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{
"id": "mp-1213205",
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"structure_string": "Dy11 Mn12 C18\n1.0\n-5.071204 5.071204 5.071204\n5.071204 -5.071204 5.071204\n5.071204 5.071204 -5.071204\nDy Mn C\n11 12 18\ndirect\n0.411350 0.411350 0.411350 Dy\n0.588650 0.000000 0.000000 Dy\n0.000000 0.588650 0.000000 Dy\n0.000000 0.000000 0.588650 Dy\n0.000000 0.000000 0.000000 Dy\n0.250000 0.750000 0.500000 Dy\n0.750000 0.250000 0.500000 Dy\n0.750000 0.500000 0.250000 Dy\n0.250000 0.500000 0.750000 Dy\n0.500000 0.250000 0.750000 Dy\n0.500000 0.750000 0.250000 Dy\n0.843938 0.660302 0.660302 Mn\n0.156062 0.816364 0.816364 Mn\n0.000000 0.339698 0.183636 Mn\n0.660302 0.660302 0.843938 Mn\n0.000000 0.183636 0.339698 Mn\n0.816364 0.816364 0.156062 Mn\n0.339698 0.183636 0.000000 Mn\n0.183636 0.339698 0.000000 Mn\n0.660302 0.843938 0.660302 Mn\n0.183636 0.000000 0.339698 Mn\n0.339698 0.000000 0.183636 Mn\n0.816364 0.156062 0.816364 Mn\n0.568026 0.568026 0.000000 C\n0.431974 0.431974 0.000000 C\n0.568026 0.000000 0.568026 C\n0.431974 0.000000 0.431974 C\n0.000000 0.568026 0.568026 C\n0.000000 0.431974 0.431974 C\n0.485164 0.704332 0.704332 C\n0.514836 0.219168 0.219168 C\n0.000000 0.295668 0.780832 C\n0.704332 0.704332 0.485164 C\n0.000000 0.780832 0.295668 C\n0.219168 0.219168 0.514836 C\n0.295668 0.780832 0.000000 C\n0.780832 0.295668 0.000000 C\n0.704332 0.485164 0.704332 C\n0.780832 0.000000 0.295668 C\n0.295668 0.000000 0.780832 C\n0.219168 0.514836 0.219168 C\n",
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{
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"structure_string": "Sm11 Fe12 C18\n1.0\n-5.169737 5.169737 5.169737\n5.169737 -5.169737 5.169737\n5.169737 5.169737 -5.169737\nSm Fe C\n11 12 18\ndirect\n0.250000 0.750000 0.500000 Sm\n0.750000 0.250000 0.500000 Sm\n0.750000 0.500000 0.250000 Sm\n0.250000 0.500000 0.750000 Sm\n0.500000 0.250000 0.750000 Sm\n0.500000 0.750000 0.250000 Sm\n0.407082 0.407082 0.407082 Sm\n0.592918 0.000000 0.000000 Sm\n0.000000 0.592918 0.000000 Sm\n0.000000 0.000000 0.592918 Sm\n0.000000 0.000000 0.000000 Sm\n0.840371 0.641828 0.641828 Fe\n0.159629 0.801458 0.801458 Fe\n0.000000 0.358172 0.198542 Fe\n0.641828 0.641828 0.840371 Fe\n0.000000 0.198542 0.358172 Fe\n0.801458 0.801458 0.159629 Fe\n0.358172 0.198542 0.000000 Fe\n0.198542 0.358172 0.000000 Fe\n0.641828 0.840371 0.641828 Fe\n0.198542 0.000000 0.358172 Fe\n0.358172 0.000000 0.198542 Fe\n0.801458 0.159629 0.801458 Fe\n0.569132 0.569132 0.000000 C\n0.430868 0.430868 0.000000 C\n0.569132 0.000000 0.569132 C\n0.430868 0.000000 0.430868 C\n0.000000 0.569132 0.569132 C\n0.000000 0.430868 0.430868 C\n0.500739 0.705789 0.705789 C\n0.499261 0.205050 0.205050 C\n0.000000 0.294211 0.794950 C\n0.705789 0.705789 0.500739 C\n0.000000 0.794950 0.294211 C\n0.205050 0.205050 0.499261 C\n0.294211 0.794950 0.000000 C\n0.794950 0.294211 0.000000 C\n0.705789 0.500739 0.705789 C\n0.794950 0.000000 0.294211 C\n0.294211 0.000000 0.794950 C\n0.205050 0.499261 0.205050 C\n",
