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{
"id": "mp-1214343",
"created_at": "2022-09-04T14:45:29.268282Z",
"structure_string": "Ce14 Pt6\n1.0\n0.000000 0.000000 -6.225092\n-4.744504 -8.217722 0.000000\n-4.744504 8.217722 0.000000\nCe Pt\n14 6\ndirect\n0.835603 0.866459 0.732918 Ce\n0.835603 0.866459 0.133541 Ce\n0.335603 0.133541 0.267082 Ce\n0.835603 0.267082 0.133541 Ce\n0.335603 0.133541 0.866459 Ce\n0.335603 0.732918 0.866459 Ce\n0.788178 0.666667 0.333333 Ce\n0.288178 0.333333 0.666667 Ce\n0.778691 0.199440 0.398880 Ce\n0.778691 0.199440 0.800560 Ce\n0.278691 0.800560 0.601120 Ce\n0.778691 0.601120 0.800560 Ce\n0.278691 0.800560 0.199440 Ce\n0.278691 0.398880 0.199440 Ce\n0.546313 0.508775 0.017551 Pt\n0.546313 0.508775 0.491225 Pt\n0.046313 0.491225 0.982449 Pt\n0.546313 0.982449 0.491225 Pt\n0.046313 0.491225 0.508775 Pt\n0.046313 0.017551 0.508775 Pt\n",
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{
"id": "mp-984717",
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"structure_string": "Be1 Ni3\n1.0\n3.418936 0.000000 0.000000\n0.000000 3.418936 0.000000\n0.000000 0.000000 3.418936\nBe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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},
{
"id": "mp-1022869",
"created_at": "2022-09-04T14:45:29.325901Z",
"structure_string": "Mg12 Mn2 Ga2\n1.0\n4.938759 0.000000 0.000000\n0.000000 6.145320 0.000000\n0.000000 0.000000 10.741077\nMg Mn Ga\n12 2 2\ndirect\n0.500000 0.249496 0.416542 Mg\n0.500000 0.750504 0.416542 Mg\n0.000000 0.753386 0.085841 Mg\n0.000000 0.246614 0.085841 Mg\n0.000000 0.000000 0.329058 Mg\n0.000000 0.500000 0.331002 Mg\n0.500000 0.749496 0.916542 Mg\n0.500000 0.250504 0.916542 Mg\n0.000000 0.253386 0.585841 Mg\n0.000000 0.746614 0.585841 Mg\n0.000000 0.500000 0.829058 Mg\n0.000000 0.000000 0.831002 Mg\n0.500000 0.000000 0.167731 Mn\n0.500000 0.500000 0.667731 Mn\n0.500000 0.500000 0.167438 Ga\n0.500000 0.000000 0.667438 Ga\n",
"nsites": 16,
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"formula_full": "Mg12 Mn2 Ga2",
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},
{
"id": "mp-754803",
"created_at": "2022-09-04T14:45:29.463016Z",
"structure_string": "Li2 Fe4 O8\n1.0\n5.118222 -2.982948 0.000000\n5.118222 2.982948 0.000000\n3.379732 0.000000 4.865346\nLi Fe O\n2 4 8\ndirect\n0.880750 0.880750 0.880750 Li\n0.501577 0.501577 0.501577 Li\n0.988475 0.503945 0.503945 Fe\n0.503945 0.503945 0.988475 Fe\n0.503945 0.988475 0.503945 Fe\n0.116928 0.116928 0.116928 Fe\n0.745015 0.745015 0.745015 O\n0.747767 0.288045 0.747767 O\n0.747767 0.747767 0.288045 O\n0.288045 0.747767 0.747767 O\n0.721765 0.250888 0.250888 O\n0.250888 0.250888 0.721765 O\n0.250888 0.721765 0.250888 O\n0.252247 0.252247 0.252247 O\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Li2 Fe4 O8",
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{
"id": "mp-972522",
"created_at": "2022-09-04T14:45:29.322504Z",
"structure_string": "Sm1 Tm1 Zn2\n1.0\n0.000000 3.585092 3.585092\n3.585092 0.000000 3.585092\n3.585092 3.585092 0.000000\nSm Tm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"density": 8.11033850631512,
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"volume": 92.1575478602622,
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"formula_full": "Sm1 Tm1 Zn2",
