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Mg\n0.244206 0.307633 0.603351 Mg\n0.251012 0.111102 0.153135 Mg\n0.251012 0.388898 0.346865 Mg\n0.748988 0.888898 0.846865 Mg\n0.748988 0.611102 0.653135 Mg\n0.313806 0.750000 0.250000 Mn\n0.686194 0.250000 0.750000 Mn\n0.747525 0.260802 0.456264 Mn\n0.747525 0.239198 0.043736 Mn\n0.252475 0.739198 0.543736 Mn\n0.252475 0.760802 0.956264 Mn\n0.750701 0.011616 0.430576 N\n0.750701 0.488384 0.069424 N\n0.249299 0.988384 0.569424 N\n0.249299 0.511616 0.930576 N\n0.725656 0.750000 0.250000 N\n0.274344 0.250000 0.750000 N\n0.254110 0.826446 0.073689 N\n0.254110 0.673554 0.426311 N\n0.745890 0.173554 0.926311 N\n0.745890 0.326446 0.573689 N\n0.244361 0.022892 0.282401 N\n0.244361 0.477108 0.217599 N\n0.755639 0.977108 0.717599 N\n0.755639 0.522892 0.782401 N\n0.751804 0.376434 0.358319 N\n0.751804 0.123566 0.141681 N\n0.248196 0.623566 0.641681 N\n0.248196 0.876434 0.858319 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0.625827 0.577480 Ba\n0.514312 0.126311 0.586020 Ba\n0.485688 0.626311 0.913980 Ba\n0.485688 0.873689 0.413980 Ba\n0.514312 0.373689 0.086020 Ba\n0.718830 0.861750 0.721283 Ba\n0.281170 0.361750 0.778717 Ba\n0.281170 0.138250 0.278717 Ba\n0.718830 0.638250 0.221283 Ba\n0.739261 0.385151 0.730716 Ba\n0.260739 0.885151 0.769284 Ba\n0.260739 0.614849 0.269284 Ba\n0.739261 0.114849 0.230716 Ba\n0.793431 0.374635 0.942525 Ba\n0.206569 0.874635 0.557475 Ba\n0.206569 0.625365 0.057475 Ba\n0.793431 0.125365 0.442525 Ba\n0.937368 0.127100 0.855761 Ba\n0.062632 0.627100 0.644239 Ba\n0.062632 0.872900 0.144239 Ba\n0.937368 0.372900 0.355761 Ba\n0.002617 0.124788 0.646971 Ba\n0.997383 0.624788 0.853029 Ba\n0.997383 0.875212 0.353029 Ba\n0.002617 0.375212 0.146971 Ba\n0.185333 0.369682 0.549647 Ba\n0.814667 0.869682 0.950353 Ba\n0.814667 0.630318 0.450353 Ba\n0.185333 0.130318 0.049647 Ba\n0.554271 0.139297 0.755097 Mn\n0.445729 0.639297 0.744903 Mn\n0.445729 0.860703 0.244903 Mn\n0.554271 0.360703 0.255097 Mn\n0.798555 0.873566 0.564398 Mn\n0.201445 0.373566 0.935602 Mn\n0.201445 0.126434 0.435602 Mn\n0.798555 0.626434 0.064398 Mn\n0.793137 0.376609 0.567541 Mn\n0.206863 0.876609 0.932459 Mn\n0.206863 0.623391 0.432459 Mn\n0.793137 0.123391 0.067541 Mn\n0.584862 0.376079 0.574305 N\n0.415138 0.876079 0.925695 N\n0.415138 0.623921 0.425695 N\n0.584862 0.123921 0.074305 N\n0.603562 0.241288 0.822357 N\n0.396438 0.741288 0.677643 N\n0.396438 0.758712 0.177643 N\n0.603562 0.258712 0.322357 N\n0.832653 0.121806 0.985534 N\n0.167347 0.621806 0.514466 N\n0.167347 0.878194 0.014466 N\n0.832653 0.378194 0.485534 N\n0.590724 0.878300 0.568772 N\n0.409276 0.378300 0.931228 N\n0.409276 0.121700 0.431228 N\n0.590724 0.621700 0.068772 N\n0.732369 0.113303 0.721529 N\n0.267631 0.613303 0.778471 N\n0.267631 0.886697 0.278471 N\n0.732369 0.386697 0.221529 N\n0.969690 0.379382 0.640250 N\n0.030310 