22 36\ndirect\n0.327937 0.331073 0.885402 Mg\n0.500000 0.500000 0.916667 Mg\n0.672063 0.668927 0.947931 Mg\n0.122080 0.137281 0.029449 Fe\n0.329977 0.331982 0.062269 Fe\n0.137953 0.139186 0.194534 Fe\n0.334510 0.334959 0.226071 Fe\n0.652362 0.649771 0.115260 Fe\n0.142061 0.144437 0.358442 Fe\n0.849366 0.847504 0.146787 Fe\n0.338520 0.339398 0.390319 Fe\n0.656966 0.655025 0.278871 Fe\n0.146578 0.149615 0.522700 Fe\n0.853422 0.850385 0.310634 Fe\n0.343034 0.344975 0.554463 Fe\n0.661480 0.660602 0.443014 Fe\n0.150634 0.152496 0.686546 Fe\n0.857939 0.855563 0.474891 Fe\n0.347638 0.350229 0.718073 Fe\n0.665490 0.665041 0.607262 Fe\n0.157053 0.137135 0.850295 Fe\n0.862047 0.860814 0.638799 Fe\n0.670023 0.668018 0.771065 Fe\n0.877920 0.862719 0.803885 Fe\n0.842947 0.862865 0.983038 Fe\n0.053109 0.722159 0.078094 O\n0.429974 0.053250 0.126759 O\n0.713590 0.435083 0.020598 O\n0.262564 0.554254 0.159363 O\n0.551156 0.934853 0.050590 O\n0.059399 0.725947 0.241941 O\n0.929512 0.257344 0.099593 O\n0.437116 0.057815 0.290575 O\n0.725530 0.429366 0.181566 O\n0.265725 0.560533 0.323611 O\n0.553298 0.931800 0.214518 O\n0.063925 0.730998 0.406280 O\n0.931836 0.264075 0.262790 O\n0.441021 0.062790 0.454846 O\n0.729709 0.434253 0.345491 O\n0.270291 0.565747 0.487842 O\n0.558979 0.937210 0.378487 O\n0.068164 0.735925 0.570544 O\n0.936075 0.269002 0.427053 O\n0.446702 0.068200 0.618815 O\n0.734275 0.439467 0.509723 O\n0.274470 0.570634 0.651767 O\n0.562884 0.942185 0.542759 O\n0.070488 0.742656 0.733740 O\n0.940601 0.274053 0.591392 O\n0.448844 0.065147 0.782744 O\n0.737436 0.445746 0.673970 O\n0.286410 0.564917 0.812736 O\n0.570026 0.946750 0.706574 O\n0.087349 0.737734 0.905763 O\n0.946891 0.277841 0.755240 O\n0.429900 0.083528 0.959587 O\n0.743303 0.449895 0.839869 O\n0.256697 0.550105 0.993464 O\n0.570100 0.916472 0.873746 O\n0.912651 0.262266 0.927570 O\n",
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"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 5.201663045363187,
"density_atomic": 0.10177634435658145,
"volume": 599.3534193592343,
"volume_molar": 5.917033862899374,
"formula_full": "Mg3 Fe22 O36",
"formula_reduced": "Mg3(Fe11O18)2",
"formula_anonymous": "A3B22C36",
"energy": -467.84693916,
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"updated_at": "2021-11-28T01:35:19.648000Z",
"spacegroup": 2
},
{
"id": "mp-29747",
"created_at": "2022-09-04T14:41:08.068490Z",
"structure_string": "Ta8 Mn22 O42\n1.0\n2.725351 -4.720447 0.000000\n2.725351 4.720447 0.000000\n0.000000 0.000000 34.361202\nTa Mn O\n8 22 42\ndirect\n0.333333 0.666667 0.070835 Ta\n0.666667 0.333333 0.429165 Ta\n0.666667 0.333333 0.929165 Ta\n0.333333 0.666667 0.570835 Ta\n0.000000 0.000000 0.205297 Ta\n0.000000 0.000000 0.294703 Ta\n0.000000 0.000000 0.794703 Ta\n0.000000 0.000000 0.705297 Ta\n0.000000 0.000000 0.087747 Mn\n0.000000 0.000000 0.412253 Mn\n0.000000 0.000000 0.912253 Mn\n0.000000 0.000000 0.587747 Mn\n0.333333 0.666667 0.980150 Mn\n0.666667 0.333333 0.519850 Mn\n0.666667 0.333333 0.019850 Mn\n0.333333 0.666667 0.480150 Mn\n0.333333 0.666667 0.156906 Mn\n0.666667 0.333333 0.343094 Mn\n0.666667 0.333333 0.843094 Mn\n0.333333 0.666667 0.656906 Mn\n0.666667 0.333333 0.134954 Mn\n0.333333 0.666667 0.365046 Mn\n0.333333 0.666667 0.865046 Mn\n0.666667 0.333333 0.634954 Mn\n0.666667 0.333333 0.226285 Mn\n0.333333 0.666667 0.273715 Mn\n0.333333 0.666667 0.773715 Mn\n0.666667 0.333333 0.726285 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.647980 0.696312 0.036482 O\n0.303688 0.951668 0.036482 O\n0.048332 0.352020 0.036482 O\n0.951668 0.303688 0.463518 O\n0.352020 0.048332 0.463518 O\n0.696312 0.647980 0.463518 O\n0.352020 0.303688 0.963518 O\n0.696312 0.048332 0.963518 O\n0.951668 0.647980 0.963518 O\n0.048332 0.696312 0.536482 O\n0.647980 0.951668 0.536482 O\n0.303688 0.352020 0.536482 O\n0.346246 0.382511 0.106532 O\n0.617489 0.963735 0.106532 O\n0.036265 0.653754 0.106532 O\n0.963735 0.617489 0.393468 O\n0.653754 0.036265 0.393468 O\n0.382511 0.346246 0.393468 O\n0.653754 0.617489 0.893468 O\n0.382511 0.036265 0.893468 O\n0.963735 0.346246 0.893468 O\n0.036265 0.382511 0.606532 O\n0.346246 0.963735 0.606532 O\n0.617489 0.653754 0.606532 O\n0.699951 0.668010 0.180950 O\n0.331990 0.031941 0.180950 O\n0.968059 0.300049 0.180950 O\n0.031941 0.331990 0.319050 O\n0.300049 0.968059 0.319050 O\n0.668010 0.699951 0.319050 O\n0.300049 0.331990 0.819050 O\n0.668010 0.968059 0.819050 O\n0.031941 0.699951 0.819050 O\n0.968059 0.668010 0.680950 O\n0.699951 0.031941 0.680950 O\n0.331990 0.300049 0.680950 O\n0.275884 0.275884 0.250000 O\n0.724116 0.000000 0.250000 O\n0.000000 0.724116 0.250000 O\n0.724116 0.724116 0.750000 O\n0.275884 0.000000 0.750000 O\n0.000000 0.275884 0.750000 O\n",
