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{
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"results": [
{
"id": "mp-724714",
"created_at": "2022-09-04T14:45:07.677670Z",
"structure_string": "Sr25 Cl52\n1.0\n8.653637 0.000000 0.000000\n-1.441343 13.159061 0.000000\n-1.451878 -6.801495 19.438632\nSr Cl\n25 52\ndirect\n0.760023 0.120451 0.980060 Sr\n0.839241 0.079199 0.819803 Sr\n0.327916 0.839345 0.860628 Sr\n0.440686 0.279194 0.620235 Sr\n0.799784 0.600747 0.899827 Sr\n0.911859 0.040109 0.659763 Sr\n0.275645 0.357225 0.939127 Sr\n0.037170 0.474532 0.422025 Sr\n0.400793 0.802004 0.699815 Sr\n0.518802 0.242683 0.457303 Sr\n0.881887 0.556675 0.739788 Sr\n0.642017 0.677500 0.219673 Sr\n0.000000 0.000000 0.500000 Sr\n0.357983 0.322500 0.780327 Sr\n0.118113 0.443325 0.260212 Sr\n0.481198 0.757317 0.542697 Sr\n0.599207 0.197996 0.300185 Sr\n0.239977 0.879549 0.019940 Sr\n0.962830 0.525468 0.577975 Sr\n0.088141 0.959891 0.340237 Sr\n0.724355 0.642775 0.060873 Sr\n0.559314 0.720806 0.379765 Sr\n0.200216 0.399253 0.100173 Sr\n0.672084 0.160655 0.139372 Sr\n0.160759 0.920801 0.180197 Sr\n0.890876 0.931675 0.969560 Cl\n0.189504 0.029914 0.870132 Cl\n0.485846 0.136688 0.770321 Cl\n0.673417 0.784272 0.915758 Cl\n0.981349 0.888083 0.811836 Cl\n0.149346 0.550388 0.950040 Cl\n0.444370 0.640017 0.852992 Cl\n0.795599 0.240327 0.666859 Cl\n0.090224 0.329846 0.570014 Cl\n0.620187 0.940258 0.759860 Cl\n0.566700 0.096097 0.604031 Cl\n0.258570 0.991908 0.708158 Cl\n0.929530 0.409694 0.890032 Cl\n0.689885 0.529739 0.370099 Cl\n0.050398 0.850070 0.649884 Cl\n0.390172 0.430329 0.470004 Cl\n0.754191 0.743240 0.749682 Cl\n0.409792 0.169684 0.930002 Cl\n0.529581 0.609670 0.690518 Cl\n0.869841 0.188855 0.510324 Cl\n0.169574 0.289966 0.409925 Cl\n0.229565 0.511266 0.789275 Cl\n0.650351 0.050596 0.449768 Cl\n0.349649 0.949404 0.550232 Cl\n0.289435 0.730413 0.169844 Cl\n0.989689 0.630694 0.269850 Cl\n0.010311 0.369306 0.730150 Cl\n0.710565 0.269587 0.830156 Cl\n0.770435 0.488734 0.210725 Cl\n0.470419 0.390330 0.309482 Cl\n0.130159 0.811145 0.489676 Cl\n0.830426 0.710034 0.590075 Cl\n0.949602 0.149930 0.350116 Cl\n0.609828 0.569671 0.529996 Cl\n0.245809 0.256760 0.250318 Cl\n0.310115 0.470261 0.629901 Cl\n0.590208 0.830316 0.069998 Cl\n0.741430 0.008092 0.291842 Cl\n0.433300 0.903903 0.395969 Cl\n0.369088 0.690137 0.009964 Cl\n0.070470 0.590306 0.109968 Cl\n0.379813 0.059742 0.240140 Cl\n0.204401 0.759673 0.333141 Cl\n0.909776 0.670154 0.429986 Cl\n0.850654 0.449612 0.049960 Cl\n0.555630 0.359983 0.147008 Cl\n0.326583 0.215728 0.084242 Cl\n0.018651 0.111917 0.188164 Cl\n0.810496 0.970086 0.129868 Cl\n0.514154 0.863312 0.229679 Cl\n0.630912 0.309863 0.990036 Cl\n0.109124 0.068325 0.030440 Cl\n",
"nsites": 77,
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"elements": [
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],
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"density": 3.0262287187671073,
"density_atomic": 0.03478575656474353,
"volume": 2213.549671017992,
"volume_molar": 17.312087919639012,
"formula_full": "Sr25 Cl52",
"formula_reduced": "Sr25Cl52",
"formula_anonymous": "A25B52",
"energy": -221.32501424,
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"updated_at": "2021-11-28T01:36:46.688000Z",