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"updated_at": "2021-11-28T01:37:09.982000Z",
"spacegroup": 225
},
{
"id": "mp-1190267",
"created_at": "2022-09-04T14:45:29.345941Z",
"structure_string": "Hf12 As8\n1.0\n3.691858 0.000000 0.000000\n0.000000 10.055185 0.000000\n0.000000 0.000000 10.550237\nHf As\n12 8\ndirect\n0.250000 0.625213 0.544855 Hf\n0.250000 0.874787 0.044855 Hf\n0.750000 0.374787 0.455145 Hf\n0.750000 0.125213 0.955145 Hf\n0.750000 0.068409 0.628213 Hf\n0.750000 0.431591 0.128213 Hf\n0.250000 0.931591 0.371787 Hf\n0.250000 0.568409 0.871787 Hf\n0.250000 0.292986 0.715079 Hf\n0.250000 0.207014 0.215079 Hf\n0.750000 0.707014 0.284921 Hf\n0.750000 0.792986 0.784921 Hf\n0.250000 0.176801 0.470232 As\n0.250000 0.323199 0.970232 As\n0.750000 0.823199 0.529768 As\n0.750000 0.676801 0.029768 As\n0.750000 0.498324 0.693374 As\n0.750000 0.001676 0.193374 As\n0.250000 0.501676 0.306626 As\n0.250000 0.998324 0.806626 As\n",
"nsites": 20,
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"elements": [
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"chemical_system": "As-Hf",
"density": 11.622536434264461,
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"formula_full": "Hf12 As8",
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"energy": -174.85078813999996,
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"spacegroup": 62
},
{
"id": "mp-1226341",
"created_at": "2022-09-04T14:45:29.376713Z",
"structure_string": "Cr4 Cd1 Co1 S8\n1.0\n0.000000 5.067451 5.067451\n5.067451 0.000000 5.067451\n5.067451 5.067451 0.000000\nCr Cd Co S\n4 1 1 8\ndirect\n0.620939 0.126354 0.126354 Cr\n0.126354 0.620939 0.126354 Cr\n0.126354 0.126354 0.620939 Cr\n0.126354 0.126354 0.126354 Cr\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Co\n0.326048 0.891317 0.891317 S\n0.891317 0.326048 0.891317 S\n0.891317 0.891317 0.326048 S\n0.891317 0.891317 0.891317 S\n0.896013 0.367996 0.367996 S\n0.367996 0.896013 0.367996 S\n0.367996 0.367996 0.896013 S\n0.367996 0.367996 0.367996 S\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cd-Co-Cr-S",
"density": 4.056991931049806,
"density_atomic": 0.05379344601865944,
"volume": 260.2547528772147,
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"formula_full": "Cr4 Cd1 Co1 S8",
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"formula_anonymous": "ABC4D8",
"energy": -92.24579193,
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"spacegroup": 216
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{
"id": "mp-777803",
"created_at": "2022-09-04T14:45:30.149494Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.336526 0.000000 0.000000\n0.000000 7.068884 0.000000\n0.000000 3.120327 9.186771\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.858868 0.668956 0.914706 Li\n0.357591 0.326922 0.590619 Li\n0.857591 0.673078 0.409381 Li\n0.358868 0.331044 0.085294 Li\n0.500669 0.730687 0.891934 Mn\n0.000669 0.269313 0.108066 Mn\n0.998117 0.273449 0.605171 V\n0.498117 0.726551 0.394829 V\n0.178627 0.517988 0.800947 P\n0.789183 0.088820 0.894727 P\n0.282854 0.911759 0.609607 P\n0.679643 0.477033 0.700964 P\n0.179643 0.522967 0.299036 P\n0.782854 0.088241 0.390393 P\n0.289183 0.911180 0.105273 P\n0.678627 0.482012 0.199053 P\n0.329535 0.852063 0.970681 O\n0.706806 0.888169 