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"elements": [
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"formula_full": "Sm11 Fe12 C18",
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{
"id": "mp-1207710",
"created_at": "2022-09-04T14:47:57.104829Z",
"structure_string": "Yb11 Mn12 C18\n1.0\n-5.089262 5.089262 5.089262\n5.089262 -5.089262 5.089262\n5.089262 5.089262 -5.089262\nYb Mn C\n11 12 18\ndirect\n0.411849 0.411849 0.411849 Yb\n0.588151 0.000000 0.000000 Yb\n0.000000 0.588151 0.000000 Yb\n0.000000 0.000000 0.588151 Yb\n0.250000 0.750000 0.500000 Yb\n0.750000 0.250000 0.500000 Yb\n0.750000 0.500000 0.250000 Yb\n0.250000 0.500000 0.750000 Yb\n0.500000 0.250000 0.750000 Yb\n0.500000 0.750000 0.250000 Yb\n0.000000 0.000000 0.000000 Yb\n0.844076 0.658293 0.658293 Mn\n0.155924 0.814217 0.814217 Mn\n0.000000 0.341707 0.185783 Mn\n0.658293 0.658293 0.844076 Mn\n0.000000 0.185783 0.341707 Mn\n0.814217 0.814217 0.155924 Mn\n0.341707 0.185783 0.000000 Mn\n0.185783 0.341707 0.000000 Mn\n0.658293 0.844076 0.658293 Mn\n0.185783 0.000000 0.341707 Mn\n0.341707 0.000000 0.185783 Mn\n0.814217 0.155924 0.814217 Mn\n0.567186 0.567186 0.000000 C\n0.432814 0.432814 0.000000 C\n0.567186 0.000000 0.567186 C\n0.432814 0.000000 0.432814 C\n0.000000 0.567186 0.567186 C\n0.000000 0.432814 0.432814 C\n0.496399 0.709284 0.709284 C\n0.503601 0.212885 0.212885 C\n0.000000 0.290716 0.787115 C\n0.709284 0.709284 0.496399 C\n0.000000 0.787115 0.290716 C\n0.212885 0.212885 0.503601 C\n0.290716 0.787115 0.000000 C\n0.787115 0.290716 0.000000 C\n0.709284 0.496399 0.709284 C\n0.787115 0.000000 0.290716 C\n0.290716 0.000000 0.787115 C\n0.212885 0.503601 0.212885 C\n",
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"elements": [
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],
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"density": 8.751770079639979,
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"volume": 527.2595071316476,
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"formula_full": "Yb11 Mn12 C18",
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"energy": -296.07791952,
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"spacegroup": 217
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{
"id": "mp-38676",
"created_at": "2022-09-04T14:43:21.852359Z",
"structure_string": "Li11 Ni12 O24\n1.0\n4.369949 6.269063 0.000000\n-4.369949 6.269063 0.000000\n0.000000 6.138776 7.575524\nLi Ni O\n11 12 24\ndirect\n0.749182 0.749182 0.749721 Li\n0.918505 0.592120 0.246108 Li\n0.500000 0.500000 0.500000 Li\n0.674268 0.325732 0.000000 Li\n0.250818 0.250818 0.250279 Li\n0.830456 0.169544 0.500000 Li\n0.407880 0.081495 0.753892 Li\n0.592120 0.918505 0.246108 Li\n0.169544 0.830456 0.500000 Li\n0.325732 0.674268 0.000000 Li\n0.081495 0.407880 0.753892 Li\n0.875287 0.875287 0.376411 Ni\n0.623436 0.623436 0.127913 Ni\n0.789328 0.458014 0.624527 Ni\n0.376564 0.376564 0.872087 Ni\n0.959456 0.292528 0.123601 Ni\n0.541986 0.210672 0.375473 Ni\n0.124713 