0.879382 0.859750 N\n0.030310 0.620618 0.359750 N\n0.969690 0.120618 0.140250 N\n0.036348 0.372411 0.857987 N\n0.963652 0.872411 0.642013 N\n0.963652 0.627589 0.142013 N\n0.036348 0.127589 0.357987 N\n0.153186 0.126635 0.514788 N\n0.846814 0.626635 0.985212 N\n0.846814 0.873365 0.485212 N\n0.153186 0.373365 0.014788 N\n0.345500 0.123445 0.705544 N\n0.654500 0.623445 0.794456 N\n0.654500 0.876555 0.294456 N\n0.345500 0.376555 0.205544 N\n","nsites":80,"nelements":3,"elements":["Ba","Mn","N"],"chemical_system":"Ba-Mn-N","density":5.270931113218589,"density_atomic":0.04568910776422192,"volume":1750.9643745471901,"volume_molar":13.180692411585676,"formula_full":"Ba32 Mn12 N36","formula_reduced":"Ba8(MnN3)3","formula_anonymous":"A3B8C9","energy":-535.5949501499999,"energy_per_atom":-6.6949368768749995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-522.59895015,"band_gap":0.0013999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9971089,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.575000Z","spacegroup":14},{"id":"mp-1202782","created_at":"2022-09-04T14:43:24.366102Z","structure_string":"Hg6 Pd16 Se18\n1.0\n6.573887 0.000000 0.000000\n0.000000 7.381799 0.000000\n0.000000 0.000000 17.094488\nHg Pd Se\n6 16 18\ndirect\n0.120738 0.500000 0.294653 Hg\n0.120738 0.500000 0.705347 Hg\n0.879262 0.000000 0.205347 Hg\n0.879262 0.000000 0.794653 Hg\n0.293824 0.500000 0.000000 Hg\n0.706176 0.000000 0.500000 Hg\n0.533758 0.500000 0.763986 Pd\n0.533758 0.500000 0.236014 Pd\n0.466242 0.000000 0.736014 Pd\n0.466242 0.000000 0.263986 Pd\n0.963074 0.261701 0.411323 Pd\n0.963074 0.738299 0.411323 Pd\n0.963074 0.261701 0.588677 Pd\n0.963074 0.738299 0.588677 Pd\n0.036926 0.238299 0.088677 Pd\n0.036926 0.761701 0.088677 Pd\n0.036926 0.238299 0.911323 Pd\n0.036926 0.761701 0.911323 Pd\n0.401024 0.500000 0.414923 Pd\n0.401024 0.500000 0.585077 Pd\n0.598976 0.000000 0.085077 Pd\n0.598976 0.000000 0.914923 Pd\n0.616693 0.265284 0.340417 Se\n0.616693 0.734716 0.340417 Se\n0.616693 0.265284 0.659583 Se\n0.616693 0.734716 0.659583 Se\n0.383307 0.234716 0.159583 Se\n0.383307 0.765284 0.159583 Se\n0.383307 0.234716 0.840417 Se\n0.383307 0.765284 0.840417 Se\n0.894101 0.500000 0.833247 Se\n0.894101 0.500000 0.166753 Se\n0.105899 0.000000 0.666753 Se\n0.105899 0.000000 0.333247 Se\n0.270716 0.756042 0.500000 Se\n0.270716 0.243958 0.500000 Se\n0.729284 0.743958 0.000000 Se\n0.729284 0.256042 0.000000 Se\n0.806445 0.500000 0.500000 Se\n0.193555 0.000000 0.000000 Se\n","nsites":40,"nelements":3,"elements":["Hg","Pd","Se"],"chemical_system":"Hg-Pd-Se","density":8.662627512025944,"density_atomic":0.04821913812179374,"volume":829.5461420103875,"volume_molar":12.489109085253757,"formula_full":"Hg6 Pd16 