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{
"id": "mp-1232360",
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"structure_string": "Ce6 Mg6 Se18\n1.0\n7.130368 -0.000001 0.000000\n-3.565183 6.175080 0.000000\n0.000000 0.000000 18.927456\nCe Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.344241 Ce\n0.000000 0.000000 0.655759 Ce\n0.666667 0.333333 0.677574 Ce\n0.666667 0.333333 0.989092 Ce\n0.333333 0.666667 0.010908 Ce\n0.333333 0.666667 0.322426 Ce\n0.000000 0.000000 0.153406 Mg\n0.000000 0.000000 0.846594 Mg\n0.666667 0.333333 0.486739 Mg\n0.666667 0.333333 0.179927 Mg\n0.333333 0.666667 0.820073 Mg\n0.333333 0.666667 0.513261 Mg\n0.978819 0.337173 0.580249 Se\n0.021181 0.662827 0.419751 Se\n0.662827 0.641646 0.580249 Se\n0.337173 0.358354 0.419751 Se\n0.358354 0.021181 0.580249 Se\n0.641646 0.978819 0.419751 Se\n0.645486 0.670506 0.913582 Se\n0.687848 0.996160 0.753084 Se\n0.329494 0.974979 0.913582 Se\n0.003840 0.691687 0.753084 Se\n0.025021 0.354514 0.913582 Se\n0.308313 0.312152 0.753084 Se\n0.312152 0.003840 0.246916 Se\n0.354514 0.329494 0.086418 Se\n0.996160 0.308313 0.246916 Se\n0.670506 0.025021 0.086418 Se\n0.691687 0.687848 0.246916 Se\n0.974979 0.645486 0.086418 Se\n",
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{
"id": "mp-1232259",
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"structure_string": "Ce2 Mg2 Se6\n1.0\n5.715651 4.081091 0.000000\n-5.715651 4.081091 0.000000\n0.000000 3.698930 6.142597\nCe Mg Se\n2 2 6\ndirect\n0.798913 0.798913 0.247859 Ce\n0.201087 0.201087 0.752141 Ce\n0.323884 0.676116 0.000000 Mg\n0.676116 0.323884 0.000000 Mg\n0.239718 0.938427 0.181975 Se\n0.760282 0.061573 0.818025 Se\n0.061573 0.760282 0.818025 Se\n0.938427 0.239718 0.181975 Se\n0.565132 0.565132 0.712888 Se\n0.434868 0.434868 0.287112 Se\n",
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"updated_at": "2021-11-28T01:38:04.966000Z",
"spacegroup": 12
},
{
"id": "mp-1232197",
"created_at": "2022-09-04T14:41:49.043314Z",
"structure_string": "Ce2 Mg2 S6\n1.0\n5.462824 3.851003 0.000000\n-5.462824 3.851003 0.000000\n0.000000 3.354531 5.940353\nCe Mg S\n2 2 6\ndirect\n0.804803 0.804803 0.262774 Ce\n0.195197 0.195197 0.737226 Ce\n0.326130 0.673870 0.000000 Mg\n0.673870 0.326130 0.000000 Mg\n0.247861 0.944140 0.176479 S\n0.752139 0.055860 0.823521 S\n0.055860 0.752139 0.823521 S\n0.944140 0.247861 0.176479 S\n0.555948 0.555948 0.715216 S\n0.444052 0.444052 0.284784 S\n",
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"elements": [
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"density": 3.4629550418848347,
"density_atomic": 0.04000982808996571,
"volume": 249.9385895264058,
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"formula_full": "Ce2 Mg2 S6",
"formula_reduced": "CeMgS3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:27.619000Z",
"spacegroup": 12
},
{
"id": "mp-1232253",
"created_at": "2022-09-04T14:45:16.412716Z",
"structure_string": "Ce6 Mg6 S18\n1.0\n6.845610 0.000000 0.000000\n-3.422805 5.928472 0.000000\n0.000000 0.000000 17.554691\nCe Mg S\n6 6 18\ndirect\n0.000000 0.000000 0.353852 Ce\n0.000000 0.000000 0.646148 Ce\n0.666667 0.333333 0.687185 Ce\n0.666667 0.333333 0.979481 Ce\n0.333333 0.666667 0.020519 Ce\n0.333333 0.666667 0.312815 Ce\n0.000000 0.000000 0.154026 Mg\n0.000000 0.000000 0.845974 Mg\n0.666667 0.333333 0.487359 Mg\n0.666667 0.333333 0.179307 Mg\n0.333333 0.666667 0.820693 Mg\n0.333333 0.666667 0.512641 Mg\n0.975687 0.350082 0.583279 S\n0.024313 0.649918 0.416721 S\n0.649918 0.625605 0.583279 S\n0.350082 0.374395 0.416721 S\n0.374395 0.024313 0.583279 S\n0.625605 0.975687 0.416721 S\n0.642354 0.683415 0.916612 S\n0.690980 0.983251 0.750054 S\n0.316585 0.958938 0.916612 S\n0.016749 0.707728 0.750054 S\n0.041062 0.357646 0.916612 S\n0.292272 0.309020 0.750054 S\n0.309020 0.016749 0.249946 S\n0.357646 0.316585 0.083388 S\n0.983251 0.292272 0.249946 S\n0.683415 0.041062 0.083388 S\n0.707728 0.690980 0.249946 S\n0.958938 0.642354 0.083388 S\n",
