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{
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"structure_string": "Cs4 Al4 Te12\n1.0\n14.135815 0.000000 0.000000\n0.000000 7.308163 0.000000\n0.000000 2.057246 8.038432\nCs Al Te\n4 4 12\ndirect\n0.580031 0.789992 0.744538 Cs\n0.080031 0.710008 0.255462 Cs\n0.419969 0.210008 0.255462 Cs\n0.919969 0.289992 0.744538 Cs\n0.726891 0.848853 0.179198 Al\n0.226891 0.651147 0.820802 Al\n0.273109 0.151147 0.820802 Al\n0.773109 0.348853 0.179198 Al\n0.679374 0.352083 0.455614 Te\n0.179374 0.147917 0.544386 Te\n0.320626 0.647917 0.544386 Te\n0.820626 0.852083 0.455614 Te\n0.830992 0.676400 0.995762 Te\n0.330992 0.823600 0.004238 Te\n0.169008 0.323600 0.004238 Te\n0.669008 0.176400 0.995762 Te\n0.570819 0.655309 0.281239 Te\n0.070819 0.844691 0.718761 Te\n0.429181 0.344691 0.718761 Te\n0.929181 0.155309 0.281239 Te\n",
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{
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{
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"created_at": "2022-09-04T14:40:29.289791Z",
"structure_string": "Ce16 Se12 N8\n1.0\n6.903775 0.000000 0.000000\n0.000000 10.790417 0.000000\n0.000000 0.000000 11.175754\nCe Se N\n16 12 8\ndirect\n0.602922 0.834519 0.750000 Ce\n0.102922 0.665481 0.750000 Ce\n0.397078 0.165481 0.250000 Ce\n0.897078 0.334519 0.250000 Ce\n0.705476 0.471847 0.750000 Ce\n0.205476 0.028153 0.750000 Ce\n0.294524 0.528153 0.250000 Ce\n0.794524 0.971847 0.250000 Ce\n0.661439 0.117042 0.947137 Ce\n0.161439 0.382958 0.552863 Ce\n0.338561 0.882958 0.447137 Ce\n0.838561 0.617042 0.052863 Ce\n0.338561 0.882958 0.052863 Ce\n0.838561 0.617042 0.447137 Ce\n0.661439 0.117042 0.552863 Ce\n0.161439 0.382958 0.947137 Ce\n0.924779 0.237741 0.750000 Se\n0.424779 0.262259 0.750000 Se\n0.075221 0.762259 0.250000 Se\n0.575221 0.737741 0.250000 Se\n0.559911 0.363638 0.079997 Se\n0.059911 0.136362 0.420003 Se\n0.440089 0.636362 0.579997 Se\n0.940089 0.863638 0.920003 Se\n0.440089 0.636362 0.920003 Se\n0.940089 0.863638 0.579997 Se\n0.559911 0.363638 0.420003 Se\n0.059911 0.136362 0.079997 Se\n0.555229 0.033378 0.119470 N\n0.055229 0.466622 0.380530 N\n0.444771 0.966622 0.619470 N\n0.944771 0.533378 0.880530 N\n0.444771 0.966622 0.880530 N\n0.944771 0.533378 0.619470 N\n0.555229 0.033378 0.380530 N\n0.055229 0.466622 0.119470 N\n",
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"formula_full": "Ce16 Se12 N8",
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{
"id": "mp-29938",
"created_at": "2022-09-04T14:40:52.417993Z",
"structure_string": "Ba8 Ga16 Sb16\n1.0\n4.517796 0.000000 0.000000\n0.000000 10.408419 0.000000\n0.000000 0.000000 25.879147\nBa Ga Sb\n8 16 16\ndirect\n0.750000 0.721893 0.538118 Ba\n0.250000 0.278107 0.461882 Ba\n0.250000 0.221893 0.961882 Ba\n0.750000 0.778107 0.038118 Ba\n0.250000 0.950667 0.708145 Ba\n0.750000 0.049333 0.291855 Ba\n0.750000 0.450667 0.791855 Ba\n0.250000 0.549333 0.208145 Ba\n0.250000 0.602974 0.965825 Ga\n0.750000 0.397026 0.034175 Ga\n0.750000 0.102974 0.534175 Ga\n0.250000 0.897026 0.465825 Ga\n0.750000 0.797150 0.784911 Ga\n0.250000 0.202850 0.215089 Ga\n0.250000 0.297150 0.715089 Ga\n0.750000 0.702850 0.284911 Ga\n0.750000 0.323047 0.578730 Ga\n0.250000 0.676953 0.421270 Ga\n0.750000 0.032740 0.818329 Ga\n0.250000 0.967260 0.181671 Ga\n0.250000 0.532740 0.681671 Ga\n0.750000 0.467260 0.318329 Ga\n0.250000 0.823047 0.921270 Ga\n0.750000 0.176953 0.078730 Ga\n0.250000 0.025675 0.078265 Sb\n0.750000 0.974325 0.921735 Sb\n0.750000 0.525675 0.421735 Sb\n0.250000 0.474325 0.578265 Sb\n0.250000 0.517625 0.070585 Sb\n0.750000 0.482375 0.929415 Sb\n0.750000 0.017625 0.429415 Sb\n0.250000 0.982375 0.570585 Sb\n0.250000 0.186500 0.814541 Sb\n0.750000 0.813500 0.185459 Sb\n0.250000 0.699750 0.829279 Sb\n0.750000 0.300250 0.170721 Sb\n0.750000 0.199750 0.670721 Sb\n0.250000 0.800250 0.329279 Sb\n0.750000 0.686500 0.685459 Sb\n0.250000 0.313500 0.314541 Sb\n",
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"formula_full": "Ba8 Ga16 Sb16",
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{
"id": "mp-1183978",
"created_at": "2022-09-04T14:40:55.668991Z",