0.932837 O\n0.035664 0.478694 0.907356 O\n0.340467 0.495725 0.875614 O\n0.676836 0.608455 0.800296 O\n0.433096 0.913291 0.702106 O\n0.153745 0.750202 0.704277 O\n0.655669 0.247894 0.801443 O\n0.937707 0.095273 0.799419 O\n0.171546 0.398621 0.693533 O\n0.840186 0.492908 0.621786 O\n0.537466 0.514629 0.594834 O\n0.326092 0.851905 0.476762 O\n0.695211 0.888965 0.430981 O\n0.195211 0.111035 0.569019 O\n0.826092 0.148095 0.523238 O\n0.037466 0.485371 0.405166 O\n0.340186 0.507092 0.378214 O\n0.671546 0.601379 0.306467 O\n0.437707 0.904727 0.200581 O\n0.155669 0.752106 0.198557 O\n0.653745 0.249798 0.295723 O\n0.933096 0.086709 0.297894 O\n0.176836 0.391545 0.199704 O\n0.840467 0.504275 0.124386 O\n0.535664 0.521306 0.092644 O\n0.206806 0.111831 0.067163 O\n0.829535 0.147937 0.029319 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
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{
"id": "mp-1196645",
"created_at": "2022-09-04T14:45:29.312813Z",
"structure_string": "Cd8 S4 O24\n1.0\n7.400388 0.000000 0.000000\n0.000000 7.017503 0.000000\n0.000000 5.872014 10.255639\nCd S O\n8 4 24\ndirect\n0.027762 0.154836 0.823925 Cd\n0.472238 0.154836 0.323925 Cd\n0.972238 0.845164 0.176075 Cd\n0.527762 0.845164 0.676075 Cd\n0.165062 0.316942 0.495822 Cd\n0.334938 0.316942 0.995822 Cd\n0.834938 0.683058 0.504178 Cd\n0.665062 0.683058 0.004178 Cd\n0.503094 0.693160 0.279721 S\n0.996906 0.693160 0.779721 S\n0.496906 0.306840 0.720279 S\n0.003094 0.306840 0.220279 S\n0.439800 0.460827 0.362651 O\n0.060200 0.460827 0.862651 O\n0.560200 0.539173 0.637349 O\n0.939800 0.539173 0.137349 O\n0.483576 0.762662 0.139582 O\n0.016424 0.762662 0.639582 O\n0.516424 0.237338 0.860418 O\n0.983576 0.237338 0.360418 O\n0.698595 0.706134 0.310141 O\n0.801405 0.706134 0.810141 O\n0.301405 0.293866 0.689859 O\n0.198595 0.293866 0.189859 O\n0.392462 0.836718 0.312158 O\n0.107538 0.836718 0.812158 O\n0.607538 0.163282 0.687842 O\n0.892462 0.163282 0.187842 O\n0.172156 0.034705 0.018024 O\n0.327844 0.034705 0.518024 O\n0.827844 0.965295 0.981976 O\n0.672156 0.965295 0.481976 O\n0.937055 0.335841 0.618762 O\n0.562945 0.335841 0.118762 O\n0.062945 0.664159 0.381238 O\n0.437055 0.664159 0.881238 O\n",
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"formula_full": "Cd8 S4 O24",
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{
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"structure_string": "Li2 Ge1 Pd1\n1.0\n0.000000 3.041107 3.041107\n3.041107 0.000000 3.041107\n3.041107 3.041107 0.000000\nLi Ge Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Pd\n",
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{
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"created_at": "2022-09-04T14:45:31.513102Z",
"structure_string": "Yb4 Ge4 Rh4\n1.0\n4.398867 0.000000 0.000000\n0.000000 7.101700 0.000000\n0.000000 0.000000 7.202378\nYb Ge Rh\n4 4 4\ndirect\n0.750000 0.187106 0.508807 Yb\n0.250000 0.812894 0.491193 Yb\n0.750000 0.312894 0.008807 Yb\n0.250000 0.687106 0.991193 Yb\n0.750000 0.892753 0.200094 Ge\n0.250000 0.107247 0.799906 Ge\n0.750000 0.607247 0.700094 Ge\n0.250000 0.392753 0.299906 Ge\n0.250000 0.069523 0.146665 Rh\n0.750000 0.930477 0.853335 Rh\n0.250000 0.430477 0.646665 Rh\n0.750000 0.569523 0.353335 Rh\n",
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