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{
"id": "mp-1218320",
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"structure_string": "Sr1 Ce1 N2\n1.0\n3.708474 0.000000 0.000000\n0.000000 3.708474 0.000000\n0.000000 0.000000 5.003694\nSr Ce N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
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{
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{
"id": "mp-22428",
"created_at": "2022-09-04T14:40:01.951871Z",
"structure_string": "Sr4 Ce4 O12\n1.0\n6.049016 0.000000 0.000000\n0.000000 6.205675 0.000000\n0.000000 0.000000 8.667810\nSr Ce O\n4 4 12\ndirect\n0.988489 0.454113 0.250000 Sr\n0.488489 0.045887 0.750000 Sr\n0.511511 0.954113 0.250000 Sr\n0.011511 0.545887 0.750000 Sr\n0.500000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.394340 0.544285 0.250000 O\n0.300113 0.800029 0.556504 O\n0.800113 0.699971 0.443496 O\n0.699887 0.199971 0.443496 O\n0.199887 0.300029 0.943496 O\n0.199887 0.300029 0.556504 O\n0.800113 0.699971 0.056504 O\n0.894340 0.955715 0.750000 O\n0.105660 0.044285 0.250000 O\n0.699887 0.199971 0.056504 O\n0.605660 0.455715 0.750000 O\n0.300113 0.800029 0.943496 O\n",
"nsites": 20,
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"elements": [
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"density": 5.628809897949516,
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"volume": 325.37422254355494,
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"formula_full": "Sr4 Ce4 O12",
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"updated_at": "2021-11-28T01:34:47.351000Z",
"spacegroup": 62
},
{
"id": "mp-1523044",
"created_at": "2022-09-04T14:44:20.971634Z",
"structure_string": "Sr1 Ce1 Pr1 Co1 O6\n1.0\n-0.000000 -4.066094 -4.066094\n4.066094 0.000000 -4.066094\n4.066094 -4.066094 0.000000\nSr Ce Pr Co O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Co\n0.732518 0.267482 0.267482 O\n0.267482 0.732518 0.732518 O\n0.732518 0.267482 0.732518 O\n0.267482 0.732518 0.267482 O\n0.732518 0.732518 0.267482 O\n0.267482 0.267482 0.732518 O\n",
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"elements": [
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],
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"density": 6.466425883015409,
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"volume": 134.4504434563487,
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"formula_full": "Sr1 Ce1 Pr1 Co1 O6",
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"spacegroup": 216
},
{
"id": "mp-33392",
"created_at": "2022-09-04T14:44:04.248940Z",
"structure_string": "Sr2 Ce4 S8\n1.0\n-4.344958 4.344958 4.349044\n4.344958 -4.344958 4.349044\n4.344958 4.344958 -4.349044\nSr Ce S\n2 4 8\ndirect\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.375000 0.999160 0.124160 Ce\n0.749160 0.625000 0.624160 Ce\n0.875000 0.250840 0.875840 Ce\n0.000840 0.125000 0.375840 Ce\n0.114428 0.517971 0.748773 S\n0.115655 0.019198 0.751227 S\n0.634345 0.885572 0.403543 S\n0.267971 0.364428 0.248773 S\n0.482029 0.230802 0.596457 S\n0.635572 0.884345 0.903543 S\n0.769198 0.365655 0.251227 S\n0.980802 0.732029 0.096457 S\n",
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"elements": [
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],
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"density": 5.01688177370156,
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"volume": 328.4164923827704,
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"formula_full": "Sr2 Ce4 S8",
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"formula_anonymous": "AB2C4",
"energy": -92.7202883,
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"updated_at": "2021-11-28T01:36:33.116000Z",
"spacegroup": 122
},
{
"id": "mp-1218453",
"created_at": "2022-09-04T14:42:22.420863Z",
"structure_string": "Sr2 Ce2 Sc2 O8\n1.0\n2.858813 -6.206739 0.000000\n2.858813 6.206739 0.000000\n0.000000 0.000000 5.880533\nSr Ce Sc O\n2 2 2 8\ndirect\n0.895648 0.104352 0.485201 Sr\n0.104352 0.895648 0.985201 Sr\n0.607439 0.392561 0.516384 Ce\n0.392561 0.607439 0.016384 Ce\n0.244931 0.755069 0.504973 Sc\n0.755069 0.244931 0.004973 Sc\n0.971991 0.517366 0.258117 O\n0.028009 0.482634 0.758117 O\n0.517366 0.971991 0.758117 O\n0.482634 0.028009 0.258117 O\n0.916408 0.083592 0.065310 O\n0.566034 0.433966 0.911898 O\n0.083592 0.916408 0.565310 O\n0.433966 0.566034 0.411898 O\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ce-O-Sc-Sr",
"density": 5.35812403222978,
"density_atomic": 0.06708603385288758,
"volume": 208.6872512198364,
"volume_molar": 8.976742869023834,
