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{
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{
"id": "mp-1095464",
"created_at": "2022-09-04T14:43:43.849822Z",
"structure_string": "Y4 Al4 Pd4\n1.0\n4.486803 0.000000 0.000000\n0.000000 6.898590 0.000000\n0.000000 0.000000 7.796973\nY Al Pd\n4 4 4\ndirect\n0.250000 0.033089 0.320298 Y\n0.250000 0.533089 0.179702 Y\n0.750000 0.966911 0.679702 Y\n0.750000 0.466911 0.820298 Y\n0.250000 0.145601 0.939494 Al\n0.250000 0.645601 0.560506 Al\n0.750000 0.854399 0.060506 Al\n0.750000 0.354399 0.439494 Al\n0.250000 0.273786 0.619910 Pd\n0.250000 0.773786 0.880090 Pd\n0.750000 0.726214 0.380090 Pd\n0.750000 0.226214 0.119910 Pd\n",
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"formula_full": "Y4 Al4 Pd4",
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{
"id": "mp-1110627",
"created_at": "2022-09-04T14:43:42.951996Z",
"structure_string": "Rb1 Na2 Al1 F6\n1.0\n0.000000 4.411911 4.411911\n4.411911 0.000000 4.411911\n4.411911 4.411911 0.000000\nRb Na Al F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.792924 0.207076 0.207076 F\n0.207076 0.207076 0.792924 F\n0.207076 0.792924 0.792924 F\n0.207076 0.792924 0.207076 F\n0.792924 0.207076 0.792924 F\n0.792924 0.792924 0.207076 F\n",
"nsites": 10,
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"elements": [
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"Na",
"Al",
"F"
],
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"density": 2.6337632877582493,
"density_atomic": 0.05822235599611014,
"volume": 171.7553305583873,
"volume_molar": 10.343347769029378,
"formula_full": "Rb1 Na2 Al1 F6",
"formula_reduced": "RbNa2AlF6",
"formula_anonymous": "ABC2D6",
"energy": -50.78674857,
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"updated_at": "2021-11-28T01:36:13.329000Z",
"spacegroup": 225
},
{
"id": "mp-976891",
"created_at": "2022-09-04T14:43:42.959526Z",
"structure_string": "Mg1 Pb5\n1.0\n1.765748 -8.974343 0.000000\n1.765748 8.974343 0.000000\n0.000000 0.000000 5.770747\nMg Pb\n1 5\ndirect\n0.777691 0.222309 0.000000 Mg\n0.000496 0.999504 0.500000 Pb\n0.330650 0.669350 0.500000 Pb\n0.668214 0.331786 0.500000 Pb\n0.438101 0.561899 0.000000 Pb\n0.118172 0.881828 0.000000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 9.626900639332916,
"density_atomic": 0.03280634388367398,
"volume": 182.89145603286468,
"volume_molar": 18.356634867187708,
"formula_full": "Mg1 Pb5",
"formula_reduced": "MgPb5",
"formula_anonymous": "AB5",
"energy": -19.88888225,
"energy_per_atom": -3.3148137083333338,
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"energy_uncorrected": -19.88888225,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.734000Z",
"spacegroup": 38
},
{
"id": "mp-1186700",
"created_at": "2022-09-04T14:43:42.970006Z",
"structure_string": "Pr6 Br2\n1.0\n3.608214 -6.249610 0.000000\n3.608214 6.249610 0.000000\n0.000000 0.000000 5.597815\nPr Br\n6 2\ndirect\n0.169485 0.338971 0.250000 Pr\n0.661029 0.830515 0.250000 Pr\n0.169485 0.830515 0.250000 Pr\n0.830515 0.661029 0.750000 Pr\n0.338971 0.169485 0.750000 Pr\n0.830515 0.169485 0.750000 Pr\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Br"
