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{
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"results": [
{
"id": "mp-540753",
"created_at": "2022-09-04T14:42:21.068322Z",
"structure_string": "K4 Ce4 P16 O48\n1.0\n13.508024 0.000000 0.000000\n0.000000 7.523325 0.000000\n0.000000 7.516528 10.265560\nK Ce P O\n4 4 16 48\ndirect\n0.774803 0.934924 0.067371 K\n0.274803 0.065076 0.432629 K\n0.225197 0.065076 0.932629 K\n0.725197 0.934924 0.567371 K\n0.220386 0.469237 0.022273 Ce\n0.720386 0.530763 0.477727 Ce\n0.779614 0.530763 0.977727 Ce\n0.279614 0.469237 0.522273 Ce\n0.401274 0.987904 0.247102 P\n0.901274 0.012096 0.252898 P\n0.598726 0.012096 0.752898 P\n0.098726 0.987904 0.747102 P\n0.112682 0.896033 0.241243 P\n0.612682 0.103967 0.258757 P\n0.887318 0.103967 0.758757 P\n0.387318 0.896033 0.741243 P\n0.376353 0.645609 0.201410 P\n0.876353 0.354391 0.298590 P\n0.623647 0.354391 0.798590 P\n0.123647 0.645609 0.701410 P\n0.591072 0.542260 0.204836 P\n0.091072 0.457740 0.295164 P\n0.408928 0.457740 0.795164 P\n0.908928 0.542260 0.704836 P\n0.298094 0.655384 0.114394 O\n0.798094 0.344616 0.385606 O\n0.701906 0.344616 0.885606 O\n0.201906 0.655384 0.614394 O\n0.080648 0.724223 0.209454 O\n0.580648 0.275777 0.290546 O\n0.919352 0.275777 0.790546 O\n0.419352 0.724223 0.709454 O\n0.686291 0.207475 0.149552 O\n0.186291 0.792525 0.350448 O\n0.313709 0.792525 0.850448 O\n0.813709 0.207475 0.649552 O\n0.141278 0.105214 0.113012 O\n0.641278 0.894786 0.386988 O\n0.858722 0.894786 0.886988 O\n0.358722 0.105214 0.613012 O\n0.381529 0.892999 0.163278 O\n0.881529 0.107001 0.336722 O\n0.618471 0.107001 0.836722 O\n0.118471 0.892999 0.663278 O\n0.337684 0.189377 0.191498 O\n0.837684 0.810623 0.308502 O\n0.662316 0.810623 0.808502 O\n0.162316 0.189377 0.691498 O\n0.480314 0.623104 0.148389 O\n0.980314 0.376896 0.351611 O\n0.519686 0.376896 0.851611 O\n0.019686 0.623104 0.648389 O\n0.513653 0.071136 0.202724 O\n0.013653 0.928864 0.297276 O\n0.486347 0.928864 0.797276 O\n0.986347 0.071136 0.702724 O\n0.656148 0.627424 0.088619 O\n0.156148 0.372576 0.411381 O\n0.343852 0.372576 0.911381 O\n0.843852 0.627424 0.588619 O\n0.893817 0.190483 0.108753 O\n0.393817 0.809517 0.391247 O\n0.106183 0.809517 0.891247 O\n0.606183 0.190483 0.608753 O\n0.867217 0.521157 0.153832 O\n0.367217 0.478843 0.346168 O\n0.132783 0.478843 0.846168 O\n0.632783 0.521157 0.653832 O\n0.115821 0.397726 0.204583 O\n0.615821 0.602274 0.295417 O\n0.884179 0.602274 0.795417 O\n0.384179 0.397726 0.704583 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"K",
"Ce",
"P",
"O"
],
"chemical_system": "Ce-K-O-P",
"density": 3.1522424029480156,
"density_atomic": 0.06901574872617364,
"volume": 1043.2401492254567,
"volume_molar": 8.725748645998758,
"formula_full": "K4 Ce4 P16 O48",
"formula_reduced": "KCe(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -560.82704245,
"energy_per_atom": -7.789264478472223,
"energy_above_hull": null,
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"band_gap": 0.3409000000000004,
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"updated_at": "2021-11-28T01:35:46.496000Z",
"spacegroup": 14
},
{
"id": "mp-727951",
"created_at": "2022-09-04T14:42:21.069784Z",