"formula_full": "Sr2 Ce2 Sc2 O8",
"formula_reduced": "SrCeScO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 36
},
{
"id": "mp-36819",
"created_at": "2022-09-04T14:46:15.116316Z",
"structure_string": "Sr2 Ce4 Se8\n1.0\n-4.535481 4.535481 4.532392\n4.535481 -4.535481 4.532392\n4.535481 4.535481 -4.532392\nSr Ce Se\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.998231 0.375000 0.123231 Ce\n0.251769 0.875000 0.876769 Ce\n0.625000 0.748231 0.623231 Ce\n0.125000 0.001769 0.376769 Ce\n0.519880 0.115344 0.749050 Se\n0.020831 0.116294 0.750950 Se\n0.365344 0.269880 0.249050 Se\n0.229169 0.480120 0.595464 Se\n0.366294 0.770831 0.250950 Se\n0.883706 0.634656 0.904536 Se\n0.884656 0.633706 0.404536 Se\n0.730120 0.979169 0.095464 Se\n",
"nsites": 14,
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],
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"density": 6.088431605966881,
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"volume": 372.9358721577015,
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"formula_full": "Sr2 Ce4 Se8",
"formula_reduced": "Sr(CeSe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 122
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{
"id": "mp-1218325",
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"structure_string": "Sr1 Ce1 V1 O4\n1.0\n-1.962551 1.962551 6.269544\n1.962551 -1.962551 6.269544\n1.962551 1.962551 -6.269544\nSr Ce V O\n1 1 1 4\ndirect\n0.644079 0.644079 0.000000 Sr\n0.357322 0.357322 0.000000 Ce\n0.001257 0.001257 0.000000 V\n0.992446 0.492446 0.500000 O\n0.492446 0.992446 0.500000 O\n0.833305 0.833305 0.000000 O\n0.179144 0.179144 0.000000 O\n",
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{
"id": "mp-23209",
"created_at": "2022-09-04T14:45:11.440490Z",
"structure_string": "Sr1 Cl2\n1.0\n0.000000 3.523613 3.523613\n3.523613 0.000000 3.523613\n3.523613 3.523613 0.000000\nSr Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
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"formula_full": "Sr1 Cl2",
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"spacegroup": 225
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{
"id": "mp-732286",
"created_at": "2022-09-04T14:46:59.328609Z",
"structure_string": "Sr4 Cl8 O4\n1.0\n4.775335 0.000000 0.000000\n0.000000 8.025166 0.000000\n0.000000 0.000000 10.566936\nSr Cl O\n4 8 4\ndirect\n0.250000 0.390098 0.686028 Sr\n0.250000 0.109902 0.186028 Sr\n0.750000 0.609902 0.313972 Sr\n0.750000 0.890098 0.813972 Sr\n0.750000 0.621029 0.606669 Cl\n0.750000 0.878971 0.106669 Cl\n0.250000 0.378971 0.393331 Cl\n0.250000 0.121029 0.893331 Cl\n0.750000 0.163226 0.617070 Cl\n0.750000 0.336774 0.117070 Cl\n0.250000 0.836774 0.382930 Cl\n0.250000 0.663226 0.882930 Cl\n0.750000 0.391821 0.766922 O\n0.750000 0.108179 0.266922 O\n0.250000 0.608179 0.233078 O\n0.250000 0.891821 0.733078 O\n",
"nsites": 16,
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"elements": [
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"density": 2.862600781945947,
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"volume": 404.95516754101675,
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"formula_full": "Sr4 Cl8 O4",
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"spacegroup": 62
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{
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"created_at": "2022-09-04T14:46:18.001242Z",
"structure_string": "Sr2 Cl6\n1.0\n3.169923 -5.490468 0.000000\n3.169923 5.490468 0.000000\n0.000000 0.000000 5.721023\nSr Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.173038 0.346077 0.250000 Cl\n0.653923 0.826962 0.250000 Cl\n0.173038 0.826962 0.250000 Cl\n0.826962 0.653923 0.750000 Cl\n0.346077 0.173038 0.750000 Cl\n0.826962 0.173038 0.750000 Cl\n",
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"formula_full": "Sr2 Cl6",
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"spacegroup": 194
},
{
"id": "mp-22957",
"created_at": "2022-09-04T14:42:47.520203Z",
"structure_string": "Sr2 Cl2 F2\n1.0\n4.181176 0.000000 0.000000\n0.000000 4.181176 0.000000\n0.000000 0.000000 7.019690\nSr Cl F\n2 2 2\ndirect\n0.000000 0.500000 0.798826 Sr\n0.500000 0.000000 0.201174 Sr\n0.500000 0.000000 0.643007 Cl\n0.000000 0.500000 0.356993 Cl\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.8447750200454647,
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"volume": 122.71985436354119,
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"formula_full": "Sr2 Cl2 F2",
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"updated_at": "2021-11-28T01:35:53.148000Z",
"spacegroup": 129
}
]
}