],
"chemical_system": "Br-Pr",
"density": 6.611973787037942,
"density_atomic": 0.03168810336233112,
"volume": 252.46067612585207,
"volume_molar": 19.00442159993316,
"formula_full": "Pr6 Br2",
"formula_reduced": "Pr3Br",
"formula_anonymous": "AB3",
"energy": -34.16404238,
"energy_per_atom": -4.2705052975,
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"energy_uncorrected": -33.09604238,
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"updated_at": "2021-11-28T01:36:14.130000Z",
"spacegroup": 194
},
{
"id": "mp-1296460",
"created_at": "2022-09-04T14:43:43.073220Z",
"structure_string": "Li8 Si4 Ni4 O16\n1.0\n-0.149013 5.225838 -0.049110\n0.249465 -0.014307 12.534017\n5.366232 -0.093967 0.053934\nLi Si Ni O\n8 4 4 16\ndirect\n0.189896 0.374186 0.173459 Li\n0.188523 0.873981 0.171385 Li\n0.810083 0.125995 0.824832 Li\n0.810913 0.626180 0.824386 Li\n0.687410 0.246410 0.318434 Li\n0.692360 0.745337 0.311664 Li\n0.313076 0.005082 0.687355 Li\n0.311718 0.504284 0.685936 Li\n0.175627 0.124254 0.177482 Si\n0.181408 0.623663 0.170756 Si\n0.818843 0.376542 0.828561 Si\n0.824053 0.875848 0.822220 Si\n0.685738 0.494580 0.329124 Ni\n0.316517 0.754357 0.666418 Ni\n0.680435 0.993250 0.323060 Ni\n0.310691 0.254206 0.672835 Ni\n0.782891 0.374209 0.132331 O\n0.789092 0.873058 0.126693 O\n0.210329 0.127904 0.871854 O\n0.216816 0.628092 0.865383 O\n0.861803 0.122632 0.210106 O\n0.867487 0.621455 0.201259 O\n0.133173 0.376688 0.801741 O\n0.138557 0.876362 0.797101 O\n0.302819 0.014874 0.307082 O\n0.307118 0.514422 0.303332 O\n0.692528 0.269343 0.696861 O\n0.698647 0.768972 0.688428 O\n0.305951 0.230764 0.306953 O\n0.309732 0.730528 0.300780 O\n0.694334 0.486717 0.701089 O\n0.697027 0.985832 0.695510 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.1137554763242954,
"density_atomic": 0.09110479581497882,
"volume": 351.2438583912482,
"volume_molar": 6.610124863492511,
"formula_full": "Li8 Si4 Ni4 O16",
"formula_reduced": "Li2SiNiO4",
"formula_anonymous": "ABC2D4",
"energy": -217.14999875,
"energy_per_atom": -6.7859374609375,
"energy_above_hull": null,
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"energy_uncorrected": -195.99399875,
"band_gap": 3.767300000000001,
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"is_magnetic": true,
"total_magnetization": 5.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.549000Z",
"spacegroup": 1
},
{
"id": "mp-1099249",
"created_at": "2022-09-04T14:43:43.120673Z",
"structure_string": "Mg3 Cu1 O4\n1.0\n4.248913 0.000000 0.000000\n0.000000 4.248913 0.000000\n0.000000 0.000000 4.248913\nMg Cu O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
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"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.339505812980477,
"density_atomic": 0.10429331480370595,
"volume": 76.70673825122039,
"volume_molar": 5.774234687366568,
"formula_full": "Mg3 Cu1 O4",
"formula_reduced": "Mg3CuO4",
"formula_anonymous": "AB3C4",
"energy": -48.74125777,