0.124713 0.623589 Ni\n0.707472 0.040544 0.876399 Ni\n0.292528 0.959456 0.123601 Ni\n0.458014 0.789328 0.624527 Ni\n0.040544 0.707472 0.876399 Ni\n0.210672 0.541986 0.375473 Ni\n0.930202 0.930202 0.708076 O\n0.681936 0.681936 0.459454 O\n0.860245 0.523291 0.949513 O\n0.446691 0.446691 0.190251 O\n0.973035 0.631103 0.563281 O\n0.609533 0.279132 0.691603 O\n0.203204 0.203204 0.933650 O\n0.720868 0.390467 0.308397 O\n0.763571 0.122159 0.202680 O\n0.368897 0.026965 0.436719 O\n0.877841 0.236429 0.797320 O\n0.476709 0.139755 0.050487 O\n0.523291 0.860245 0.949513 O\n0.122159 0.763571 0.202680 O\n0.631103 0.973035 0.563281 O\n0.236429 0.877841 0.797320 O\n0.279132 0.609533 0.691603 O\n0.796796 0.796796 0.066350 O\n0.390467 0.720868 0.308397 O\n0.026965 0.368897 0.436719 O\n0.553309 0.553309 0.809749 O\n0.139755 0.476709 0.050487 O\n0.318064 0.318064 0.540546 O\n0.069798 0.069798 0.291924 O\n",
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"formula_full": "Li11 Ni12 O24",
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{
"id": "mp-1223041",
"created_at": "2022-09-04T14:39:58.443557Z",
"structure_string": "Li11 Mo12 O24\n1.0\n7.040700 0.000000 0.000000\n-0.401389 8.281977 0.000000\n-1.002100 -1.996622 9.080997\nLi Mo O\n11 12 24\ndirect\n0.835396 0.324821 0.160249 Li\n0.164604 0.675179 0.839751 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.320963 0.832587 0.155447 Li\n0.679037 0.167413 0.844553 Li\n0.836073 0.847395 0.681675 Li\n0.163927 0.152605 0.318325 Li\n0.500000 0.500000 0.000000 Li\n0.330055 0.326700 0.670799 Li\n0.669945 0.673300 0.329201 Li\n0.247136 0.503541 0.250030 Mo\n0.592271 0.834360 0.916443 Mo\n0.915561 0.166926 0.579871 Mo\n0.752864 0.496459 0.749970 Mo\n0.084439 0.833074 0.420129 Mo\n0.407729 0.165640 0.083557 Mo\n0.919869 0.671023 0.082811 Mo\n0.249565 0.994708 0.751268 Mo\n0.576544 0.340725 0.418996 Mo\n0.080131 0.328977 0.917189 Mo\n0.423456 0.659275 0.581004 Mo\n0.750435 0.005292 0.248732 Mo\n0.866503 0.734274 0.868608 O\n0.197287 0.077378 0.542926 O\n0.524988 0.412967 0.209424 O\n0.030538 0.407411 0.707073 O\n0.368162 0.746404 0.378968 O\n0.683770 0.083790 0.042842 O\n0.133497 0.265726 0.131392 O\n0.475012 0.587033 0.790576 O\n0.802713 0.922622 0.457074 O\n0.969462 0.592589 0.292927 O\n0.316230 0.916210 0.957158 O\n0.631838 0.253596 0.621032 O\n0.197516 0.577380 0.040853 O\n0.531076 0.898351 0.702035 O\n0.847726 0.255069 0.374543 O\n0.802484 0.422620 0.959147 O\n0.152274 0.744931 0.625457 O\n0.468924 0.101649 0.297965 O\n0.298112 0.421809 0.461402 O\n0.641796 0.760387 0.126832 O\n0.969670 0.087740 0.782109 O\n0.701888 0.578191 0.538598 O\n0.030330 0.912260 0.217891 O\n0.358204 0.239613 0.873168 O\n",
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{
