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{
"id": "mp-1025986",
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{
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{
"id": "mp-1078582",
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"structure_string": "U3 In3 Pt3\n1.0\n3.694987 -6.399906 0.000000\n3.694987 6.399906 0.000000\n0.000000 0.000000 4.185283\nU In Pt\n3 3 3\ndirect\n0.000000 0.417640 0.500000 U\n0.582360 0.582360 0.500000 U\n0.417640 0.000000 0.500000 U\n0.000000 0.749319 0.000000 In\n0.250681 0.250681 0.000000 In\n0.749319 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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},
{
"id": "mp-1114110",
"created_at": "2022-09-04T14:40:15.028949Z",
"structure_string": "Rb3 Au1 Br6\n1.0\n0.000000 5.902348 5.902348\n5.902348 0.000000 5.902348\n5.902348 5.902348 0.000000\nRb Au Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.774370 0.225630 0.225630 Br\n0.225630 0.225630 0.774370 Br\n0.225630 0.774370 0.774370 Br\n0.225630 0.774370 0.225630 Br\n0.774370 0.225630 0.774370 Br\n0.774370 0.774370 0.225630 Br\n",
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{
"id": "mp-12418",
"created_at": "2022-09-04T14:40:15.030828Z",
"structure_string": "Sr4 Ca4 Ge4\n1.0\n4.969256 0.000000 0.000000\n0.000000 8.156003 0.000000\n0.000000 0.000000 9.207337\nSr Ca Ge\n4 4 4\ndirect\n0.250000 0.521974 0.178268 Sr\n0.250000 0.021974 0.321732 Sr\n0.750000 0.978026 0.678268 Sr\n0.750000 0.478026 0.821732 Sr\n0.750000 0.852586 0.073208 Ca\n0.250000 0.147414 0.926792 Ca\n0.750000 0.352586 0.426792 Ca\n0.250000 0.647414 0.573208 Ca\n0.750000 0.233201 0.106481 Ge\n0.250000 0.266799 0.606481 Ge\n0.250000 0.766799 0.893519 Ge\n0.750000 0.733201 0.393519 Ge\n",
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"formula_full": "Sr4 Ca4 Ge4",
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"spacegroup": 62
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{
"id": "mp-568066",
"created_at": "2022-09-04T14:40:15.392248Z",
"structure_string": "Pr4 C2 Br2\n1.0\n1.924774 -3.333807 0.000000\n1.924774 3.333807 0.000000\n0.000000 0.000000 15.055857\nPr C Br\n4 2 2\ndirect\n0.333333 0.666667 0.092110 Pr\n0.666667 0.333333 0.592110 Pr\n0.666667 0.333333 0.907890 Pr\n0.333333 0.666667 0.407890 Pr\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.250000 Br\n0.333333 0.666667 0.750000 Br\n",
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{
"id": "mp-1216761",
"created_at": "2022-09-04T14:40:15.044483Z",
"structure_string": "Ti2 V2 S4\n1.0\n3.318112 0.000000 0.000000\n0.000000 5.845528 0.000000\n0.000000 0.000000 5.974421\nTi V S\n2 2 4\ndirect\n0.000000 0.058961 0.508928 Ti\n0.000000 0.941039 0.008928 Ti\n0.500000 0.442132 0.485434 V\n0.500000 0.557868 0.985434 V\n0.000000 0.663706 0.719382 S\n0.000000 0.336294 0.219382 S\n0.500000 0.820727 0.286256 S\n0.500000 0.179273 0.786256 S\n",
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{
"id": "mp-9478",
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"structure_string": "Ba2 Si8 O18\n1.0\n3.289705 -5.697936 0.000000\n3.289705 5.697936 0.000000\n0.000000 0.000000 9.469988\nBa Si O\n2 8 18\ndirect\n0.666667 0.333333 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.089152 0.788699 0.750000 Si\n0.211301 0.300453 0.750000 Si\n0.699547 0.910848 0.750000 Si\n0.699547 0.788699 0.250000 Si\n0.211301 0.910848 0.250000 Si\n0.089152 0.300453 0.250000 Si\n0.333333 0.666667 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.556895 0.893874 0.606940 O\n0.106126 0.443105 0.393060 O\n0.106126 0.663021 0.606940 O\n0.336979 0.443105 0.606940 O\n0.106126 0.663021 0.893060 O\n0.336979 0.443105 0.893060 O\n0.556895 0.893874 0.893060 O\n0.336979 0.893874 0.106940 O\n0.556895 0.663021 0.106940 O\n0.556895 0.663021 0.393060 O\n0.922649 0.735657 0.250000 O\n0.813008 0.077351 0.250000 O\n0.264343 0.186992 0.250000 O\n0.264343 0.077351 0.750000 O\n0.813008 0.735657 0.750000 O\n0.922649 0.186992 0.750000 O\n0.106126 0.443105 0.106940 O\n0.336979 0.893874 0.393060 O\n",
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{
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"structure_string": "Rb2 Hf1 F6\n1.0\n3.111686 -5.389598 0.000000\n3.111686 5.389598 0.000000\n0.000000 0.000000 4.925769\nRb Hf F\n2 1 6\ndirect\n0.333333 0.666667 0.687681 Rb\n0.666667 0.333333 0.312319 Rb\n0.000000 0.000000 0.000000 Hf\n0.844271 0.155729 0.774441 F\n0.844271 0.688542 0.774441 F\n0.311458 0.155729 0.774441 F\n0.155729 0.844271 0.225559 F\n0.155729 0.311458 0.225559 F\n0.688542 0.844271 0.225559 F\n",
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{
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{
"id": "mp-782664",
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"structure_string": "Ti6 Mn2 O16\n1.0\n5.937341 0.000003 0.000012\n-2.968668 5.141880 -0.000025\n0.000013 -0.000020 8.913214\nTi Mn O\n6 2 16\ndirect\n0.166500 0.833500 0.206251 Ti\n0.166517 0.333026 0.206242 Ti\n0.666992 0.833511 0.206249 Ti\n0.333002 0.166516 0.706246 Ti\n0.833503 0.667005 0.706248 Ti\n0.833485 0.166505 0.706239 Ti\n0.333334 0.666675 0.482298 Mn\n0.666669 0.333343 0.982282 Mn\n0.172989 0.827016 0.605951 O\n0.053119 0.526568 0.343444 O\n0.333341 0.666672 0.096004 O\n0.000002 0.000011 0.312640 O\n0.999997 0.000008 0.812640 O\n0.172989 0.345993 0.605952 O\n0.473439 0.946890 0.343446 O\n0.473441 0.526568 0.343445 O\n0.345980 0.172991 0.105947 O\n0.654018 0.827010 0.605948 O\n0.526559 0.473453 0.843449 O\n0.526557 0.053125 0.843448 O\n0.666659 0.333331 0.596004 O\n0.827012 0.654029 0.105950 O\n0.946884 0.473451 0.843447 O\n0.827012 0.173004 0.105951 O\n",
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{
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}