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{
"id": "mp-1022196",
"created_at": "2022-09-04T14:42:44.458180Z",
"structure_string": "Na2 Mg12 Co2\n1.0\n4.922890 0.000000 0.000000\n0.000000 6.422870 0.000000\n0.000000 0.000000 10.590139\nNa Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.836932 Na\n0.500000 0.000000 0.336932 Na\n0.500000 0.250115 0.085267 Mg\n0.500000 0.749885 0.085267 Mg\n0.000000 0.229604 0.909927 Mg\n0.000000 0.770396 0.909927 Mg\n0.000000 0.500000 0.172735 Mg\n0.000000 0.500000 0.662589 Mg\n0.500000 0.750115 0.585267 Mg\n0.500000 0.249885 0.585267 Mg\n0.000000 0.729604 0.409927 Mg\n0.000000 0.270396 0.409927 Mg\n0.000000 0.000000 0.672735 Mg\n0.000000 0.000000 0.162589 Mg\n0.500000 0.500000 0.337359 Co\n0.500000 0.000000 0.837359 Co\n",
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{
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{
"id": "mp-29711",
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"structure_string": "Tl4 Te6\n1.0\n3.330012 6.688621 0.000000\n-3.330012 6.688621 0.000000\n0.000000 2.187008 7.882279\nTl Te\n4 6\ndirect\n0.764615 0.451614 0.550720 Tl\n0.548386 0.235385 0.949280 Tl\n0.235385 0.548386 0.449280 Tl\n0.451614 0.764615 0.050720 Tl\n0.966202 0.677069 0.073002 Te\n0.322931 0.033798 0.426998 Te\n0.033798 0.322931 0.926998 Te\n0.677069 0.966202 0.573002 Te\n0.863532 0.136468 0.250000 Te\n0.136468 0.863532 0.750000 Te\n",
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"formula_full": "Tl4 Te6",
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:47:09.565247Z",
"structure_string": "Ti1 Sn1 Ru2\n1.0\n0.000000 3.151839 3.151839\n3.151839 0.000000 3.151839\n3.151839 3.151839 0.000000\nTi Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
"id": "mp-1077023",
"created_at": "2022-09-04T14:43:19.298141Z",
"structure_string": "Ti2 Cu4\n1.0\n2.256138 -3.993097 0.000000\n2.256138 3.993097 0.000000\n0.000000 0.000000 4.464144\nTi Cu\n2 4\ndirect\n0.773849 0.773849 0.250000 Ti\n0.226151 0.226151 0.750000 Ti\n0.113115 0.457358 0.250000 Cu\n0.542642 0.886885 0.750000 Cu\n0.886885 0.542642 0.750000 Cu\n0.457358 0.113115 0.250000 Cu\n",
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"formula_full": "Ti2 Cu4",
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"spacegroup": 63
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{
"id": "mp-1113320",
"created_at": "2022-09-04T14:43:15.505278Z",
"structure_string": "Rb2 Ga1 Hg1 Cl6\n1.0\n0.000000 5.268612 5.268612\n5.268612 0.000000 5.268612\n5.268612 5.268612 0.000000\nRb Ga Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.769059 0.230941 0.230941 Cl\n0.230941 0.230941 0.769059 Cl\n0.230941 0.769059 0.769059 Cl\n0.230941 0.769059 0.230941 Cl\n0.769059 0.230941 0.769059 Cl\n0.769059 0.769059 0.230941 Cl\n",
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"density": 3.712667188528925,
"density_atomic": 0.034188602922658684,
"volume": 292.49513420077324,
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"formula_full": "Rb2 Ga1 Hg1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1217289",
"created_at": "2022-09-04T14:40:26.836732Z",
"structure_string": "Th1 Zr3\n1.0\n1.656243 -2.868697 0.000000\n1.656243 2.868697 0.000000\n0.000000 0.000000 10.784718\nTh Zr\n1 3\ndirect\n0.333333 0.666667 0.000000 Th\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.265062 Zr\n0.000000 0.000000 0.734938 Zr\n",
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{
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"created_at": "2022-09-04T14:43:21.905950Z",
"structure_string": "Ce2 Si2 I2\n1.0\n2.076872 -3.597248 0.000000\n2.076872 3.597248 0.000000\n0.000000 0.000000 12.091619\nCe Si I\n2 2 2\ndirect\n0.000000 0.000000 0.840539 Ce\n0.000000 0.000000 0.159461 Ce\n0.333333 0.666667 0.996130 Si\n0.666667 0.333333 0.003870 Si\n0.333333 0.666667 0.338875 I\n0.666667 0.333333 0.661125 I\n",
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"volume": 180.67354298940313,
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"formula_full": "Ce2 Si2 I2",
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{
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"structure_string": "Pr1 Al2 Ni3\n1.0\n2.660698 -4.608463 0.000000\n2.660698 4.608463 0.000000\n0.000000 0.000000 3.827341\nPr Al Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.000000 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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{
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"structure_string": "K2 Hg1 As1 Cl6\n1.0\n0.000000 5.338165 5.338165\n5.338165 0.000000 5.338165\n5.338165 5.338165 0.000000\nK Hg As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.764583 0.235417 0.235417 Cl\n0.235417 0.235417 0.764583 Cl\n0.235417 0.764583 0.764583 Cl\n0.235417 0.764583 0.235417 Cl\n0.764583 0.235417 0.764583 Cl\n0.764583 0.764583 0.235417 Cl\n",
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{
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"formula_full": "Li1 Pr1 Nd1 O2",
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{
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]
}