"energy_per_atom": -6.09265722125,
"energy_above_hull": null,
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"energy_uncorrected": -45.99325777,
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"updated_at": "2021-11-28T01:36:18.651000Z",
"spacegroup": 221
},
{
"id": "mp-1196392",
"created_at": "2022-09-04T14:43:43.197671Z",
"structure_string": "Li8 B8 H40 N8\n1.0\n5.194237 0.000000 0.000000\n0.000000 7.139212 0.000000\n0.000000 0.000000 14.033371\nLi B H N\n8 8 40 8\ndirect\n0.064198 0.451300 0.177283 Li\n0.935802 0.951300 0.322717 Li\n0.435802 0.548700 0.677283 Li\n0.564198 0.048700 0.822717 Li\n0.935802 0.548700 0.822717 Li\n0.064198 0.048700 0.677283 Li\n0.564198 0.451300 0.322717 Li\n0.435802 0.951300 0.177283 Li\n0.533156 0.594883 0.153871 B\n0.466844 0.094883 0.346129 B\n0.966844 0.405117 0.653871 B\n0.033156 0.905117 0.846129 B\n0.466844 0.405117 0.846129 B\n0.533156 0.905117 0.653871 B\n0.033156 0.594883 0.346129 B\n0.966844 0.094883 0.153871 B\n0.354684 0.677494 0.111989 H\n0.645316 0.177494 0.388011 H\n0.145316 0.322506 0.611989 H\n0.854684 0.822506 0.888011 H\n0.645316 0.322506 0.888011 H\n0.354684 0.822506 0.611989 H\n0.854684 0.677494 0.388011 H\n0.145316 0.177494 0.111989 H\n0.584594 0.685599 0.226289 H\n0.415406 0.185599 0.273711 H\n0.915406 0.314401 0.726289 H\n0.084594 0.814401 0.773711 H\n0.415406 0.314401 0.773711 H\n0.584594 0.814401 0.726289 H\n0.084594 0.685599 0.273711 H\n0.915406 0.185599 0.226289 H\n0.446960 0.441102 0.180293 H\n0.553040 0.941102 0.319707 H\n0.053040 0.558898 0.680293 H\n0.946960 0.058898 0.819707 H\n0.553040 0.558898 0.819707 H\n0.446960 0.058898 0.680293 H\n0.946960 0.441102 0.319707 H\n0.053040 0.941102 0.180293 H\n0.858927 0.688368 0.074447 H\n0.141073 0.188368 0.425553 H\n0.641073 0.311632 0.574447 H\n0.358927 0.811632 0.925553 H\n0.141073 0.311632 0.925553 H\n0.858927 0.811632 0.574447 H\n0.358927 0.688368 0.425553 H\n0.641073 0.188368 0.074447 H\n0.747561 0.493593 0.032301 H\n0.252439 0.993593 0.467699 H\n0.752439 0.506407 0.532301 H\n0.247561 0.006407 0.967699 H\n0.252439 0.506407 0.967699 H\n0.747561 0.006407 0.532301 H\n0.247561 0.493593 0.467699 H\n0.752439 0.993593 0.032301 H\n0.781963 0.563223 0.094790 N\n0.218037 0.063223 0.405210 N\n0.718037 0.436777 0.594790 N\n0.281963 0.936777 0.905210 N\n0.218037 0.436777 0.905210 N\n0.781963 0.936777 0.594790 N\n0.281963 0.563223 0.405210 N\n0.718037 0.063223 0.094790 N\n",
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"density": 0.9393641321534132,
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"volume": 520.396116452051,
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"formula_full": "Li8 B8 H40 N8",
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},
{
"id": "mp-1247682",
"created_at": "2022-09-04T14:43:43.506792Z",