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"volume": 712.4397060768083,
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"formula_full": "Ce6 Mg6 S18",
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"updated_at": "2021-11-28T01:36:52.853000Z",
"spacegroup": 148
},
{
"id": "mp-1213760",
"created_at": "2022-09-04T14:43:23.119240Z",
"structure_string": "Ce3 Mg3 Rh3\n1.0\n3.705150 -6.417508 0.000000\n3.705150 6.417508 0.000000\n0.000000 0.000000 4.081234\nCe Mg Rh\n3 3 3\ndirect\n0.583389 0.000000 0.000000 Ce\n0.000000 0.583389 0.000000 Ce\n0.416611 0.416611 0.000000 Ce\n0.239968 0.000000 0.500000 Mg\n0.000000 0.239968 0.500000 Mg\n0.760032 0.760032 0.500000 Mg\n0.333333 0.666667 0.500000 Rh\n0.666667 0.333333 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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],
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"density": 6.861493549804104,
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"volume": 194.085774576055,
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"formula_full": "Ce3 Mg3 Rh3",
"formula_reduced": "CeMgRh",
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"updated_at": "2021-11-28T01:36:16.041000Z",
"spacegroup": 189
},
{
"id": "mp-19934",
"created_at": "2022-09-04T14:44:25.390574Z",
"structure_string": "Ce3 Mg3 Pt3\n1.0\n3.764624 -6.520520 0.000000\n3.764624 6.520520 0.000000\n0.000000 0.000000 4.115710\nCe Mg Pt\n3 3 3\ndirect\n0.585049 0.585049 0.000000 Ce\n0.414951 0.000000 0.000000 Ce\n0.000000 0.414951 0.000000 Ce\n0.000000 0.759958 0.500000 Mg\n0.240042 0.240042 0.500000 Mg\n0.759958 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.500000 Pt\n",
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"formula_full": "Ce3 Mg3 Pt3",
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{
"id": "mp-19731",
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"structure_string": "Ce3 Mg3 Pd3\n1.0\n3.813787 -6.605672 0.000000\n3.813787 6.605672 0.000000\n0.000000 0.000000 4.082879\nCe Mg Pd\n3 3 3\ndirect\n0.000000 0.583392 0.500000 Ce\n0.583392 0.000000 0.500000 Ce\n0.416608 0.416608 0.500000 Ce\n0.761636 0.761636 0.000000 Mg\n0.238364 0.000000 0.000000 Mg\n0.000000 0.238364 0.000000 Mg\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n",
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"formula_full": "Ce3 Mg3 Pd3",
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{
"id": "mp-1202143",
"created_at": "2022-09-04T14:39:23.992560Z",
"structure_string": "Ce4 Mg4 N24 O96\n1.0\n12.506449 -0.000000 -0.000000\n0.000000 12.506449 -0.000000\n-0.000000 0.000000 12.506449\nCe Mg N O\n4 4 24 96\ndirect\n0.500000 0.500000 -0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 -0.000000 Ce\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.331563 0.426834 0.156152 N\n0.668437 0.926834 0.343848 N\n0.168437 0.573166 0.656152 N\n0.831563 0.073166 0.843848 N\n0.156152 0.331563 0.426834 N\n0.343848 0.668437 0.926834 N\n0.656152 0.168437 0.573166 N\n0.843848 0.831563 0.073166 N\n0.426834 0.156152 0.331563 N\n0.926834 0.343848 0.668437 N\n0.573166 0.656152 0.168437 N\n0.073166 0.843848 0.831563 N\n0.668437 