Se18","formula_reduced":"Hg3Pd8Se9","formula_anonymous":"A3B8C9","energy":-168.74291573,"energy_per_atom":-4.21857289325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.24691573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029028,"is_theoretical":false,"updated_at":"2021-11-28T01:36:19.427000Z","spacegroup":59},{"id":"mp-1245427","created_at":"2022-09-04T14:44:29.651872Z","structure_string":"Mn12 Ni32 N36\n1.0\n5.848859 0.000000 0.470368\n0.000000 9.634362 0.000000\n-2.825662 0.000000 14.488294\nMn Ni N\n12 32 36\ndirect\n0.483106 0.057037 0.759948 Mn\n0.516894 0.557037 0.740052 Mn\n0.516894 0.942963 0.240052 Mn\n0.483106 0.442963 0.259948 Mn\n0.763938 0.831840 0.553435 Mn\n0.236062 0.331840 0.946565 Mn\n0.236062 0.168160 0.446565 Mn\n0.763938 0.668160 0.053435 Mn\n0.769550 0.369355 0.591001 Mn\n0.230450 0.869355 0.908999 Mn\n0.230450 0.630645 0.408999 Mn\n0.769550 0.130645 0.091001 Mn\n0.548582 0.878986 0.083531 Ni\n0.451418 0.378986 0.416469 Ni\n0.451418 0.121014 0.916469 Ni\n0.548582 0.621014 0.583531 Ni\n0.578650 0.067128 0.582418 Ni\n0.421350 0.567128 0.917582 Ni\n0.421350 0.932872 0.417582 Ni\n0.578650 0.432872 0.082418 Ni\n0.808043 0.842411 0.744548 Ni\n0.191957 0.342411 0.755452 Ni\n0.191957 0.157589 0.255452 Ni\n0.808043 0.657589 0.244548 Ni\n0.738767 0.320247 0.788830 Ni\n0.261233 0.820247 0.711170 Ni\n0.261233 0.679753 0.211170 Ni\n0.738767 0.179753 0.288830 Ni\n0.828831 0.328062 0.974488 Ni\n0.171169 0.828062 0.525512 Ni\n0.171169 0.671938 0.025512 Ni\n0.828831 0.171938 0.474488 Ni\n0.004433 0.095730 0.900626 Ni\n0.995567 0.595730 0.599374 Ni\n0.995567 0.904270 0.099374 Ni\n0.004433 0.404270 0.400626 Ni\n0.980553 0.105152 0.646250 Ni\n0.019447 0.605152 0.853750 Ni\n0.019447 0.894848 0.353750 Ni\n0.980553 0.394848 0.146250 Ni\n0.295810 0.324482 0.585832 Ni\n0.704190 0.824482 0.914168 Ni\n0.704190 0.675518 0.414168 Ni\n0.295810 0.175518 0.085832 Ni\n0.522891 0.444105 0.635093 N\n0.477109 0.944105 0.864907 N\n0.477109 0.555895 0.364907 N\n0.522891 0.055895 0.135093 N\n0.453855 0.228916 0.799152 N\n0.546145 0.728916 0.700848 N\n0.546145 0.771084 0.200848 N\n0.453855 0.271084 0.299152 N\n0.756874 0.132076 0.973337 N\n0.243126 0.632076 0.526663 N\n0.243126 0.867924 0.026663 N\n0.756874 0.367924 0.473337 N\n0.474003 0.885634 0.541796 N\n0.525997 0.385634 0.958204 N\n0.525997 0.114366 0.458204 N\n0.474003 0.614366 0.041796 N\n0.728946 0.031594 0.697093 N\n0.271054 0.531594 0.802907 N\n0.271054 0.968406 0.302907 N\n0.728946 0.468406 0.197093 N\n0.049629 0.415369 0.640319 N\n0.950371 0.915369 0.859681 N\n0.950371 0.584631 0.359681 N\n0.049629 0.084631 0.140319 N\n0.015268 0.279796 0.857478 N\n0.984732 0.779796 0.642522 N\n0.984732 0.720204 0.142522 N\n0.015268 0.220204 0.357478 N\n0.112873 0.172647 0.548085 N\n0.887127 0.672647 0.951915 N\n0.887127 0.827353 0.451915 N\n0.112873 0.327353 0.048085 N\n0.234965 0.011364 0.697449 N\n0.765035 0.511364 0.802551 N\n0.765035 0.988636 0.302551 N\n0.234965 0.488636 0.197449 