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"structure_string": "Li11 V12 O24 F24\n1.0\n4.891963 0.000000 0.000000\n0.128173 7.843607 0.000000\n0.262275 2.147478 22.129695\nLi V O F\n11 12 24 24\ndirect\n0.759950 0.974740 0.875904 Li\n0.249899 0.362573 0.790683 Li\n0.247144 0.867911 0.801343 Li\n0.222185 0.771496 0.694111 Li\n0.754321 0.307923 0.543081 Li\n0.252407 0.201469 0.468286 Li\n0.251150 0.695258 0.457043 Li\n0.221262 0.109056 0.360214 Li\n0.758273 0.635890 0.207779 Li\n0.245347 0.028810 0.124933 Li\n0.214874 0.460258 0.043874 Li\n0.227539 0.211362 0.940593 V\n0.273731 0.718025 0.944854 V\n0.769872 0.121828 0.719799 V\n0.716666 0.609094 0.719416 V\n0.270973 0.052615 0.612802 V\n0.220599 0.542274 0.607553 V\n0.774573 0.453574 0.387232 V\n0.717080 0.942553 0.386115 V\n0.275356 0.387707 0.275359 V\n0.220184 0.874203 0.273938 V\n0.723148 0.273807 0.055317 V\n0.768474 0.790708 0.056172 V\n0.962169 0.302153 0.988960 O\n0.106323 0.018482 0.938856 O\n0.554005 0.804152 0.988869 O\n0.371861 0.519035 0.941911 O\n0.892594 0.314080 0.726312 O\n0.063711 0.015333 0.680868 O\n0.596337 0.806933 0.727174 O\n0.447543 0.531398 0.676765 O\n0.561994 0.145495 0.655160 O\n0.954758 0.637895 0.653797 O\n0.102127 0.348688 0.606796 O\n0.376137 0.855333 0.608181 O\n0.595573 0.140256 0.394053 O\n0.892583 0.647854 0.393042 O\n0.060657 0.353594 0.347032 O\n0.447777 0.864943 0.343332 O\n0.555319 0.473446 0.323435 O\n0.375786 0.188360 0.273694 O\n0.955411 0.971405 0.320807 O\n0.099235 0.681671 0.273113 O\n0.616504 0.473251 0.059902 O\n0.452142 0.199751 0.008891 O\n0.894340 0.982823 0.058783 O\n0.053383 0.688959 0.012493 O\n0.554235 0.181397 0.898087 F\n0.974054 0.736685 0.894351 F\n0.092731 0.318559 0.869299 F\n0.446884 0.831202 0.872989 F\n0.583550 0.498120 0.791196 F\n0.454260 0.123519 0.770503 F\n0.922381 0.004426 0.794523 F\n0.060999 0.645843 0.764590 F\n0.971540 0.067883 0.562749 F\n0.549303 0.515074 0.565516 F\n0.442774 0.166455 0.540521 F\n0.091891 0.649616 0.535696 F\n0.925548 0.336898 0.462004 F\n0.584067 0.831254 0.457760 F\n0.457263 0.455361 0.438398 F\n0.060762 0.980047 0.431285 F\n0.961815 0.394660 0.231475 F\n0.087370 0.982940 0.203157 F\n0.547261 0.847109 0.232108 F\n0.442558 0.497225 0.208121 F\n0.571846 0.165383 0.124642 F\n0.906747 0.677843 0.126971 F\n0.054143 0.283365 0.099517 F\n0.447319 0.815559 0.100764 F\n",
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},
{
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"structure_string": "La22 Mn24 O72\n1.0\n11.115509 0.020129 0.000000\n5.567926 5.596380 0.000000\n0.000000 0.000000 23.592156\nLa Mn O\n22 24 72\ndirect\n0.259241 0.003937 0.417199 La\n0.259241 0.003937 0.749468 La\n0.236175 0.503918 0.248992 La\n0.236175 0.503918 0.917675 La\n0.231654 0.509601 0.583333 La\n0.261473 0.494009 0.083333 La\n0.257395 0.499223 0.419013 La\n0.257395 0.499223 0.747654 La\n0.253285 0.984370 0.583333 La\n0.244099 0.991019 0.245917 La\n0.244099 0.991019 0.920750 La\n0.746715 0.015630 0.083333 La\n0.755901 0.008981 0.420750 La\n0.755901 0.008981 0.745917 La\n0.738527 0.505991 0.583333 La\n0.742605 0.500777 0.247654 La\n0.742605 0.500777 0.919013 La\n0.763825 0.496082 0.748992 La\n0.768346 0.490399 0.083333 La\n0.763825 0.496082 0.417675 La\n0.740759 0.996063 0.249468 La\n0.740759 0.996063 0.917199 La\n-0.000045 0.000573 0.001220 