"structure_string": "V4 Br20 N12\n1.0\n6.902717 0.000000 0.000000\n0.000000 10.401927 0.000000\n0.000000 0.000000 13.596021\nV Br N\n4 20 12\ndirect\n0.649080 0.250000 0.589604 V\n0.850920 0.250000 0.089604 V\n0.350920 0.750000 0.410396 V\n0.149080 0.750000 0.910396 V\n0.683938 0.483751 0.607933 Br\n0.816062 0.016249 0.107933 Br\n0.316062 0.983751 0.392067 Br\n0.183938 0.516249 0.892067 Br\n0.316062 0.516249 0.392067 Br\n0.183938 0.983751 0.892067 Br\n0.683938 0.016249 0.607933 Br\n0.816062 0.483751 0.107933 Br\n0.960697 0.250000 0.505475 Br\n0.539303 0.250000 0.005475 Br\n0.039303 0.750000 0.494525 Br\n0.460697 0.750000 0.994525 Br\n0.907118 0.250000 0.760297 Br\n0.592882 0.250000 0.260297 Br\n0.092882 0.750000 0.239703 Br\n0.407118 0.750000 0.739703 Br\n0.420669 0.250000 0.725708 Br\n0.079331 0.250000 0.225708 Br\n0.579331 0.750000 0.274292 Br\n0.920669 0.750000 0.774292 Br\n0.151053 0.500951 0.645727 N\n0.348947 0.999049 0.145727 N\n0.848947 0.000951 0.354273 N\n0.651053 0.499049 0.854273 N\n0.848947 0.499049 0.354273 N\n0.651053 0.000951 0.854273 N\n0.151053 0.999049 0.645727 N\n0.348947 0.500951 0.145727 N\n0.510999 0.250000 0.493593 N\n0.989001 0.250000 0.993593 N\n0.489001 0.750000 0.506407 N\n0.010999 0.750000 0.006407 N\n",
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"elements": [
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"Br",
"N"
],
"chemical_system": "Br-N-V",
"density": 3.3508377631786845,
"density_atomic": 0.03687710365764565,
"volume": 976.215494964345,
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"formula_full": "V4 Br20 N12",
"formula_reduced": "VBr5N3",
"formula_anonymous": "AB3C5",
"energy": -130.43785046,
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"spacegroup": 62
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{
"id": "mp-557349",
"created_at": "2022-09-04T14:42:21.076406Z",
"structure_string": "Mn6 Nb4 Zn2 O18\n1.0\n2.683183 -4.647409 0.000000\n2.683183 4.647409 0.000000\n0.000000 0.000000 14.534276\nMn Nb Zn O\n6 4 2 18\ndirect\n0.666667 0.333333 0.697589 Mn\n0.666667 0.333333 0.981307 Mn\n0.666667 0.333333 0.481307 Mn\n0.333333 0.666667 0.513474 Mn\n0.333333 0.666667 0.013474 Mn\n0.666667 0.333333 0.197589 Mn\n0.000000 0.000000 0.857907 Nb\n0.000000 0.000000 0.141135 Nb\n0.000000 0.000000 0.641135 Nb\n0.000000 0.000000 0.357907 Nb\n0.333333 0.666667 0.794346 Zn\n0.333333 0.666667 0.294346 Zn\n0.336431 0.309391 0.084916 O\n0.663722 0.689590 0.913900 O\n0.010108 0.286636 0.249697 O\n0.276528 0.989892 0.249697 O\n0.972960 0.663569 0.084916 O\n0.690609 0.663569 0.584916 O\n0.713364 0.989892 0.749697 O\n0.025868 0.336278 0.913900 O\n0.025868 0.689590 0.413900 O\n0.336431 0.027040 0.584916 O\n0.276528 0.286636 0.749697 O\n0.972960 0.309391 0.584916 O\n0.713364 0.723472 0.249697 O\n0.310410 0.974132 0.913900 O\n0.690609 0.027040 0.084916 O\n0.663722 0.974132 0.413900 O\n0.310410 0.336278 0.413900 O\n0.010108 0.723472 0.749697 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Nb",
"Zn",
"O"
],
"chemical_system": "Mn-Nb-O-Zn",
"density": 5.1310492367612435,
"density_atomic": 0.08276308443063923,
"volume": 362.48044893906683,
"volume_molar": 7.276360954196844,
"formula_full": "Mn6 Nb4 Zn2 O18",
"formula_reduced": "Mn3Nb2ZnO9",
