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{
"id": "mp-559405",
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{
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{
"id": "mp-84",
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"structure_string": "Sn2\n1.0\n-2.954004 2.954004 1.622811\n2.954004 -2.954004 1.622811\n2.954004 2.954004 -1.622811\nSn\n2\ndirect\n0.250000 0.750000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
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},
{
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"created_at": "2022-09-04T14:40:58.833543Z",
"structure_string": "Tm6 Ge6 Pd6\n1.0\n-2.205425 3.792755 10.351126\n2.205425 -3.792755 10.351126\n2.205425 3.792755 -10.351126\nTm Ge Pd\n6 6 6\ndirect\n0.467003 0.000000 0.467003 Tm\n0.132032 0.667182 0.464850 Tm\n0.797668 0.332818 0.464850 Tm\n0.048219 0.500000 0.548219 Tm\n0.376482 0.833575 0.542908 Tm\n0.709333 0.166425 0.542908 Tm\n0.437118 0.592820 0.844298 Ge\n0.251479 0.407181 0.844298 Ge\n0.923584 0.763030 0.160554 Ge\n0.397523 0.236970 0.160554 Ge\n0.781490 0.934857 0.846633 Ge\n0.911776 0.065143 0.846633 Ge\n0.750994 0.572723 0.178271 Pd\n0.605548 0.427277 0.178271 Pd\n0.563068 0.731464 0.831605 Pd\n0.100141 0.268536 0.831605 Pd\n0.070161 0.894891 0.175270 Pd\n0.280380 0.105109 0.175270 Pd\n",
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{
"id": "mp-1206820",
"created_at": "2022-09-04T14:41:01.715123Z",
"structure_string": "Ho1 Ru3 C1\n1.0\n4.154302 0.000000 0.000000\n0.000000 4.154302 0.000000\n0.000000 0.000000 4.154302\nHo Ru C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 C\n",
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"updated_at": "2021-11-28T01:34:57.882000Z",
"spacegroup": 221
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{
"id": "mp-1245489",
"created_at": "2022-09-04T14:41:01.757646Z",
"structure_string": "Mn4 Pt4 N8\n1.0\n5.166308 0.000000 0.000000\n0.000000 6.154400 0.000000\n0.000000 0.000000 5.572761\nMn Pt N\n4 4 8\ndirect\n0.577892 0.898594 0.970110 Mn\n0.422108 0.101406 0.470110 Mn\n0.922108 0.398594 0.470110 Mn\n0.077892 0.601406 0.970110 Mn\n0.620059 0.347048 0.039913 Pt\n0.379941 0.652953 0.539913 Pt\n0.879941 0.847047 0.539913 Pt\n0.120059 0.152952 0.039913 Pt\n0.577747 0.882767 0.299848 N\n0.422253 0.117233 0.799848 N\n0.922253 0.382767 0.799848 N\n0.077747 0.617233 0.299848 N\n0.578147 0.365554 0.412127 N\n0.421853 0.634446 0.912127 N\n0.921853 0.865554 0.912127 N\n0.078147 0.134446 0.412127 N\n",
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"volume": 177.1888670176263,
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"formula_full": "Mn4 Pt4 N8",
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{
"id": "mp-1212855",
"created_at": "2022-09-04T14:40:58.828611Z",
"structure_string": "Fe6 P6 O30\n1.0\n5.321339 6.654584 0.000000\n-5.321339 6.654584 0.000000\n0.000000 2.800273 8.743663\nFe P O\n6 6 30\ndirect\n0.776364 0.223636 0.250000 Fe\n0.223636 0.776364 0.750000 Fe\n0.396742 0.247836 0.069113 Fe\n0.603258 0.752164 0.930887 Fe\n0.752164 0.603258 0.430887 Fe\n0.247836 0.396742 0.569113 Fe\n0.659526 0.921058 0.175506 P\n0.340474 0.078942 0.824494 P\n0.078942 0.340474 0.324494 P\n0.921058 0.659526 0.675506 P\n0.512814 0.487186 0.250000 P\n0.487186 0.512814 0.750000 P\n0.791977 0.020151 0.184369 O\n0.208023 0.979849 0.815631 O\n0.979849 0.208023 0.315631 O\n0.020151 0.791977 0.684369 O\n0.139479 0.860521 0.250000 O\n0.860521 0.139479 0.750000 O\n0.732695 0.834142 0.039765 O\n0.267305 0.165858 0.960235 O\n0.165858 0.267305 0.460235 O\n0.834142 0.732695 0.539765 O\n0.631268 0.795878 0.327197 O\n0.368732 0.204122 0.672803 O\n0.204122 0.368732 0.172803 O\n0.795878 0.631268 0.827197 O\n0.489215 0.629700 0.115323 O\n0.510785 0.370300 0.884677 O\n0.370300 0.510785 0.384677 O\n0.629700 0.489215 0.615323 O\n0.702927 0.116345 0.442453 O\n0.297073 0.883655 0.557547 O\n0.883655 0.297073 0.057547 O\n0.116345 0.702927 0.942453 O\n0.494918 0.032558 0.155869 O\n0.505082 0.967442 0.844131 O\n0.967442 0.505082 0.344131 O\n0.032558 0.494918 0.655869 O\n0.536868 0.317762 0.199536 O\n0.463132 0.682238 0.800464 O\n0.682238 0.463132 0.300464 O\n0.317762 0.536868 0.699536 O\n",
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{
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{
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{
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{
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{
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"formula_full": "Hf1 Sn1 Rh2",
"formula_reduced": "HfSnRh2",
"formula_anonymous": "ABC2",
"energy": -31.77951728,
"energy_per_atom": -7.94487932,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.77951728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.726000Z",
"spacegroup": 225
}
]
}