"nsites": 72,
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"elements": [
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"Mn",
"O"
],
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"density": 6.251063730827048,
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"volume": 884.1051338537461,
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"formula_full": "Ta8 Mn22 O42",
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"energy": -687.28040286,
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"updated_at": "2021-11-28T01:35:17.322000Z",
"spacegroup": 165
},
{
"id": "mp-677654",
"created_at": "2022-09-04T14:45:39.012209Z",
"structure_string": "Zn11 Fe22 O44\n1.0\n5.275454 0.065249 3.087191\n1.862119 4.953972 3.008176\n0.437812 -0.250083 36.262680\nZn Fe O\n11 22 44\ndirect\n0.102704 0.092109 0.016271 Zn\n0.544155 0.984077 0.084704 Zn\n0.542671 0.987284 0.250775 Zn\n0.113998 0.091134 0.508778 Zn\n0.545894 0.988443 0.416494 Zn\n0.517256 0.984908 0.587183 Zn\n0.140190 0.119444 0.686633 Zn\n0.003630 0.496558 0.749893 Zn\n0.140871 0.120386 0.853864 Zn\n0.994613 0.512495 0.585881 Zn\n0.000748 0.504291 0.915622 Zn\n0.508812 0.532267 0.999029 Fe\n0.115942 0.079750 0.180654 Fe\n0.476798 0.510832 0.086262 Fe\n0.121011 0.087309 0.344895 Fe\n0.545510 0.522659 0.162118 Fe\n0.482330 0.511312 0.252416 Fe\n0.857903 0.878860 0.148790 Fe\n0.547306 0.525042 0.327534 Fe\n0.481314 0.505750 0.418200 Fe\n0.856482 0.876093 0.315620 Fe\n0.554035 0.517839 0.493282 Fe\n0.499363 0.497028 0.582658 Fe\n0.870051 0.873864 0.481388 Fe\n0.500574 0.490015 0.668419 Fe\n0.496852 0.495583 0.749940 Fe\n0.867578 0.875592 0.648158 Fe\n0.495415 0.508305 0.834337 Fe\n0.498493 0.001383 0.750360 Fe\n0.494178 0.502846 0.917509 Fe\n0.860410 0.877502 0.812930 Fe\n0.502890 0.015751 0.914347 Fe\n0.853402 0.885036 0.980735 Fe\n0.282001 0.248013 0.121130 O\n0.264635 0.719449 0.042976 O\n0.716069 0.279647 0.041026 O\n0.260949 0.739140 0.128909 O\n0.681550 0.785085 0.042888 O\n0.700238 0.268677 0.128914 O\n0.276378 0.718065 0.207567 O\n0.281038 0.250276 0.285456 O\n0.737589 0.268582 0.207232 O\n0.761885 0.742186 0.125036 O\n0.258929 0.737487 0.295784 O\n0.684834 0.775523 0.211703 O\n0.703168 0.267710 0.295334 O\n0.287887 0.257675 0.449045 O\n0.278009 0.724895 0.372813 O\n0.743807 0.271635 0.372308 O\n0.764039 0.743219 0.290965 O\n0.265350 0.726617 0.462526 O\n0.708920 0.257040 0.462101 O\n0.680431 0.774187 0.378765 O\n0.268373 0.706819 0.542072 O\n0.265500 0.264418 0.618972 O\n0.724832 0.254626 0.541391 O\n0.757002 0.745788 0.459369 O\n0.266753 0.731859 0.625962 O\n0.286684 0.240128 0.709523 O\n0.748204 0.268545 0.622406 O\n0.275768 0.252578 0.786129 O\n0.733175 0.733369 0.547618 O\n0.267442 0.716316 0.710562 O\n0.720342 0.242212 0.711329 O\n0.735521 0.732349 0.630375 O\n0.275721 0.260018 0.874477 O\n0.267932 0.753224 0.791131 O\n0.728748 0.746686 0.713863 O\n0.735954 0.269510 0.791812 O\n0.272012 0.267023 0.952916 O\n0.272904 0.718938 0.877981 O\n0.719469 0.263650 0.877646 O\n0.721639 0.757115 0.791300 O\n0.267251 0.744272 0.958239 O\n0.728177 0.740753 0.878532 O\n0.716544 0.282109 0.958893 O\n0.732970 0.760838 0.956010 O\n",
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],
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"density": 4.688839256062707,
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"volume": 939.2204155163884,
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"formula_full": "Zn11 Fe22 O44",
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},
{
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{
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{
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}