"structure_string": "Sr4 Ca28 Mn32 O80\n1.0\n11.056363 -0.028542 -0.142190\n-0.036432 15.359036 -0.006431\n-0.139422 0.000189 11.181829\nSr Ca Mn O\n4 28 32 80\ndirect\n0.006450 0.116394 0.504414 Sr\n0.514119 0.376366 0.988847 Sr\n0.240483 0.387048 0.264173 Sr\n0.229944 0.120788 0.249902 Sr\n0.002420 0.109452 0.007090 Ca\n0.003359 0.611481 0.507876 Ca\n0.000819 0.612137 0.009947 Ca\n0.541232 0.129287 0.479962 Ca\n0.545046 0.128642 0.979960 Ca\n0.543122 0.629723 0.481778 Ca\n0.544128 0.628605 0.982623 Ca\n0.516814 0.373484 0.490306 Ca\n0.516631 0.872526 0.988629 Ca\n0.518130 0.873819 0.489472 Ca\n0.961377 0.383980 0.005479 Ca\n0.957874 0.383523 0.503897 Ca\n0.958095 0.882065 0.005875 Ca\n0.959271 0.883394 0.504650 Ca\n0.232365 0.395129 0.766228 Ca\n0.231914 0.892231 0.273721 Ca\n0.231855 0.891104 0.770614 Ca\n0.760531 0.377725 0.258492 Ca\n0.756854 0.373548 0.756617 Ca\n0.755935 0.874037 0.258277 Ca\n0.752431 0.874663 0.754509 Ca\n0.228525 0.117310 0.751236 Ca\n0.227777 0.620256 0.244478 Ca\n0.224891 0.621084 0.746370 Ca\n0.776796 0.122547 0.250620 Ca\n0.783385 0.122385 0.753948 Ca\n0.781508 0.622782 0.253434 Ca\n0.780908 0.622304 0.754129 Ca\n0.991716 0.995200 0.253306 Mn\n0.994623 0.994096 0.756652 Mn\n0.996405 0.497696 0.255694 Mn\n0.993440 0.496549 0.754198 Mn\n0.505898 0.987926 0.230182 Mn\n0.506944 0.990109 0.736478 Mn\n0.508732 0.496748 0.236338 Mn\n0.502265 0.492665 0.732380 Mn\n0.242780 0.997744 0.017953 Mn\n0.248616 0.997261 0.526197 Mn\n0.241944 0.504103 0.017516 Mn\n0.243130 0.502467 0.520878 Mn\n0.744840 0.000966 0.996036 Mn\n0.743878 0.002503 0.497373 Mn\n0.748750 0.503350 0.998238 Mn\n0.743795 0.502833 0.499130 Mn\n0.268310 0.244990 0.955526 Mn\n0.271504 0.247080 0.476767 Mn\n0.270298 0.744031 0.960017 Mn\n0.272764 0.742999 0.460696 Mn\n0.759210 0.246907 0.002516 Mn\n0.753071 0.247884 0.503950 Mn\n0.757071 0.747268 0.002689 Mn\n0.756583 0.746838 0.503319 Mn\n0.989750 0.252991 0.262584 Mn\n0.996683 0.252930 0.762739 Mn\n0.995036 0.752466 0.262187 Mn\n0.993523 0.752588 0.760264 Mn\n0.516491 0.251599 0.251947 Mn\n0.513472 0.247332 0.748618 Mn\n0.513668 0.746534 0.250254 Mn\n0.513504 0.746107 0.750715 Mn\n0.591951 0.250613 0.097409 O\n0.589585 0.254831 0.594075 O\n0.588576 0.755342 0.093200 O\n0.587928 0.755094 0.593534 O\n0.400275 0.201076 0.358068 O\n0.402122 0.187086 0.852213 O\n0.399810 0.682300 0.350531 O\n0.399324 0.684107 0.852898 O\n0.893806 0.239521 0.411084 O\n0.908198 0.233210 0.918330 O\n0.905563 0.733582 0.418425 O\n0.906123 0.733947 0.917860 O\n0.143376 0.248789 0.342930 O\n0.165747 0.254547 0.800719 O\n0.162130 0.752634 0.310494 O\n0.159833 0.752814 0.809979 O\n0.656004 0.226362 0.357015 O\n0.659181 0.228961 0.854772 O\n0.659803 0.727171 0.356129 O\n0.659564 0.725455 0.856360 O\n0.856966 0.273568 0.149078 O\n0.859828 0.271268 0.648314 O\n0.856802 0.772999 0.149704 O\n0.855679 0.773129 0.649913 O\n0.357157 0.514252 0.155550 O\n0.345368 0.511325 0.666578 O\n0.349949 0.002490 0.160679 O\n0.347599 0.002224 0.675795 O\n0.858072 0.483943 0.145003 O\n0.847024 0.481413 0.640509 O\n0.845748 0.979994 0.136204 O\n0.856313 0.982522 0.645717 O\n0.154212 0.005958 0.380108 O\n0.146759 0.007292 0.870744 O\n0.150748 0.512100 0.369589 O\n0.150941 0.511935 0.870096 O\n0.623809 0.026616 0.342475 O\n0.633621 0.026457 0.845142 O\n0.633071 0.527714 0.349336 O\n0.625269 0.521435 0.848449 O\n0.880010 0.013897 0.387446 