"formula_anonymous": "AB2C3D9",
"energy": -261.56033337,
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"updated_at": "2021-11-28T01:35:42.910000Z",
"spacegroup": 158
},
{
"id": "mp-720198",
"created_at": "2022-09-04T14:42:21.082361Z",
"structure_string": "Ca8 Nd8 Mn16 O48\n1.0\n30.929310 0.000000 0.000000\n0.000000 5.443561 0.000000\n0.000000 0.019853 5.500604\nCa Nd Mn O\n8 8 16 48\ndirect\n0.000000 0.988527 0.039423 Ca\n0.749779 0.509594 0.541479 Ca\n0.250221 0.509594 0.541479 Ca\n0.500000 0.509720 0.541389 Ca\n0.124276 0.010377 0.959684 Ca\n0.374922 0.010092 0.958628 Ca\n0.625078 0.010092 0.958628 Ca\n0.875724 0.010377 0.959684 Ca\n0.249803 0.989938 0.040376 Nd\n0.500000 0.989860 0.040439 Nd\n0.750197 0.989938 0.040376 Nd\n0.000000 0.508067 0.541056 Nd\n0.375038 0.490346 0.459558 Nd\n0.624962 0.490346 0.459558 Nd\n0.125736 0.490879 0.459302 Nd\n0.874264 0.490879 0.459302 Nd\n0.062539 0.999972 0.499997 Mn\n0.937447 0.500241 0.000394 Mn\n0.062553 0.500241 0.000394 Mn\n0.187479 0.498948 0.998004 Mn\n0.437504 0.499422 0.998422 Mn\n0.562496 0.499422 0.998422 Mn\n0.687391 0.499965 0.998358 Mn\n0.312609 0.499965 0.998358 Mn\n0.812521 0.498948 0.998004 Mn\n0.937461 0.999972 0.499997 Mn\n0.187608 0.998957 0.502121 Mn\n0.437521 0.999729 0.501344 Mn\n0.687551 0.000038 0.501520 Mn\n0.312449 0.000038 0.501520 Mn\n0.562479 0.999729 0.501344 Mn\n0.812392 0.998957 0.502121 Mn\n0.125042 0.920696 0.520672 O\n0.625023 0.919758 0.518579 O\n0.374977 0.919758 0.518579 O\n0.874958 0.920696 0.520672 O\n0.050793 0.779599 0.780965 O\n0.301903 0.784767 0.785023 O\n0.198237 0.782857 0.784577 O\n0.949207 0.779599 0.780965 O\n0.551876 0.784419 0.784811 O\n0.801763 0.782857 0.784577 O\n0.698097 0.784767 0.785023 O\n0.448124 0.784419 0.784811 O\n0.947070 0.711659 0.287867 O\n0.198280 0.714570 0.284380 O\n0.448406 0.716116 0.284105 O\n0.698363 0.716589 0.283629 O\n0.052930 0.711659 0.287867 O\n0.301637 0.716589 0.283629 O\n0.551594 0.716116 0.284105 O\n0.801720 0.714570 0.284380 O\n0.625006 0.581369 0.019254 O\n0.125013 0.581625 0.017126 O\n0.374994 0.581369 0.019254 O\n0.874987 0.581625 0.017126 O\n0.000000 0.417356 0.984441 O\n0.749977 0.419600 0.981372 O\n0.250023 0.419600 0.981372 O\n0.500000 0.419309 0.981137 O\n0.072115 0.289647 0.711370 O\n0.323041 0.284901 0.714934 O\n0.573099 0.284371 0.715041 O\n0.822948 0.283041 0.715948 O\n0.177052 0.283041 0.715948 O\n0.676959 0.284901 0.714934 O\n0.426901 0.284371 0.715041 O\n0.927885 0.289647 0.711370 O\n0.176635 0.214545 0.214888 O\n0.426552 0.215949 0.215978 O\n0.676599 0.216609 0.216073 O\n0.925662 0.222189 0.220602 O\n0.074338 0.222189 0.220602 O\n0.573448 0.215949 0.215978 O\n0.823365 0.214545 0.214888 O\n0.323401 0.216609 0.216073 O\n0.000000 0.077355 0.477480 O\n0.250028 0.080966 0.480598 O\n0.749972 0.080966 0.480598 O\n0.500000 0.081135 0.480673 O\n",
"nsites": 80,
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"elements": [
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"Nd",
"Mn",
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],
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"density": 5.5969868308329085,
"density_atomic": 0.08638260192755146,
"volume": 926.1124140147515,
"volume_molar": 6.9714741459752885,