"spacegroup": 2
},
{
"id": "mp-1184519",
"created_at": "2022-09-04T14:46:40.001933Z",
"structure_string": "In6 Cl2\n1.0\n3.290499 -5.699311 0.000000\n3.290499 5.699311 0.000000\n0.000000 0.000000 6.118938\nIn Cl\n6 2\ndirect\n0.165097 0.330194 0.250000 In\n0.669806 0.834903 0.250000 In\n0.165097 0.834903 0.250000 In\n0.834903 0.669806 0.750000 In\n0.330194 0.165097 0.750000 In\n0.834903 0.165097 0.750000 In\n0.333333 0.666667 0.750000 Cl\n0.666667 0.333333 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Cl-In",
"density": 5.497512444385157,
"density_atomic": 0.03485778759683826,
"volume": 229.50395167149483,
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"formula_full": "In6 Cl2",
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"updated_at": "2021-11-28T01:37:49.766000Z",
"spacegroup": 194
},
{
"id": "mp-22999",
"created_at": "2022-09-04T14:44:22.464931Z",
"structure_string": "Hg6 Cl4 O4\n1.0\n7.104085 0.000000 0.000000\n0.000000 6.485838 0.000000\n0.000000 2.802094 6.368692\nHg Cl O\n6 4 4\ndirect\n0.864013 0.423243 0.238637 Hg\n0.364013 0.576757 0.261363 Hg\n0.135987 0.576757 0.761363 Hg\n0.635987 0.423243 0.738637 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.625865 0.779513 0.960814 Cl\n0.125865 0.220487 0.539186 Cl\n0.874135 0.779513 0.460814 Cl\n0.374135 0.220487 0.039186 Cl\n0.603912 0.324964 0.439571 O\n0.103912 0.675036 0.060429 O\n0.396088 0.675036 0.560429 O\n0.896088 0.324964 0.939571 O\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Cl-Hg-O",
"density": 7.975232298102578,
"density_atomic": 0.04770935480682524,
"volume": 293.44349879988687,
"volume_molar": 12.622557534855785,
"formula_full": "Hg6 Cl4 O4",
"formula_reduced": "Hg3(ClO)2",
"formula_anonymous": "A2B2C3",
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"spacegroup": 14
},
{
"id": "mp-1219574",
"created_at": "2022-09-04T14:47:46.181715Z",
"structure_string": "Rb5 Sb4\n1.0\n2.892772 6.550159 0.000000\n-2.892772 6.550159 0.000000\n0.000000 4.528000 10.844039\nRb Sb\n5 4\ndirect\n0.750228 0.750228 0.665942 Rb\n0.260056 0.260056 0.332113 Rb\n0.395159 0.395159 0.895533 Rb\n0.604720 0.604720 0.100390 Rb\n0.528079 0.528079 0.483546 Rb\n0.042062 0.042062 0.682910 Sb\n0.955901 0.955901 0.318713 Sb\n0.100314 0.100314 0.890424 Sb\n0.898780 0.898780 0.109329 Sb\n",
"nsites": 9,
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],
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"density": 3.6947769607523657,
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"volume": 410.9482297057135,
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"formula_full": "Rb5 Sb4",
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"formula_anonymous": "A4B5",
"energy": -25.86537869,
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"spacegroup": 8
},
{
"id": "mp-1096047",
"created_at": "2022-09-04T14:48:20.703750Z",
"structure_string": "Sc1 Cu1 Au2\n1.0\n-5.003698 5.680559 8.023472\n5.003698 -5.680559 8.023472\n5.003698 5.680559 -8.023472\nSc Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Cu\n0.000000 0.252989 0.252989 Au\n0.000000 0.747011 0.747011 Au\n",
"nsites": 4,
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"formula_full": "Sc1 Cu1 Au2",