O\n0.886063 0.015555 0.893599 O\n0.886414 0.516226 0.393882 O\n0.886325 0.518135 0.891385 O\n0.098795 0.475899 0.122128 O\n0.095858 0.471539 0.621799 O\n0.098380 0.971730 0.123695 O\n0.099981 0.968884 0.626484 O\n0.604998 0.499314 0.093863 O\n0.591117 0.496593 0.585019 O\n0.592646 0.994994 0.082398 O\n0.592055 0.996258 0.585887 O\n0.990821 0.377479 0.294985 O\n0.990738 0.375324 0.799027 O\n0.991837 0.874381 0.297673 O\n0.989692 0.874992 0.799944 O\n0.481159 0.377237 0.280418 O\n0.470659 0.372273 0.770650 O\n0.477398 0.872654 0.285596 O\n0.485133 0.872370 0.784640 O\n0.995858 0.127435 0.219743 O\n0.003071 0.125574 0.728328 O\n0.999785 0.627114 0.221426 O\n0.998332 0.627759 0.717883 O\n0.220006 0.131147 0.030194 O\n0.239192 0.128612 0.545159 O\n0.215556 0.633839 0.038413 O\n0.218308 0.632311 0.539759 O\n0.752678 0.123736 0.038953 O\n0.751310 0.125843 0.541351 O\n0.754540 0.626942 0.041464 O\n0.750654 0.625346 0.543769 O\n0.300532 0.379266 0.493451 O\n0.285969 0.377117 0.988243 O\n0.301410 0.874956 0.489315 O\n0.298278 0.876076 0.981076 O\n0.738076 0.376831 0.466443 O\n0.748051 0.375114 0.966510 O\n0.741369 0.874792 0.467344 O\n0.740379 0.875270 0.962240 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
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"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 3.9452074727862834,
"density_atomic": 0.07584827469575092,
"volume": 1898.5270341036114,
"volume_molar": 7.93972016391477,
"formula_full": "Sr4 Ca28 Mn32 O80",
"formula_reduced": "SrCa7Mn8O20",
"formula_anonymous": "AB7C8D20",
"energy": -1115.02785611,
"energy_per_atom": -7.743249000763888,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1006.69185611,
"band_gap": 0.0909999999999997,
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"updated_at": "2021-11-28T01:36:16.980000Z",
"spacegroup": 1
},
{
"id": "mp-1223066",
"created_at": "2022-09-04T14:43:43.531232Z",
"structure_string": "La4 Mn3 Sb8\n1.0\n-3.133899 3.133899 10.694659\n3.133899 -3.133899 10.694659\n3.133899 3.133899 -10.694659\nLa Mn Sb\n4 3 8\ndirect\n0.620644 0.119415 0.000000 La\n0.119415 0.620644 0.000000 La\n0.880585 0.880585 0.501229 La\n0.379356 0.379356 0.498771 La\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.250062 0.250062 0.000000 Sb\n0.749938 0.749938 0.000000 Sb\n0.250000 0.750000 0.500000 Sb\n0.750000 0.250000 0.500000 Sb\n0.325856 0.822150 0.000000 Sb\n0.822150 0.325856 0.000000 Sb\n0.177850 0.177850 0.503706 Sb\n0.674144 0.674144 0.496294 Sb\n",
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"elements": [
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"Mn",
"Sb"
],
"chemical_system": "La-Mn-Sb",
"density": 6.697270659783821,
"density_atomic": 0.035702147053748044,
"volume": 420.1427991828656,
"volume_molar": 16.86772717319753,
"formula_full": "La4 Mn3 Sb8",
"formula_reduced": "La4Mn3Sb8",
"formula_anonymous": "A3B4C8",
"energy": -91.48259848,
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"updated_at": "2021-11-28T01:36:17.970000Z",
"spacegroup": 121
},
{
"id": "mp-1216143",
"created_at": "2022-09-04T14:43:43.582729Z",