"formula_full": "Ca8 Nd8 Mn16 O48",
"formula_reduced": "CaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy": -658.38542659,
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"spacegroup": 6
},
{
"id": "mp-18766",
"created_at": "2022-09-04T14:42:21.084470Z",
"structure_string": "Si2 Ni4 O8\n1.0\n0.000000 4.057429 4.057429\n4.057429 0.000000 4.057429\n4.057429 4.057429 0.000000\nSi Ni O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n0.368878 0.893365 0.368878 O\n0.881122 0.881122 0.356635 O\n0.881122 0.881122 0.881122 O\n0.356635 0.881122 0.881122 O\n0.368878 0.368878 0.368878 O\n0.893365 0.368878 0.368878 O\n0.881122 0.356635 0.881122 O\n0.368878 0.368878 0.893365 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.20736399570448,
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"volume": 133.5927169730099,
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"formula_full": "Si2 Ni4 O8",
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"energy": -102.77712334,
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"updated_at": "2021-11-28T01:35:51.081000Z",
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{
"id": "mp-675743",
"created_at": "2022-09-04T14:42:21.090548Z",
"structure_string": "Mg2 Mo12 Se16\n1.0\n6.831979 0.000000 0.000000\n-0.403844 6.845269 0.000000\n-0.757448 -0.819529 13.650504\nMg Mo Se\n2 12 16\ndirect\n0.046849 0.888265 0.527199 Mg\n0.888362 0.054734 0.022864 Mg\n0.582483 0.763624 0.225733 Mo\n0.583856 0.766420 0.727271 Mo\n0.452188 0.582408 0.383294 Mo\n0.234879 0.546083 0.208152 Mo\n0.452161 0.584771 0.881071 Mo\n0.234608 0.545492 0.708532 Mo\n0.762685 0.455025 0.291754 Mo\n0.546351 0.417505 0.116798 Mo\n0.764833 0.450786 0.792456 Mo\n0.545953 0.412807 0.618080 Mo\n0.411706 0.235284 0.273830 Mo\n0.413688 0.231171 0.772857 Mo\n0.266121 0.870447 0.313681 Se\n0.267847 0.869359 0.811537 Se\n0.375772 0.729787 0.063503 Se\n0.778726 0.787615 0.390278 Se\n0.383133 0.733709 0.563591 Se\n0.789007 0.781539 0.888619 Se\n0.870841 0.625713 0.132056 Se\n0.870251 0.624149 0.634151 Se\n0.127078 0.376866 0.366461 Se\n0.128583 0.370918 0.865299 Se\n0.220104 0.214456 0.106865 Se\n0.622436 0.269488 0.435222 Se\n0.212448 0.217904 0.608497 Se\n0.621747 0.265787 0.934797 Se\n0.732090 0.126993 0.190548 Se\n0.731212 0.128595 0.687154 Se\n",
"nsites": 30,
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"volume": 638.389490316806,
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"formula_full": "Mg2 Mo12 Se16",
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"spacegroup": 1
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{
"id": "mp-1520792",
"created_at": "2022-09-04T14:42:21.094062Z",
"structure_string": "K1 La1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.056243 -4.056243\n4.056243 0.000000 -4.056243\n4.056243 -4.056243 0.000000\nK La Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Ti\n0.757980 0.242020 0.242020 O\n0.242020 0.757980 0.757980 O\n0.757980 0.242020 0.757980 O\n0.242020 0.757980 0.242020 O\n0.757980 0.757980 0.242020 O\n0.242020 0.242020 0.757980 O\n",
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"La",
"Zr",
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"O"
],