N\n","nsites":80,"nelements":3,"elements":["Mn","Ni","N"],"chemical_system":"Mn-N-Ni","density":6.091067090419951,"density_atomic":0.09647611725247364,"volume":829.2207675672065,"volume_molar":6.242105229256201,"formula_full":"Mn12 Ni32 N36","formula_reduced":"Mn3Ni8N9","formula_anonymous":"A3B8C9","energy":-589.1175465,"energy_per_atom":-7.36396933125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-576.1215465,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7526042,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.683000Z","spacegroup":14},{"id":"mp-1245345","created_at":"2022-09-04T14:40:39.529366Z","structure_string":"Mn12 Cd32 N36\n1.0\n7.014177 0.000000 -0.471757\n0.000000 10.488721 0.000000\n-6.034821 0.000000 17.897482\nMn Cd N\n12 32 36\ndirect\n0.504755 0.090179 0.739438 Mn\n0.495245 0.590179 0.760562 Mn\n0.495245 0.909821 0.260562 Mn\n0.504755 0.409821 0.239438 Mn\n0.858133 0.878734 0.591535 Mn\n0.141867 0.378734 0.908465 Mn\n0.141867 0.121266 0.408465 Mn\n0.858133 0.621266 0.091535 Mn\n0.784332 0.391674 0.571632 Mn\n0.215668 0.891674 0.928368 Mn\n0.215668 0.608326 0.428368 Mn\n0.784332 0.108326 0.071632 Mn\n0.566229 0.924914 0.124759 Cd\n0.433771 0.424914 0.375241 Cd\n0.433771 0.075086 0.875241 Cd\n0.566229 0.575086 0.624759 Cd\n0.572020 0.110025 0.579017 Cd\n0.427980 0.610025 0.920983 Cd\n0.427980 0.889975 0.420983 Cd\n0.572020 0.389975 0.079017 Cd\n0.826555 0.830253 0.761029 Cd\n0.173445 0.330253 0.738971 Cd\n0.173445 0.169746 0.238971 Cd\n0.826555 0.669747 0.261029 Cd\n0.672577 0.358583 0.733448 Cd\n0.327423 0.858583 0.766552 Cd\n0.327423 0.641417 0.266552 Cd\n0.672577 0.141417 0.233448 Cd\n0.673444 0.337044 0.904945 Cd\n0.326556 0.837044 0.595055 Cd\n0.326556 0.662956 0.095055 Cd\n0.673444 0.162956 0.404945 Cd\n0.021031 0.119735 0.858661 Cd\n0.978969 0.619735 0.641339 Cd\n0.978969 0.880265 0.141339 Cd\n0.021031 0.380265 0.358661 Cd\n0.023056 0.108166 0.586203 Cd\n0.976944 0.608166 0.913797 Cd\n0.976944 0.891834 0.413797 Cd\n0.023056 0.391834 0.086203 Cd\n0.223607 0.359140 0.540673 Cd\n0.776393 0.859140 0.959327 Cd\n0.776393 0.640860 0.459327 Cd\n0.223607 0.140860 0.040673 Cd\n0.590611 0.330131 0.601625 N\n0.409389 0.830131 0.898375 N\n0.409389 0.669869 0.398375 N\n0.590611 0.169869 0.101625 N\n0.477600 0.230024 0.786687 N\n0.522400 0.730024 0.713313 N\n0.522400 0.769976 0.213313 N\n0.477600 0.269976 0.286687 N\n0.720863 0.074054 0.978720 N\n0.279137 0.574054 0.521280 N\n0.279137 0.925946 0.021280 N\n0.720863 0.425946 0.478720 N\n0.596396 0.884690 0.556742 N\n0.403604 0.384690 0.943258 N\n0.403604 0.115310 0.443258 N\n0.596396 0.615310 0.056742 N\n0.739215 0.034839 0.773760 N\n0.260785 0.534839 0.726240 N\n0.260785 0.965161 0.226240 N\n0.739215 0.465161 0.273760 N\n0.029497 0.321769 0.612544 N\n0.970503 0.821769 0.887456 N\n0.970503 0.678231 0.387456 N\n0.029497 0.178231 0.112544 N\n0.001809 0.323924 0.814188 N\n0.998191 0.823924 0.685812 N\n0.998191 0.676076 0.185812 N\n0.001809 0.176076 0.314188 