"structure_string": "Y2 Mg3 Zn3\n1.0\n8.165751 -2.458756 0.000000\n8.165751 2.458756 0.000000\n7.425405 0.000000 4.193844\nY Mg Zn\n2 3 3\ndirect\n0.993602 0.993602 0.993602 Y\n0.505555 0.505555 0.505555 Y\n0.753487 0.753487 0.753487 Mg\n0.247491 0.247491 0.247491 Mg\n0.376585 0.376585 0.376585 Mg\n0.873868 0.873868 0.873868 Zn\n0.120000 0.120000 0.120000 Zn\n0.629413 0.629413 0.629413 Zn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Mg",
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],
"chemical_system": "Mg-Y-Zn",
"density": 4.407149686539323,
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"volume": 168.40455455331045,
"volume_molar": 12.67694915181418,
"formula_full": "Y2 Mg3 Zn3",
"formula_reduced": "Y2(MgZn)3",
"formula_anonymous": "A2B3C3",
"energy": -23.69869989,
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"spacegroup": 160
},
{
"id": "mp-1228880",
"created_at": "2022-09-04T14:43:43.787943Z",
"structure_string": "Al2 Ni8 Ge2\n1.0\n0.000000 -3.828395 0.000000\n-5.019173 0.000000 0.000000\n0.000000 0.000000 -7.340219\nAl Ni Ge\n2 8 2\ndirect\n0.750000 0.810981 0.890178 Al\n0.750000 0.310981 0.609822 Al\n0.750000 0.446860 0.283173 Ni\n0.750000 0.946860 0.216827 Ni\n0.250000 0.564956 0.726731 Ni\n0.250000 0.064956 0.773269 Ni\n0.750000 0.335095 0.938381 Ni\n0.750000 0.835095 0.561619 Ni\n0.250000 0.659442 0.069595 Ni\n0.250000 0.159442 0.430405 Ni\n0.250000 0.182666 0.099948 Ge\n0.250000 0.682666 0.400052 Ge\n",
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"elements": [
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"Ni",
"Ge"
],
"chemical_system": "Al-Ge-Ni",
"density": 7.873741004238131,
"density_atomic": 0.08507918539164792,
"volume": 141.04507400676192,
"volume_molar": 7.078277409777812,
"formula_full": "Al2 Ni8 Ge2",
"formula_reduced": "AlNi4Ge",
"formula_anonymous": "ABC4",
"energy": -68.0232404,
"energy_per_atom": -5.668603366666667,
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"updated_at": "2021-11-28T01:36:27.876000Z",
"spacegroup": 26
},
{
"id": "mp-9225",
"created_at": "2022-09-04T14:43:41.232912Z",
"structure_string": "Sc4 Si4 Pt4\n1.0\n4.148859 0.000000 0.000000\n0.000000 6.617836 0.000000\n0.000000 0.000000 7.355886\nSc Si Pt\n4 4 4\ndirect\n0.750000 0.501082 0.799071 Sc\n0.250000 0.998918 0.299071 Sc\n0.750000 0.001082 0.700929 Sc\n0.250000 0.498918 0.200929 Sc\n0.250000 0.806546 0.905871 Si\n0.250000 0.306546 0.594129 Si\n0.750000 0.193454 0.094129 Si\n0.750000 0.693454 0.405871 Si\n0.250000 0.699251 0.583751 Pt\n0.250000 0.199251 0.916249 Pt\n0.750000 0.800749 0.083751 Pt\n0.750000 0.300749 0.416249 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Pt"
],
"chemical_system": "Pt-Sc-Si",
"density": 8.8179452843771,
"density_atomic": 0.05941574952416113,
"volume": 201.96665187435292,
"volume_molar": 10.135596720110593,
"formula_full": "Sc4 Si4 Pt4",
"formula_reduced": "ScSiPt",
"formula_anonymous": "ABC",
"energy": -85.32159526,
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"updated_at": "2021-11-28T01:36:17.961000Z",
"spacegroup": 62
}
]
}