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{
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{
"id": "mp-777738",
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"structure_string": "Al4 H12 O12\n1.0\n8.676647 0.000000 0.000000\n0.000000 4.789469 0.000000\n0.000000 0.559866 5.113030\nAl H O\n4 12 12\ndirect\n0.667133 0.001828 0.963323 Al\n0.167133 0.998172 0.536677 Al\n0.832867 0.001828 0.463323 Al\n0.332867 0.998172 0.036677 Al\n0.199685 0.411815 0.801216 H\n0.965047 0.774624 0.843154 H\n0.400113 0.688953 0.712080 H\n0.900113 0.311047 0.787920 H\n0.465047 0.225376 0.656846 H\n0.699685 0.588185 0.698784 H\n0.300315 0.411815 0.301216 H\n0.534953 0.774624 0.343154 H\n0.099887 0.688953 0.212080 H\n0.599887 0.311047 0.287920 H\n0.034953 0.225376 0.156846 H\n0.800315 0.588185 0.198784 H\n0.490135 0.211613 0.842631 O\n0.171828 0.211074 0.838152 O\n0.801457 0.232943 0.739522 O\n0.301457 0.767057 0.760478 O\n0.671828 0.788926 0.661848 O\n0.990135 0.788387 0.657369 O\n0.009865 0.211613 0.342631 O\n0.328172 0.211074 0.338152 O\n0.698543 0.232943 0.239522 O\n0.198543 0.767057 0.260478 O\n0.828172 0.788926 0.161848 O\n0.509865 0.788387 0.157369 O\n",
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{
"id": "mp-1215245",
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"structure_string": "Zr1 Ti1 Ni2 H6\n1.0\n1.720827 -5.155027 0.000000\n1.720827 5.155027 0.000000\n0.000000 0.000000 4.275584\nZr Ti Ni H\n1 1 2 6\ndirect\n0.141933 0.858067 0.000000 Zr\n0.858681 0.141319 0.500000 Ti\n0.565753 0.434247 0.500000 Ni\n0.427118 0.572882 0.000000 Ni\n0.693482 0.306518 0.742845 H\n0.316216 0.683784 0.726217 H\n0.693482 0.306518 0.257155 H\n0.316216 0.683784 0.273783 H\n0.060128 0.939872 0.500000 H\n0.926990 0.073010 0.000000 H\n",
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"formula_full": "Zr1 Ti1 Ni2 H6",
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"updated_at": "2021-11-28T01:35:51.621000Z",
"spacegroup": 38
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{
"id": "mp-560196",
"created_at": "2022-09-04T14:45:27.948594Z",
"structure_string": "Al4 H12 O12\n1.0\n8.766996 0.000000 0.000000\n0.000000 4.839165 0.000000\n0.000000 1.006536 5.005143\nAl H O\n4 12 12\ndirect\n0.335067 0.980188 0.046395 Al\n0.835067 0.019812 0.453605 Al\n0.664933 0.019812 0.953605 Al\n0.164933 0.980188 0.546395 Al\n0.384159 0.637579 0.750099 H\n0.044040 0.206535 0.136853 H\n0.884159 0.362421 0.749901 H\n0.455960 0.206535 0.636853 H\n0.955960 0.793465 0.863147 H\n0.188654 0.390685 0.791025 H\n0.311346 0.390685 0.291025 H\n0.688654 0.609315 0.708975 H\n0.615841 0.362421 0.249901 H\n0.811346 0.609315 0.208975 H\n0.115841 0.637579 0.250099 H\n0.544040 0.793465 0.363147 H\n0.829215 0.813781 0.165802 O\n0.517001 0.784297 0.177554 O\n0.798663 0.250117 0.706949 O\n0.982999 0.784297 0.677554 O\n0.329215 0.186219 0.334198 O\n0.701337 0.250117 0.206949 O\n0.670785 0.813781 0.665802 O\n0.017001 0.215703 0.322446 O\n0.170785 0.186219 0.834198 O\n0.201337 0.749883 0.293051 O\n0.298663 0.749883 0.793051 O\n0.482999 0.215703 0.822446 O\n",
