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{
"id": "mp-1205514",
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{
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},
{
"id": "mp-1205886",
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"structure_string": "Ba2 Pu1 Pa1 O6\n1.0\n-4.482062 -4.482062 0.000000\n-4.482062 0.000000 -4.482062\n0.000000 -4.482062 -4.482062\nBa Pu Pa O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Pa\n0.755607 0.755607 0.244393 O\n0.244393 0.244393 0.755607 O\n0.755607 0.244393 0.755607 O\n0.244393 0.755607 0.244393 O\n0.244393 0.755607 0.755607 O\n0.755607 0.244393 0.244393 O\n",
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"spacegroup": 225
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{
"id": "mp-1205598",
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"structure_string": "Ba2 Pu1 Mn1 O6\n1.0\n0.000000 4.247320 4.247320\n4.247320 0.000000 4.247320\n4.247320 4.247320 0.000000\nBa Pu Mn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Mn\n0.745993 0.254007 0.254007 O\n0.254007 0.745993 0.745993 O\n0.254007 0.745993 0.254007 O\n0.745993 0.254007 0.745993 O\n0.254007 0.254007 0.745993 O\n0.745993 0.745993 0.254007 O\n",
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],
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"volume": 153.24098811270235,
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"formula_full": "Ba2 Pu1 Mn1 O6",
"formula_reduced": "Ba2PuMnO6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1205697",
"created_at": "2022-09-04T14:40:18.848621Z",
"structure_string": "Ba2 Pu1 In1 O6\n1.0\n-4.313445 -4.313445 0.000000\n-4.313445 0.000000 -4.313445\n0.000000 -4.313445 -4.313445\nBa Pu In O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 In\n0.752971 0.752971 0.247029 O\n0.247029 0.247029 0.752971 O\n0.752971 0.247029 0.752971 O\n0.247029 0.752971 0.247029 O\n0.247029 0.752971 0.752971 O\n0.752971 0.247029 0.247029 O\n",
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"formula_full": "Ba2 Pu1 In1 O6",
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"updated_at": "2021-11-28T01:34:54.169000Z",
"spacegroup": 225
},
{
"id": "mp-1214338",
"created_at": "2022-09-04T14:45:19.227531Z",
"structure_string": "Ba2 Pt6 O8\n1.0\n6.059453 0.000000 0.000000\n0.000000 6.059453 0.000000\n0.000000 0.000000 6.059453\nBa Pt O\n2 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.000000 0.500000 Pt\n0.750000 0.000000 0.500000 Pt\n0.500000 0.250000 0.000000 Pt\n0.500000 0.750000 0.000000 Pt\n0.000000 0.500000 0.250000 Pt\n0.000000 0.500000 0.750000 Pt\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.250000 0.250000 O\n",
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"density": 11.741399139834995,
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"volume": 222.484758011856,
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},
{
"id": "mp-747",
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"structure_string": "Ba2 Pt4\n1.0\n0.000000 4.041182 4.041182\n4.041182 0.000000 4.041182\n4.041182 4.041182 0.000000\nBa Pt\n2 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ba\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n",
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{
"id": "mp-734295",
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"structure_string": "Ba2 Pt2 O14\n1.0\n4.977776 0.000000 0.000000\n0.000000 6.780155 0.000000\n0.000000 2.103165 7.696391\nBa Pt O\n2 2 14\ndirect\n0.750000 0.249530 0.559514 Ba\n0.250000 0.750470 0.440486 Ba\n0.750000 0.649271 0.810455 Pt\n0.250000 0.350729 0.189545 Pt\n0.750000 0.644663 0.085772 O\n0.250000 0.355337 0.914228 O\n0.750000 0.678362 0.556794 O\n0.250000 0.321638 0.443206 O\n0.012797 0.417393 0.807492 O\n0.512797 0.582607 0.192508 O\n0.987203 0.582607 0.192508 O\n0.487203 0.417393 0.807492 O\n0.017163 0.887554 0.758923 O\n0.517163 0.112446 0.241077 O\n0.982837 0.112446 0.241077 O\n0.482837 0.887554 0.758923 O\n0.750000 0.122015 0.132350 O\n0.250000 0.877985 0.867650 O\n",
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{
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{
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{
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"structure_string": "Ba2 Pr4 Zn2 S10\n1.0\n-3.980319 3.980319 6.872709\n3.980319 -3.980319 6.872709\n3.980319 3.980319 -6.872709\nBa Pr Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.000000 Ba\n0.750000 0.750000 0.000000 Ba\n0.337767 0.162233 0.500000 Pr\n0.162233 0.662233 0.824466 Pr\n0.837767 0.337767 0.175534 Pr\n0.662233 0.837767 0.500000 Pr\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.485504 0.985504 0.202647 S\n0.217143 0.717143 0.202647 S\n0.514496 0.014496 0.797353 S\n0.014496 0.217143 0.500000 S\n0.717143 0.514496 0.500000 S\n0.985504 0.782857 0.500000 S\n0.282857 0.485504 0.500000 S\n0.782857 0.282857 0.797353 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
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{
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"structure_string": "Ba2 Pr4 Ti6 O20\n1.0\n1.967133 -14.330994 0.000000\n1.967133 14.330994 0.000000\n0.000000 0.000000 7.704642\nBa Pr Ti O\n2 4 6 20\ndirect\n0.740665 0.259335 0.250000 Ba\n0.259335 0.740665 0.750000 Ba\n0.427417 0.572583 0.750000 Pr\n0.572583 0.427417 0.250000 Pr\n0.579572 0.420428 0.750000 Pr\n0.420428 0.579572 0.250000 Pr\n0.854203 0.145797 0.995849 Ti\n0.145797 0.854203 0.004151 Ti\n0.854203 0.145797 0.504151 Ti\n0.000000 0.000000 0.000000 Ti\n0.145797 0.854203 0.495849 Ti\n0.000000 0.000000 0.500000 Ti\n0.206835 0.793165 0.042650 O\n0.793165 0.206835 0.957350 O\n0.630964 0.369036 0.492858 O\n0.016025 0.983975 0.250000 O\n0.933680 0.066320 0.049571 O\n0.369036 0.630964 0.507142 O\n0.983975 0.016025 0.750000 O\n0.123234 0.876766 0.250000 O\n0.793165 0.206835 0.542650 O\n0.500000 0.500000 0.000000 O\n0.369036 0.630964 0.992858 O\n0.066320 0.933680 0.549571 O\n0.630964 0.369036 0.007142 O\n0.933680 0.066320 0.450429 O\n0.206835 0.793165 0.457350 O\n0.066320 0.933680 0.950429 O\n0.855347 0.144653 0.250000 O\n0.876766 0.123234 0.750000 O\n0.500000 0.500000 0.500000 O\n0.144653 0.855347 0.750000 O\n",
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"formula_full": "Ba2 Pr4 Ti6 O20",
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]
}