N\n0.025897 0.182605 0.467794 N\n0.974103 0.682605 0.032206 N\n0.974103 0.817395 0.532206 N\n0.025897 0.317395 0.967794 N\n0.359959 0.051842 0.646075 N\n0.640041 0.551842 0.853925 N\n0.640041 0.948158 0.353925 N\n0.359959 0.448158 0.146075 N\n","nsites":80,"nelements":3,"elements":["Mn","Cd","N"],"chemical_system":"Cd-Mn-N","density":6.143087204663425,"density_atomic":0.06216720469794123,"volume":1286.8521335116316,"volume_molar":9.687005856641697,"formula_full":"Mn12 Cd32 N36","formula_reduced":"Mn3Cd8N9","formula_anonymous":"A3B8C9","energy":-421.4929995,"energy_per_atom":-5.26866249375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-408.4969995,"band_gap":0.0155000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000026,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.232000Z","spacegroup":14},{"id":"mp-1246785","created_at":"2022-09-04T14:46:29.046081Z","structure_string":"Mn12 Fe32 N36\n1.0\n6.495587 0.000000 0.563142\n0.000000 7.320571 0.000000\n-3.117761 0.000000 15.796901\nMn Fe N\n12 32 36\ndirect\n0.460818 0.099135 0.736195 Mn\n0.539182 0.599135 0.763805 Mn\n0.539182 0.900865 0.263805 Mn\n0.460818 0.400865 0.236195 Mn\n0.748639 0.798555 0.548832 Mn\n0.251361 0.298555 0.951168 Mn\n0.251361 0.201445 0.451168 Mn\n0.748639 0.701445 0.048832 Mn\n0.737634 0.452646 0.551848 Mn\n0.262366 0.952646 0.948152 Mn\n0.262366 0.547354 0.448152 Mn\n0.737634 0.047354 0.051848 Mn\n0.441839 0.867286 0.107438 Fe\n0.558161 0.367286 0.392562 Fe\n0.558161 0.132714 0.892562 Fe\n0.441839 0.632714 0.607438 Fe\n0.515923 0.123427 0.568431 Fe\n0.484077 0.623427 0.931569 Fe\n0.484077 0.876573 0.431569 Fe\n0.515923 0.376573 0.068431 Fe\n0.730382 0.842506 0.707632 Fe\n0.269618 0.342506 0.792368 Fe\n0.269618 0.157494 0.292368 Fe\n0.730382 0.657494 0.207632 Fe\n0.728975 0.360311 0.705050 Fe\n0.271025 0.860311 0.794950 Fe\n0.271025 0.639689 0.294950 Fe\n0.728975 0.139689 0.205050 Fe\n0.757018 0.409380 0.886198 Fe\n0.242982 0.909380 0.613802 Fe\n0.242982 0.590620 0.113802 Fe\n0.757018 0.090620 0.386198 Fe\n0.984497 0.115147 0.870958 Fe\n0.015503 0.615147 0.629042 Fe\n0.015503 0.884853 0.129042 Fe\n0.984497 0.384853 0.370958 Fe\n0.972685 0.109210 0.662565 Fe\n0.027315 0.609210 0.837435 Fe\n0.027315 0.890790 0.337435 Fe\n0.972685 0.390790 0.162565 Fe\n0.236045 0.337821 0.612385 Fe\n0.763955 0.837821 0.887615 Fe\n0.763955 0.662179 0.387615 Fe\n0.236045 0.162179 0.112385 Fe\n0.526490 0.385940 0.612995 N\n0.473510 0.885940 0.887005 N\n0.473510 0.614060 0.387005 N\n0.526490 0.114060 0.112995 N\n0.563630 0.308775 0.797073 N\n0.436370 0.808775 0.702927 N\n0.436370 0.691225 0.202927 N\n0.563630 0.191225 0.297073 N\n0.810627 0.063006 0.944960 N\n0.189373 0.563006 0.555040 N\n0.189373 0.936994 0.055040 N\n0.810627 0.436994 0.444960 N\n0.467558 0.849504 0.545890 N\n0.532442 0.349504 0.954110 N\n0.532442 0.150496 0.454110 N\n0.467558 0.650496 0.045890 N\n0.690808 