Mn\n-0.000045 0.000573 0.165447 Mn\n0.000000 0.000000 0.333333 Mn\n1.000045 0.999427 0.501220 Mn\n1.000045 0.999427 0.665447 Mn\n0.000000 0.000000 0.833333 Mn\n0.496678 0.000520 0.001309 Mn\n0.496678 0.000520 0.165358 Mn\n0.500000 0.000000 0.333333 Mn\n0.503322 0.999480 0.501309 Mn\n0.503322 0.999480 0.665358 Mn\n0.500000 0.000000 0.833333 Mn\n0.503154 0.494543 0.501413 Mn\n0.500000 0.500000 0.833333 Mn\n0.496846 0.505457 0.165254 Mn\n0.503154 0.494543 0.665254 Mn\n0.496846 0.505457 0.001413 Mn\n0.500000 0.500000 0.333333 Mn\n0.002553 0.495929 0.165710 Mn\n0.997447 0.504071 0.500957 Mn\n0.000000 0.500000 0.833333 Mn\n0.002553 0.495929 0.000957 Mn\n0.000000 0.500000 0.333333 Mn\n0.997447 0.504071 0.665710 Mn\n0.995480 0.255048 0.005655 O\n0.995480 0.255048 0.161011 O\n0.023227 0.228270 0.346306 O\n0.022800 0.227993 0.486267 O\n0.022800 0.227993 0.680400 O\n0.023227 0.228270 0.820361 O\n0.043810 0.424673 0.583333 O\n0.042939 0.426031 0.915622 O\n0.042939 0.426031 0.251045 O\n0.250020 0.275193 0.347599 O\n0.249593 0.290925 0.159645 O\n0.249593 0.290925 0.007021 O\n0.251188 0.263069 0.485935 O\n0.250020 0.275193 0.819068 O\n0.251188 0.263069 0.680732 O\n0.019094 0.926228 0.083333 O\n0.031389 0.933125 0.416013 O\n0.031389 0.933125 0.750654 O\n0.468721 0.071007 0.251292 O\n0.447862 0.071850 0.583333 O\n0.468721 0.071007 0.915375 O\n0.248645 0.728216 0.181203 O\n0.249558 0.728518 0.319205 O\n0.251217 0.731390 0.512515 O\n0.249558 0.728518 0.847462 O\n0.251217 0.731390 0.654151 O\n0.248645 0.728216 0.985464 O\n0.526459 0.223571 0.346862 O\n0.520689 0.228671 0.157610 O\n0.520689 0.228671 0.009056 O\n0.526459 0.223571 0.819805 O\n0.508634 0.241490 0.682579 O\n0.508634 0.241490 0.484088 O\n0.457686 0.572526 0.751572 O\n0.472593 0.530117 0.083333 O\n0.457686 0.572526 0.415095 O\n0.527407 0.469883 0.583333 O\n0.542314 0.427474 0.251572 O\n0.542314 0.427474 0.915095 O\n0.479311 0.771329 0.657610 O\n0.491366 0.758510 0.182579 O\n0.473541 0.776429 0.319805 O\n0.479311 0.771329 0.509056 O\n0.473541 0.776429 0.846862 O\n0.491366 0.758510 0.984088 O\n0.751355 0.271784 0.485464 O\n0.750442 0.271482 0.347462 O\n0.751355 0.271784 0.681203 O\n0.748783 0.268610 0.154151 O\n0.748783 0.268610 0.012515 O\n0.750442 0.271482 0.819205 O\n0.531279 0.928993 0.415375 O\n0.552138 0.928150 0.083333 O\n0.531279 0.928993 0.751292 O\n0.968611 0.066875 0.250654 O\n0.980906 0.073772 0.583333 O\n0.968611 0.066875 0.916013 O\n0.750407 0.709075 0.507021 O\n0.749980 0.724807 0.847599 O\n0.748812 0.736931 0.180732 O\n0.749980 0.724807 0.319068 O\n0.750407 0.709075 0.659645 O\n0.748812 0.736931 0.985935 O\n0.956190 0.575327 0.083333 O\n0.957061 0.573969 0.415622 O\n0.957061 0.573969 0.751045 O\n0.977200 0.772007 0.180400 O\n0.976773 0.771730 0.320361 O\n0.004520 0.744952 0.505655 O\n0.976773 0.771730 0.846306 O\n0.004520 0.744952 0.661011 O\n0.977200 0.772007 0.986267 O\n",
"nsites": 118,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.264257923914676,
"density_atomic": 0.0805491558748444,
"volume": 1464.9439676729319,