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"elements": [
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},
{
"id": "mp-626094",
"created_at": "2022-09-04T14:43:15.098643Z",
"structure_string": "Al8 H24 O24\n1.0\n5.005499 0.000000 0.000000\n0.363878 8.845416 0.000000\n0.061938 0.346975 9.590827\nAl H O\n8 24 24\ndirect\n0.997205 0.324423 0.502437 Al\n0.501561 0.838605 0.005530 Al\n0.981202 0.668405 0.505670 Al\n0.516165 0.175093 0.010603 Al\n0.509297 0.162855 0.498759 Al\n0.021519 0.665680 0.001926 Al\n0.478314 0.833960 0.502369 Al\n0.984698 0.332581 0.006917 Al\n0.692146 0.315133 0.285890 H\n0.891047 0.923544 0.885907 H\n0.291023 0.686556 0.704339 H\n0.200535 0.194365 0.207242 H\n0.010046 0.901504 0.389288 H\n0.429783 0.406027 0.887081 H\n0.928749 0.073749 0.616587 H\n0.640743 0.572827 0.119218 H\n0.618321 0.001153 0.291537 H\n0.901999 0.504881 0.794905 H\n0.373502 0.999090 0.705966 H\n0.348073 0.446671 0.111614 H\n0.358009 0.504918 0.395712 H\n0.137083 0.501221 0.273313 H\n0.186112 0.041969 0.898739 H\n0.664702 0.489535 0.600261 H\n0.846487 0.988541 0.113509 H\n0.090058 0.100115 0.381096 H\n0.474958 0.608957 0.882664 H\n0.790766 0.803314 0.714011 H\n0.685704 0.695120 0.293542 H\n0.814755 0.191471 0.795990 H\n0.315144 0.310129 0.703506 H\n0.186898 0.810200 0.211359 H\n0.689522 0.316373 0.392359 O\n0.821832 0.821814 0.892253 O\n0.300058 0.674934 0.602362 O\n0.185800 0.179249 0.106216 O\n0.156251 0.823288 0.388863 O\n0.314989 0.319600 0.886011 O\n0.822676 0.169916 0.610970 O\n0.705566 0.676062 0.112156 O\n0.642678 0.996162 0.394488 O\n0.864375 0.511091 0.896011 O\n0.349365 0.000504 0.603337 O\n0.159181 0.489682 0.115544 O\n0.161596 0.504489 0.382198 O\n0.375185 0.010650 0.895429 O\n0.860848 0.488910 0.602906 O\n0.650905 0.993569 0.113728 O\n0.194364 0.191024 0.385492 O\n0.335311 0.690209 0.890904 O\n0.789730 0.805332 0.610734 O\n0.669419 0.328128 0.106796 O\n0.668488 0.683723 0.396366 O\n0.837576 0.178314 0.898097 O\n0.321275 0.314781 0.599511 O\n0.187231 0.812294 0.107089 O\n",
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"density": 2.440235842288034,
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"formula_full": "Al8 H24 O24",
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{
"id": "mp-568556",
"created_at": "2022-09-04T14:40:57.376834Z",
"structure_string": "Mg4 B48 C2\n1.0\n8.965906 0.000000 0.000000\n0.000000 8.965906 0.000000\n0.000000 0.000000 5.089139\nMg B C\n4 48 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.250000 Mg\n0.598431 0.805870 0.082916 B\n0.759039 0.077690 0.915348 B\n0.615784 0.371656 0.875736 B\n0.751519 0.735219 0.915079 B\n0.251519 0.764781 0.415079 B\n0.401569 0.194130 0.082916 B\n0.264781 0.751519 0.084921 B\n0.730855 0.407168 0.587507 B\n0.922310 0.759039 0.084652 B\n0.325280 0.920464 0.598591 B\n0.240961 0.922310 0.915348 B\n0.907168 0.230855 0.912493 B\n0.735219 0.248481 0.084921 B\n0.384216 0.628344 0.875736 B\n0.077690 