0.094871 0.671622 N\n0.309192 0.594871 0.828378 N\n0.309192 0.905129 0.328378 N\n0.690808 0.405129 0.171622 N\n0.944561 0.362427 0.629926 N\n0.055439 0.862427 0.870074 N\n0.055439 0.637573 0.370073 N\n0.944561 0.137573 0.129927 N\n0.041261 0.361565 0.869733 N\n0.958739 0.861565 0.630267 N\n0.958739 0.638435 0.130267 N\n0.041261 0.138435 0.369733 N\n0.212620 0.122041 0.554082 N\n0.787380 0.622041 0.945918 N\n0.787380 0.877959 0.445918 N\n0.212620 0.377959 0.054082 N\n0.177333 0.107119 0.751189 N\n0.822667 0.607119 0.748811 N\n0.822667 0.892881 0.248811 N\n0.177333 0.392881 0.251189 N\n","nsites":80,"nelements":3,"elements":["Mn","Fe","N"],"chemical_system":"Fe-Mn-N","density":6.412785981622208,"density_atomic":0.10470959062107643,"volume":764.01788532919,"volume_molar":5.751279060762402,"formula_full":"Mn12 Fe32 N36","formula_reduced":"Mn3Fe8N9","formula_anonymous":"A3B8C9","energy":-686.4409757199999,"energy_per_atom":-8.580512196499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-673.44497572,"band_gap":0.0016999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0237223,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.469000Z","spacegroup":14},{"id":"mp-1224112","created_at":"2022-09-04T14:46:32.813883Z","structure_string":"Ho8 Al3 Ge9\n1.0\n2.036918 5.260867 0.000000\n-2.036918 5.260867 0.000000\n0.000000 3.565564 19.817582\nHo Al Ge\n8 3 9\ndirect\n0.464625 0.464625 0.678428 Ho\n0.709179 0.709179 0.929194 Ho\n0.965691 0.965691 0.178720 Ho\n0.214896 0.214896 0.428073 Ho\n0.785104 0.785104 0.571927 Ho\n0.034309 0.034309 0.821280 Ho\n0.290821 0.290821 0.070806 Ho\n0.535375 0.535375 0.321572 Ho\n0.250178 0.250178 0.250511 Al\n0.500000 0.500000 0.500000 Al\n0.749822 0.749822 0.749489 Al\n0.178689 0.178689 0.678273 Ge\n0.423999 0.423999 0.925288 Ge\n0.681891 0.681891 0.179900 Ge\n0.929181 0.929181 0.428456 Ge\n0.070819 0.070819 0.571544 Ge\n0.318109 0.318109 0.820100 Ge\n0.576001 0.576001 0.074712 Ge\n0.821311 0.821311 0.321727 Ge\n0.000000 0.000000 0.000000 Ge\n","nsites":20,"nelements":3,"elements":["Ho","Al","Ge"],"chemical_system":"Al-Ge-Ho","density":8.030990758622677,"density_atomic":0.04708889156256573,"volume":424.72862147172316,"volume_molar":12.788877716517376,"formula_full":"Ho8 Al3 Ge9","formula_reduced":"Ho8(AlGe3)3","formula_anonymous":"A3B8C9","energy":-104.07367032,"energy_per_atom":-5.203683516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.07367032,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011816,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.297000Z","spacegroup":12},{"id":"mp-1246722","created_at":"2022-09-04T14:44:26.076612Z","structure_string":"Mn12 Cr32 N36\n1.0\n6.360389 0.000000 0.387466\n0.000000 7.686188 0.000000\n-3.505493 0.000000 15.938254\nMn Cr N\n12 32 36\ndirect\n0.535659 0.094759 0.748426 Mn\n0.464341 0.594759 0.751574 Mn\n0.464341 0.905241 0.251574 Mn\n0.535659 0.405241 0.248426 