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{
"id": "mp-1025399",
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{
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{
"id": "mp-1191960",
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"structure_string": "Zr16 Pt8\n1.0\n0.000000 6.314770 6.314770\n6.314770 0.000000 6.314770\n6.314770 6.314770 0.000000\nZr Pt\n16 8\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.812073 0.812073 0.187927 Zr\n0.187927 0.187927 0.812073 Zr\n0.812073 0.187927 0.812073 Zr\n0.187927 0.812073 0.187927 Zr\n0.187927 0.812073 0.812073 Zr\n0.812073 0.187927 0.187927 Zr\n0.437927 0.437927 0.062073 Zr\n0.062073 0.062073 0.437927 Zr\n0.437927 0.062073 0.437927 Zr\n0.062073 0.437927 0.062073 Zr\n0.062073 0.437927 0.437927 Zr\n0.437927 0.062073 0.062073 Zr\n0.784806 0.405065 0.405065 Pt\n0.405065 0.784806 0.405065 Pt\n0.405065 0.405065 0.784806 Pt\n0.405065 0.405065 0.405065 Pt\n0.465194 0.844935 0.844935 Pt\n0.844935 0.465194 0.844935 Pt\n0.844935 0.844935 0.465194 Pt\n0.844935 0.844935 0.844935 Pt\n",
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{
"id": "mp-1193188",
"created_at": "2022-09-04T14:41:18.596341Z",
"structure_string": "Hf6 Ga16 Co7\n1.0\n0.000000 6.006379 6.006379\n6.006379 0.000000 6.006379\n6.006379 6.006379 0.000000\nHf Ga Co\n6 16 7\ndirect\n0.695101 0.695101 0.304899 Hf\n0.304899 0.695101 0.304899 Hf\n0.695101 0.304899 0.304899 Hf\n0.304899 0.304899 0.695101 Hf\n0.695101 0.304899 0.695101 Hf\n0.304899 0.695101 0.695101 Hf\n0.879361 0.879361 0.361916 Ga\n0.879361 0.361916 0.879361 Ga\n0.361916 0.879361 0.879361 Ga\n0.879361 0.879361 0.879361 Ga\n0.120639 0.120639 0.638084 Ga\n0.120639 0.638084 0.120639 Ga\n0.638084 0.120639 0.120639 Ga\n0.120639 0.120639 0.120639 Ga\n0.660010 0.660010 0.019969 Ga\n0.660010 0.019969 0.660010 Ga\n0.019969 0.660010 0.660010 Ga\n0.660010 0.660010 0.660010 Ga\n0.339990 0.339990 0.980031 Ga\n0.339990 0.980031 0.339990 Ga\n0.980031 0.339990 0.339990 Ga\n0.339990 0.339990 0.339990 Ga\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n",
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{
"id": "mp-1702",
"created_at": "2022-09-04T14:46:06.373477Z",
"structure_string": "La2 Rh4\n1.0\n0.000000 3.859119 3.859119\n3.859119 0.000000 3.859119\n3.859119 3.859119 0.000000\nLa Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
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{
"id": "mp-29068",
"created_at": "2022-09-04T14:41:48.555688Z",
"structure_string": "Hf20 Fe4 Te12\n1.0\n3.670739 0.000000 0.000000\n0.000000 13.377948 0.000000\n0.000000 0.000000 18.077083\nHf Fe Te\n20 4 12\ndirect\n0.250000 0.640490 0.243212 Hf\n0.750000 0.359510 0.756788 Hf\n0.750000 0.140490 0.256788 Hf\n0.250000 0.859510 0.743212 Hf\n0.250000 0.570132 0.957216 Hf\n0.750000 0.429868 0.042784 Hf\n0.750000 0.070132 0.542784 Hf\n0.250000 0.929868 0.457216 Hf\n0.750000 0.849926 0.589110 Hf\n0.250000 0.150074 0.410890 Hf\n0.250000 0.349926 0.910890 Hf\n0.750000 0.650074 0.089110 Hf\n0.250000 0.225483 0.622671 Hf\n0.750000 0.774517 0.377329 Hf\n0.750000 0.725483 0.877329 Hf\n0.250000 0.274517 0.122671 Hf\n0.250000 0.559731 0.789730 Hf\n0.750000 0.440269 0.210270 Hf\n0.750000 0.059731 0.710270 Hf\n0.250000 0.940269 0.289730 Hf\n0.250000 0.522437 0.129889 Fe\n0.750000 0.477563 0.870111 Fe\n0.750000 0.022437 0.370111 Fe\n0.250000 0.977563 0.629889 Fe\n0.250000 0.443253 0.648240 Te\n0.750000 0.556747 0.351760 Te\n0.750000 0.943253 0.851760 Te\n0.250000 0.056747 0.148240 Te\n0.750000 0.693767 0.706379 Te\n0.250000 0.306233 0.293621 Te\n0.250000 0.193767 0.793621 Te\n0.750000 0.806233 0.206379 Te\n0.250000 0.786200 0.000624 Te\n0.750000 0.213800 0.999376 Te\n0.750000 0.286200 0.499376 Te\n0.250000 0.713800 0.500624 Te\n",
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{
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"structure_string": "U4 B16 Mo4\n1.0\n3.677427 0.000000 0.000000\n0.000000 5.934414 0.000000\n0.000000 0.000000 11.526558\nU B Mo\n4 16 4\ndirect\n0.000000 0.128410 0.650331 U\n0.000000 0.871590 0.349669 U\n0.000000 0.628410 0.849669 U\n0.000000 0.371590 0.150331 U\n0.500000 0.476387 0.693358 B\n0.500000 0.523613 0.306642 B\n0.500000 0.976387 0.806642 B\n0.500000 0.023613 0.193358 B\n0.500000 0.292289 0.812181 B\n0.500000 0.707711 0.187819 B\n0.500000 0.792289 0.687819 B\n0.500000 0.207711 0.312181 B\n0.500000 0.367491 0.968063 B\n0.500000 0.632509 0.031937 B\n0.500000 0.867491 0.531937 B\n0.500000 0.132509 0.468063 B\n0.500000 0.385455 0.547162 B\n0.500000 0.614545 0.452838 B\n0.500000 0.885455 0.952838 B\n0.500000 0.114545 0.047162 B\n0.000000 0.137756 0.908222 Mo\n0.000000 0.862244 0.091778 Mo\n0.000000 0.637756 0.591778 Mo\n0.000000 0.362244 0.408222 Mo\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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"energy_per_atom": -7.37012448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48049792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9648135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.348000Z",
"spacegroup": 225
}
]
}