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"spacegroup": 71
},
{
"id": "mp-1079421",
"created_at": "2022-09-04T14:42:18.123066Z",
"structure_string": "U2 Hg6\n1.0\n3.422607 -5.797949 0.000000\n3.422607 5.797949 0.000000\n0.000000 0.000000 5.066424\nU Hg\n2 6\ndirect\n0.665966 0.334034 0.750000 U\n0.334034 0.665966 0.250000 U\n0.669215 0.834591 0.750000 Hg\n0.165397 0.834603 0.750000 Hg\n0.165409 0.330785 0.750000 Hg\n0.330785 0.165409 0.250000 Hg\n0.834603 0.165397 0.250000 Hg\n0.834591 0.669215 0.250000 Hg\n",
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{
"id": "mp-984765",
"created_at": "2022-09-04T14:47:29.056065Z",
"structure_string": "Ba6 Te2\n1.0\n3.990532 -6.911804 0.000000\n3.990532 6.911804 0.000000\n0.000000 0.000000 6.237487\nBa Te\n6 2\ndirect\n0.177545 0.355089 0.250000 Ba\n0.644911 0.822456 0.250000 Ba\n0.177545 0.822456 0.250000 Ba\n0.822456 0.644911 0.750000 Ba\n0.355089 0.177545 0.750000 Ba\n0.822456 0.177545 0.750000 Ba\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n",
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{
"id": "mp-1099264",
"created_at": "2022-09-04T14:47:00.445686Z",
"structure_string": "Mg6 Mn1 C1\n1.0\n3.072732 -5.158623 0.000000\n3.072732 5.158623 0.000000\n0.000000 0.000000 4.659452\nMg Mn C\n6 1 1\ndirect\n0.663634 0.836239 0.000000 Mg\n0.163761 0.336366 0.000000 Mg\n0.847088 0.667582 0.500000 Mg\n0.332418 0.152912 0.500000 Mg\n0.828418 0.171582 0.500000 Mg\n0.323832 0.676168 0.500000 Mg\n0.666728 0.333272 0.000000 Mn\n0.174125 0.825875 0.000000 C\n",
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{
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"structure_string": "Cs2 Tl1 Sb1 I6\n1.0\n0.000000 6.360393 6.360393\n6.360393 0.000000 6.360393\n6.360393 6.360393 0.000000\nCs Tl Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761429 0.238571 0.238571 I\n0.238571 0.238571 0.761429 I\n0.238571 0.761429 0.761429 I\n0.238571 0.761429 0.238571 I\n0.761429 0.238571 0.761429 I\n0.761429 0.761429 0.238571 I\n",
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{
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{
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"created_at": "2022-09-04T14:41:50.027541Z",
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{
"id": "mp-1074753",
"created_at": "2022-09-04T14:42:51.882280Z",
"structure_string": "Mg8 Si4\n1.0\n5.392199 0.000000 0.000000\n-0.973318 6.284515 0.000000\n-0.024719 -2.429921 7.343499\nMg Si\n8 4\ndirect\n0.797305 0.897624 0.602331 Mg\n0.051209 0.752729 0.971384 Mg\n0.522033 0.661366 0.196526 Mg\n0.281172 0.635366 0.580139 Mg\n0.477967 0.338634 0.803474 Mg\n0.718828 0.364634 0.419861 Mg\n0.202695 0.102376 0.397669 Mg\n0.948791 0.247271 0.028616 Mg\n0.575545 0.835017 0.901998 Si\n0.424455 0.164983 0.098002 Si\n0.022487 0.666893 0.296170 Si\n0.977513 0.333107 0.703830 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.047096204748099,
"density_atomic": 0.048221479090096914,
"volume": 248.8517612157691,
"volume_molar": 12.48850278679392,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -34.47839744,
"energy_per_atom": -2.873199786666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.76239744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.304000Z",
"spacegroup": 2
}
]
}