Mn\n0.824093 0.835226 0.529552 Mn\n0.175907 0.335226 0.970448 Mn\n0.175907 0.164774 0.470448 Mn\n0.824093 0.664774 0.029552 Mn\n0.848355 0.405506 0.532157 Mn\n0.151645 0.905506 0.967843 Mn\n0.151645 0.594494 0.467843 Mn\n0.848355 0.094494 0.032157 Mn\n0.566063 0.865190 0.095334 Cr\n0.433937 0.365190 0.404666 Cr\n0.433937 0.134810 0.904666 Cr\n0.566063 0.634810 0.595334 Cr\n0.540379 0.125928 0.576481 Cr\n0.459621 0.625928 0.923519 Cr\n0.459621 0.874072 0.423519 Cr\n0.540379 0.374072 0.076481 Cr\n0.839845 0.860372 0.729449 Cr\n0.160155 0.360372 0.770551 Cr\n0.160155 0.139628 0.270551 Cr\n0.839845 0.639628 0.229449 Cr\n0.745621 0.342223 0.682485 Cr\n0.254379 0.842223 0.817515 Cr\n0.254379 0.657777 0.317515 Cr\n0.745621 0.157777 0.182485 Cr\n0.691929 0.367146 0.873985 Cr\n0.308071 0.867146 0.626015 Cr\n0.308071 0.632854 0.126015 Cr\n0.691929 0.132854 0.373985 Cr\n0.944371 0.110634 0.837773 Cr\n0.055629 0.610634 0.662227 Cr\n0.055629 0.889366 0.162227 Cr\n0.944371 0.389366 0.337773 Cr\n0.037199 0.102582 0.661903 Cr\n0.962801 0.602582 0.838097 Cr\n0.962801 0.897418 0.338097 Cr\n0.037199 0.397418 0.161903 Cr\n0.284841 0.367057 0.598519 Cr\n0.715159 0.867057 0.901481 Cr\n0.715159 0.632943 0.401481 Cr\n0.284841 0.132943 0.098519 Cr\n0.585130 0.381305 0.575434 N\n0.414870 0.881305 0.924566 N\n0.414870 0.618695 0.424565 N\n0.585130 0.118695 0.075435 N\n0.432158 0.271585 0.807728 N\n0.567842 0.771585 0.692272 N\n0.567842 0.728415 0.192272 N\n0.432158 0.228415 0.307728 N\n0.743184 0.119996 0.917672 N\n0.256816 0.619996 0.582328 N\n0.256816 0.880004 0.082328 N\n0.743184 0.380004 0.417672 N\n0.535566 0.870508 0.547010 N\n0.464434 0.370508 0.952990 N\n0.464434 0.129492 0.452990 N\n0.535566 0.629492 0.047010 N\n0.742062 0.090465 0.677924 N\n0.257938 0.590465 0.822076 N\n0.257938 0.909535 0.322076 N\n0.742062 0.409535 0.177924 N\n0.028997 0.358655 0.655540 N\n0.971003 0.858655 0.844460 N\n0.971003 0.641345 0.344460 N\n0.028997 0.141345 0.155540 N\n0.009876 0.346689 0.865868 N\n0.990124 0.846689 0.634132 N\n0.990124 0.653311 0.134132 N\n0.009876 0.153311 0.365868 N\n0.243208 0.106497 0.582804 N\n0.756792 0.606497 0.917196 N\n0.756792 0.893503 0.417196 N\n0.243208 0.393503 0.082804 N\n0.275319 0.987556 0.728541 N\n0.724681 0.487556 0.771459 N\n0.724681 0.012444 0.271459 N\n0.275319 0.512444 0.228541 N\n","nsites":80,"nelements":3,"elements":["Mn","Cr","N"],"chemical_system":"Cr-Mn-N","density":5.945884728229467,"density_atomic":0.10131512339792377,"volume":789.6155807439842,"volume_molar":5.943970216911774,"formula_full":"Mn12 Cr32 N36","formula_reduced":"Mn3Cr8N9","formula_anonymous":"A3B8C9","energy":-750.6615656500001,"energy_per_atom":-9.383269570625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-737.66556565,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.3569255,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.032000Z","spacegroup":14}]}