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"density": 5.139171604310439,
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"volume": 133.4756024253332,
"volume_molar": 8.038088658311539,
"formula_full": "K1 La1 Zr1 Ti1 O6",
"formula_reduced": "KLaZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -86.38464331,
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"spacegroup": 216
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{
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{
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"structure_string": "Li1 Al1 Si1\n1.0\n0.000000 2.969227 2.969227\n2.969227 0.000000 2.969227\n2.969227 2.969227 0.000000\nLi Al Si\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Si\n",
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{
"id": "mp-30269",
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"structure_string": "Hf10 Ga20 Ni10\n1.0\n-6.154138 6.154138 4.053139\n6.154138 -6.154138 4.053139\n6.154138 6.154138 -4.053139\nHf Ga Ni\n10 20 10\ndirect\n0.490732 0.490732 0.000000 Hf\n0.934153 0.934153 0.000000 Hf\n0.161127 0.567146 0.000000 Hf\n0.567146 0.567146 0.406019 Hf\n0.161127 0.161127 0.593981 Hf\n0.567146 0.161127 0.000000 Hf\n0.158393 0.871926 0.286467 Hf\n0.871926 0.585460 0.713533 Hf\n0.871926 0.158393 0.286467 Hf\n0.585460 0.871926 0.713533 Hf\n0.204413 0.045228 0.840816 Ga\n0.363597 0.204413 0.159184 Ga\n0.969135 0.351618 0.617516 Ga\n0.351618 0.734102 0.382484 Ga\n0.580718 0.844953 0.000000 Ga\n0.351618 0.969135 0.617516 Ga\n0.734102 0.351618 0.382484 Ga\n0.844953 0.580718 0.000000 Ga\n0.580718 0.580718 0.735766 Ga\n0.844953 0.844953 0.264234 Ga\n0.264314 0.473795 0.506523 Ga\n0.473795 0.967272 0.209481 Ga\n0.757791 0.264314 0.790519 Ga\n0.967272 0.757791 0.493477 Ga\n0.757791 0.967272 0.493477 Ga\n0.473795 0.264314 0.506523 Ga\n0.264314 0.757791 0.790519 Ga\n0.967272 0.473795 0.209481 Ga\n0.045228 0.204413 0.840816 Ga\n0.204413 0.363597 0.159184 Ga\n0.188629 0.863653 0.000000 Ni\n0.098697 0.598697 0.500000 Ni\n0.598697 0.098697 0.500000 Ni\n0.863653 0.188629 0.000000 Ni\n0.188629 0.188629 0.324976 Ni\n0.863653 0.863653 0.675024 Ni\n0.731121 0.515091 0.216030 Ni\n0.515091 0.299060 0.783970 Ni\n0.515091 0.731121 0.216030 Ni\n0.299060 0.515091 0.783970 Ni\n",
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{
"id": "mp-560083",
"created_at": "2022-09-04T14:42:21.129818Z",
"structure_string": "Ca8 Mn24 O48\n1.0\n11.422695 0.000000 0.000000\n0.000000 8.720042 0.000000\n0.000000 5.870172 9.166328\nCa Mn O\n8 24 48\ndirect\n0.166516 0.554137 0.251298 Ca\n0.666516 0.445863 0.248702 Ca\n0.833484 0.445863 0.748702 Ca\n0.333484 0.554137 0.751298 Ca\n0.165603 0.942109 0.257267 Ca\n0.665603 0.057891 0.242733 Ca\n0.834397 0.057891 0.742733 Ca\n0.334397 0.942109 0.757267 Ca\n0.381786 0.455985 0.443860 Mn\n0.881786 0.544015 0.056140 Mn\n0.618214 0.544015 0.556140 Mn\n0.118214 0.455985 0.943860 Mn\n0.881981 0.869814 0.072500 Mn\n0.381981 0.130186 0.427500 Mn\n0.118019 0.130186 0.927500 Mn\n0.618019 0.869814 0.572500 Mn\n0.904971 0.470577 0.418398 Mn\n0.404971 0.529423 0.081602 Mn\n0.095029 0.529423 0.581602 Mn\n0.595029 0.470577 0.918398 Mn\n0.403056 0.859806 0.090675 Mn\n0.903056 0.140194 0.409325 Mn\n0.596944 0.140194 0.909325 