0.240961 0.084652 B\n0.422310 0.740961 0.584652 B\n0.901569 0.305870 0.582916 B\n0.235219 0.251519 0.584921 B\n0.115784 0.128344 0.375736 B\n0.805870 0.401569 0.917084 B\n0.628344 0.615784 0.124264 B\n0.769145 0.907168 0.087507 B\n0.748481 0.235219 0.415079 B\n0.740961 0.577690 0.415348 B\n0.092832 0.769145 0.912493 B\n0.259039 0.422310 0.415348 B\n0.407168 0.269145 0.412493 B\n0.248481 0.264781 0.915079 B\n0.884216 0.871656 0.375736 B\n0.579536 0.174720 0.901409 B\n0.420464 0.825280 0.901409 B\n0.694130 0.901569 0.417084 B\n0.577690 0.259039 0.584652 B\n0.871656 0.115784 0.624264 B\n0.305870 0.098431 0.417084 B\n0.592832 0.730855 0.412493 B\n0.079536 0.325280 0.401409 B\n0.371656 0.384216 0.124264 B\n0.920464 0.674720 0.401409 B\n0.269145 0.592832 0.587507 B\n0.098431 0.694130 0.582916 B\n0.194130 0.598431 0.917084 B\n0.764781 0.748481 0.584921 B\n0.230855 0.092832 0.087507 B\n0.174720 0.420464 0.098591 B\n0.128344 0.884216 0.624264 B\n0.825280 0.579536 0.098591 B\n0.674720 0.079536 0.598591 B\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n",
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{
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"structure_string": "H8 C4\n1.0\n2.563076 0.000000 0.000000\n0.000000 4.937789 0.000000\n0.000000 0.000000 7.178829\nH C\n8 4\ndirect\n0.250000 0.537104 0.693023 H\n0.750000 0.462896 0.306977 H\n0.750000 0.037104 0.806977 H\n0.250000 0.962896 0.193023 H\n0.250000 0.782142 0.514583 H\n0.750000 0.217858 0.485417 H\n0.750000 0.282142 0.985417 H\n0.250000 0.717858 0.014583 H\n0.250000 0.561569 0.540242 C\n0.750000 0.438431 0.459758 C\n0.750000 0.061569 0.959758 C\n0.250000 0.938431 0.040242 C\n",
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{
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{
"id": "mp-625111",
"created_at": "2022-09-04T14:43:13.414542Z",
"structure_string": "H16 Pt2 O12\n1.0\n3.701276 4.206737 0.000000\n-3.701276 4.206737 0.000000\n0.000000 0.572915 7.289855\nH Pt O\n16 2 12\ndirect\n0.871277 0.626050 0.847604 H\n0.146581 0.475518 0.839347 H\n0.379914 0.132273 0.647540 H\n0.256951 0.890545 0.746667 H\n0.132273 0.379914 0.147540 H\n0.890545 0.256951 0.246667 H\n0.475518 0.146581 0.339347 H\n0.626050 0.871277 0.347604 H\n0.755078 0.606788 0.092322 H\n0.462170 0.437650 0.509236 H\n0.437650 0.462170 0.009236 H\n0.606788 0.755078 0.592322 H\n0.946139 0.029355 0.983274 H\n0.851281 0.166429 0.712576 H\n0.166429 0.851281 0.212576 H\n0.029355 0.946139 0.483274 H\n0.004138 0.497898 0.504322 Pt\n0.497898 0.004138 0.004322 Pt\n0.035222 0.596103 0.764651 O\n0.406461 0.968930 0.740701 O\n0.968930 0.406461 0.240701 O\n0.596103 0.035222 0.264651 O\n0.666158 0.662544 0.981992 O\n0.344862 0.315621 0.511091 O\n0.315621 0.344862 0.011091 O\n0.662544 0.666158 0.481992 O\n0.809762 0.138908 0.926361 O\n0.872475 0.183656 0.573250 O\n0.183656 0.872475 0.073250 O\n0.138908 0.809762 0.426361 O\n",
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{
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