"volume_molar": 7.476354897321428,
"formula_full": "La22 Mn24 O72",
"formula_reduced": "La11Mn12O36",
"formula_anonymous": "A11B12C36",
"energy": -1028.13369741,
"energy_per_atom": -8.712997435677966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -938.63769741,
"band_gap": 0.0060000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 89.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.666000Z",
"spacegroup": 11
},
{
"id": "mp-766296",
"created_at": "2022-09-04T14:44:18.218398Z",
"structure_string": "La11 Mn12 O36\n1.0\n8.366469 4.830182 0.000000\n-8.366469 4.830182 0.000000\n0.000000 3.220767 8.974075\nLa Mn O\n11 12 36\ndirect\n0.206327 0.281373 0.259475 La\n0.045589 0.469230 0.741106 La\n0.791627 0.208373 0.500000 La\n0.879434 0.630281 0.257040 La\n0.530770 0.954411 0.258894 La\n0.958704 0.041296 0.000000 La\n0.718627 0.793673 0.740525 La\n0.458462 0.541538 0.500000 La\n0.291130 0.708870 0.000000 La\n0.625121 0.374879 0.000000 La\n0.369719 0.120566 0.742960 La\n0.167685 0.585972 0.375230 Mn\n0.084374 0.164927 0.624747 Mn\n0.835073 0.915626 0.375253 Mn\n0.916298 0.333011 0.125678 Mn\n0.001367 0.751089 0.871578 Mn\n0.666989 0.083702 0.874322 Mn\n0.752416 0.503254 0.624259 Mn\n0.414028 0.832315 0.624770 Mn\n0.496746 0.247584 0.375741 Mn\n0.584023 0.667411 0.123326 Mn\n0.332589 0.415977 0.876674 Mn\n0.248911 0.998633 0.128422 Mn\n0.174815 0.764681 0.234483 O\n0.061849 0.432558 0.251994 O\n0.235319 0.825185 0.765517 O\n0.162428 0.393657 0.499652 O\n0.053571 0.002413 0.234627 O\n0.732948 0.336492 0.251651 O\n0.937009 0.498108 0.499613 O\n0.828127 0.104407 0.252564 O\n0.227851 0.272195 0.751487 O\n0.878203 0.588867 0.764788 O\n0.936644 0.063356 0.500000 O\n0.411133 0.121797 0.235212 O\n0.727805 0.772149 0.248513 O\n0.998047 0.559257 0.001994 O\n0.895593 0.171873 0.747436 O\n0.807846 0.716606 0.499878 O\n0.501892 0.062991 0.500387 O\n0.396555 0.664904 0.249314 O\n0.102835 0.333711 0.001064 O\n0.997587 0.946429 0.765373 O\n0.663508 0.267052 0.748349 O\n0.606343 0.837572 0.500348 O\n0.503047 0.439682 0.248747 O\n0.770872 0.229128 0.000000 O\n0.105740 0.894260 0.000000 O\n0.567442 0.938151 0.748006 O\n0.606700 0.393300 0.500000 O\n0.283487 0.716513 0.500000 O\n0.666289 0.897165 0.998936 O\n0.560318 0.496953 0.751253 O\n0.440743 0.001953 0.998006 O\n0.771387 0.668829 0.000787 O\n0.335096 0.603445 0.750686 O\n0.283394 0.192154 0.500122 O\n0.438473 0.561527 0.000000 O\n0.331171 0.228613 0.999213 O\n",
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"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "La-Mn-O",
"density": 6.326088412954694,
"density_atomic": 0.0813442051464411,
"volume": 725.3128836133365,
"volume_molar": 7.403281830781372,
"formula_full": "La11 Mn12 O36",
"formula_reduced": "La11Mn12O36",
"formula_anonymous": "A11B12C36",
"energy": -514.2196333100001,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -469.47163331,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 45.0103529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.695000Z",
"spacegroup": 5
}
]
}