Mn\n0.096944 0.859806 0.590675 Mn\n0.395896 0.795590 0.431072 Mn\n0.895896 0.204410 0.068928 Mn\n0.604104 0.204410 0.568928 Mn\n0.104104 0.795590 0.931072 Mn\n0.903851 0.805933 0.416994 Mn\n0.403851 0.194067 0.083006 Mn\n0.096149 0.194067 0.583006 Mn\n0.596149 0.805933 0.916994 Mn\n0.850888 0.605239 0.210106 O\n0.350888 0.394761 0.289894 O\n0.149112 0.394761 0.789894 O\n0.649112 0.605239 0.710106 O\n0.334998 0.710957 0.306853 O\n0.834998 0.289043 0.193147 O\n0.665002 0.289043 0.693147 O\n0.165002 0.710957 0.806853 O\n0.521854 0.670609 0.112564 O\n0.021854 0.329391 0.387436 O\n0.478146 0.329391 0.887436 O\n0.978146 0.670609 0.612564 O\n0.023382 0.662406 0.382133 O\n0.523382 0.337594 0.117867 O\n0.976618 0.337594 0.617867 O\n0.476618 0.662406 0.882133 O\n0.301243 0.728077 0.032385 O\n0.801243 0.271923 0.467615 O\n0.698757 0.271923 0.967615 O\n0.198757 0.728077 0.532385 O\n0.804338 0.597156 0.477348 O\n0.304338 0.402844 0.022652 O\n0.195662 0.402844 0.522652 O\n0.695662 0.597156 0.977348 O\n0.578187 0.459459 0.428641 O\n0.078187 0.540541 0.071359 O\n0.421813 0.540541 0.571359 O\n0.921813 0.459459 0.928641 O\n0.088934 0.868515 0.076117 O\n0.588934 0.131485 0.423883 O\n0.911066 0.131485 0.923883 O\n0.411066 0.868515 0.576117 O\n0.849384 0.947547 0.208314 O\n0.349384 0.052453 0.291686 O\n0.150616 0.052453 0.791686 O\n0.650616 0.947547 0.708314 O\n0.511520 0.002583 0.126503 O\n0.011520 0.997417 0.373497 O\n0.488480 0.997417 0.873497 O\n0.988480 0.002583 0.626503 O\n0.296230 0.064581 0.039150 O\n0.796230 0.935419 0.460850 O\n0.703770 0.935419 0.960850 O\n0.203770 0.064581 0.539150 O\n0.583313 0.802629 0.433220 O\n0.083313 0.197371 0.066780 O\n0.416687 0.197371 0.566780 O\n0.916687 0.802629 0.933220 O\n",
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],
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"density": 4.3778630649922246,
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"formula_full": "Ca8 Mn24 O48",
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{
"id": "mp-1175856",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.017645 0.000000 0.000000\n0.515165 9.894769 0.000000\n0.504877 2.064912 9.753974\nLi Mn Co O\n9 2 5 16\ndirect\n0.004614 0.256758 0.124214 Li\n0.493778 0.743520 0.130129 Li\n0.496924 0.254559 0.372720 Li\n0.992910 0.749843 0.373404 Li\n0.007090 0.250157 0.626596 Li\n0.503076 0.745441 0.627280 Li\n0.506222 0.256480 0.869871 Li\n0.995386 0.743242 0.875786 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500318 0.001274 0.249796 Co\n0.001100 0.498584 0.241557 Co\n0.500000 0.500000 0.500000 Co\n0.499682 0.998726 0.750204 Co\n0.998900 0.501416 0.758443 Co\n0.529322 0.117041 0.067975 O\n0.005447 0.616046 0.084147 O\n0.030672 0.113863 0.315082 O\n0.530349 0.614355 0.320990 O\n0.530348 0.115965 0.568845 O\n0.991169 0.610440 0.573721 O\n0.032032 0.112530 0.814834 O\n0.515286 0.614446 0.808013 O\n0.484714 0.385554 0.191987 O\n0.967968 0.887470 0.185166 O\n0.008831 0.389560 0.426279 O\n0.469652 0.884035 0.431155 O\n0.469651 0.385645 0.679010 O\n0.969328 0.886137 0.684918 O\n0.994553 0.383954 0.915853 O\n0.470678 0.882959 0.932025 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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]
}