0.573166 0.843848 N\n0.331563 0.073166 0.656152 N\n0.831563 0.426834 0.343848 N\n0.168437 0.926834 0.156152 N\n0.843848 0.668437 0.573166 N\n0.656152 0.331563 0.073166 N\n0.343848 0.831563 0.426834 N\n0.156152 0.168437 0.926834 N\n0.573166 0.843848 0.668437 N\n0.073166 0.656152 0.331563 N\n0.426834 0.343848 0.831563 N\n0.926834 0.156152 0.168437 N\n0.343275 0.387937 0.062246 O\n0.656725 0.887937 0.437754 O\n0.156725 0.612063 0.562246 O\n0.843275 0.112063 0.937754 O\n0.062246 0.343275 0.387937 O\n0.437754 0.656725 0.887937 O\n0.562246 0.156725 0.612063 O\n0.937754 0.843275 0.112063 O\n0.387937 0.062246 0.343275 O\n0.887937 0.437754 0.656725 O\n0.612063 0.562246 0.156725 O\n0.112063 0.937754 0.843275 O\n0.656725 0.612063 0.937754 O\n0.343275 0.112063 0.562246 O\n0.843275 0.387937 0.437754 O\n0.156725 0.887937 0.062246 O\n0.937754 0.656725 0.612063 O\n0.562246 0.343275 0.112063 O\n0.437754 0.843275 0.387937 O\n0.062246 0.156725 0.887937 O\n0.612063 0.937754 0.656725 O\n0.112063 0.562246 0.343275 O\n0.387937 0.437754 0.843275 O\n0.887937 0.062246 0.156725 O\n0.405090 0.493313 0.184354 O\n0.594910 0.993313 0.315646 O\n0.094910 0.506687 0.684354 O\n0.905090 0.006687 0.815646 O\n0.184354 0.405090 0.493313 O\n0.315646 0.594910 0.993313 O\n0.684354 0.094910 0.506687 O\n0.815646 0.905090 0.006687 O\n0.493313 0.184354 0.405090 O\n0.993313 0.315646 0.594910 O\n0.506687 0.684354 0.094910 O\n0.006687 0.815646 0.905090 O\n0.594910 0.506687 0.815646 O\n0.405090 0.006687 0.684354 O\n0.905090 0.493313 0.315646 O\n0.094910 0.993313 0.184354 O\n0.815646 0.594910 0.506687 O\n0.684354 0.405090 0.006687 O\n0.315646 0.905090 0.493313 O\n0.184354 0.094910 0.993313 O\n0.506687 0.815646 0.594910 O\n0.006687 0.684354 0.405090 O\n0.493313 0.315646 0.905090 O\n0.993313 0.184354 0.094910 O\n0.256441 0.403644 0.214023 O\n0.743559 0.903644 0.285977 O\n0.243559 0.596356 0.714023 O\n0.756441 0.096356 0.785977 O\n0.214023 0.256441 0.403644 O\n0.285977 0.743559 0.903644 O\n0.714023 0.243559 0.596356 O\n0.785977 0.756441 0.096356 O\n0.403644 0.214023 0.256441 O\n0.903644 0.285977 0.743559 O\n0.596356 0.714023 0.243559 O\n0.096356 0.785977 0.756441 O\n0.743559 0.596356 0.785977 O\n0.256441 0.096356 0.714023 O\n0.756441 0.403644 0.285977 O\n0.243559 0.903644 0.214023 O\n0.785977 0.743559 0.596356 O\n0.714023 0.256441 0.096356 O\n0.285977 0.756441 0.403644 O\n0.214023 0.243559 0.903644 O\n0.596356 0.785977 0.743559 O\n0.096356 0.714023 0.256441 O\n0.403644 0.285977 0.756441 O\n0.903644 0.214023 0.243559 O\n0.109050 0.042199 0.389382 O\n0.890950 0.542199 0.110618 O\n0.390950 0.957801 0.889382 O\n0.609050 0.457801 0.610618 O\n0.389382 0.109050 0.042199 O\n0.110618 0.890950 0.542199 O\n0.889382 0.390950 0.957801 O\n0.610618 0.609050 0.457801 O\n0.042199 0.389382 0.109050 O\n0.542199 0.110618 0.890950 O\n0.957801 0.889382 0.390950 O\n0.457801 0.610618 0.609050 O\n0.890950 0.957801 0.610618 O\n0.109050 0.457801 0.889382 O\n0.609050 0.042199 0.110618 O\n0.390950 0.542199 0.389382 O\n0.610618 0.890950 0.957801 O\n0.889382 0.109050 0.457801 O\n0.110618 0.609050 0.042199 O\n0.389382 0.390950 0.542199 O\n0.957801 0.610618 0.890950 O\n0.457801 0.889382 0.109050 O\n0.042199 0.110618 0.609050 O\n0.542199 0.389382 0.390950 O\n",
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"elements": [
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"formula_full": "Ce4 Mg4 N24 O96",
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"updated_at": "2021-11-28T01:34:23.919000Z",
"spacegroup": 205
},
{
"id": "mp-1213828",
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