"structure_string": "Ga3 Sn1\n1.0\n4.417918 0.000000 0.000000\n0.000000 4.417918 0.000000\n0.000000 0.000000 4.417918\nGa Sn\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "mp-1095265",
"created_at": "2022-09-04T14:40:14.466635Z",
"structure_string": "Li4 Yb4 Bi4\n1.0\n4.765329 0.000000 0.000000\n0.000000 7.774776 0.000000\n0.000000 0.000000 8.462007\nLi Yb Bi\n4 4 4\ndirect\n0.250000 0.158329 0.927538 Li\n0.250000 0.658329 0.572462 Li\n0.750000 0.841671 0.072462 Li\n0.750000 0.341671 0.427538 Li\n0.250000 0.009544 0.295819 Yb\n0.250000 0.509544 0.204181 Yb\n0.750000 0.990456 0.704181 Yb\n0.750000 0.490456 0.795819 Yb\n0.250000 0.269362 0.599743 Bi\n0.250000 0.769362 0.900257 Bi\n0.750000 0.730638 0.400257 Bi\n0.750000 0.230638 0.099743 Bi\n",
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"formula_full": "Li4 Yb4 Bi4",
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{
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"structure_string": "Mg1 Mn4 Si8 O22\n1.0\n8.750529 -0.067792 -0.124446\n-1.288267 7.640904 -0.265331\n-1.387598 -2.306240 6.626444\nMg Mn Si O\n1 4 8 22\ndirect\n0.000000 0.500000 0.000000 Mg\n0.376004 0.658466 0.852273 Mn\n0.400667 0.619678 0.345967 Mn\n0.599333 0.380322 0.654033 Mn\n0.623996 0.341534 0.147727 Mn\n0.040929 0.354075 0.256856 Si\n0.237954 0.203456 0.969144 Si\n0.222055 0.204328 0.535261 Si\n0.604992 0.982427 0.757515 Si\n0.395008 0.017573 0.242484 Si\n0.777945 0.795672 0.464739 Si\n0.762046 0.796544 0.030856 Si\n0.959071 0.645925 0.743144 Si\n0.128537 0.600389 0.825170 O\n0.059819 0.251982 0.421379 O\n0.169514 0.556591 0.302315 O\n0.070356 0.222786 0.036024 O\n0.183256 0.149518 0.723380 O\n0.262894 0.027481 0.377127 O\n0.371273 0.393391 0.608136 O\n0.448818 0.795962 0.637148 O\n0.429753 0.811289 0.181754 O\n0.308841 0.036789 0.021496 O\n0.376461 0.403264 0.091511 O\n0.623539 0.596736 0.908489 O\n0.691159 0.963211 0.978504 O\n0.570247 0.188711 0.818246 O\n0.551182 0.204038 0.362852 O\n0.628727 0.606609 0.391864 O\n0.737106 0.972519 0.622873 O\n0.816744 0.850482 0.276620 O\n0.929644 0.777214 0.963976 O\n0.830486 0.443409 0.697685 O\n0.940181 0.748018 0.578621 O\n0.871463 0.399611 0.174830 O\n",
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{
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{
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{
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{
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"structure_string": "Tl4 Sb1 As3 Se8\n1.0\n-5.762197 0.000000 0.000000\n0.000000 -3.814630 0.000000\n0.000000 0.000000 20.301596\nTl Sb As Se\n4 1 3 8\ndirect\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.254338 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 0.745662 Tl\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.251548 As\n0.000000 0.000000 0.500000 As\n0.500000 0.000000 0.748452 As\n0.500000 0.500000 0.154442 Se\n0.000000 0.500000 0.405600 Se\n0.500000 0.500000 0.654103 Se\n0.000000 0.500000 0.895232 Se\n0.000000 0.500000 0.104768 Se\n0.500000 0.500000 0.345897 Se\n0.000000 0.500000 0.594400 Se\n0.500000 0.500000 0.845558 Se\n",
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],
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"density_atomic": 0.03585496307636862,
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"formula_full": "Tl4 Sb1 As3 Se8",
"formula_reduced": "Tl4SbAs3Se8",
"formula_anonymous": "AB3C4D8",
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"updated_at": "2021-11-28T01:34:57.688000Z",
"spacegroup": 47
},
{
"id": "mp-1064300",
"created_at": "2022-09-04T14:40:29.959358Z",
"structure_string": "K2 C2\n1.0\n2.183903 3.778402 0.000000\n-2.183903 3.778402 0.000000\n0.000000 2.483686 7.122821\nK C\n2 2\ndirect\n0.241509 0.758491 0.250000 K\n0.758491 0.241509 0.750000 K\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n",
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],
"chemical_system": "C-K",
"density": 1.4439526207152593,
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"volume": 117.5502435984637,
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"formula_full": "K2 C2",
"formula_reduced": "KC",
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"updated_at": "2021-11-28T01:34:57.686000Z",
"spacegroup": 15
}
]
}