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{
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{
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"structure_string": "U2 Zn40 Co4\n1.0\n0.000000 7.029134 7.029134\n7.029134 0.000000 7.029134\n7.029134 7.029134 0.000000\nU Zn Co\n2 40 4\ndirect\n0.500000 0.500000 0.500000 U\n0.750000 0.750000 0.750000 U\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.863740 0.863740 0.136260 Zn\n0.136260 0.136260 0.863740 Zn\n0.863740 0.136260 0.863740 Zn\n0.136260 0.863740 0.136260 Zn\n0.136260 0.863740 0.863740 Zn\n0.863740 0.136260 0.136260 Zn\n0.386260 0.386260 0.113740 Zn\n0.113740 0.113740 0.386260 Zn\n0.386260 0.113740 0.386260 Zn\n0.113740 0.386260 0.113740 Zn\n0.113740 0.386260 0.386260 Zn\n0.386260 0.113740 0.113740 Zn\n0.568888 0.299850 0.299850 Zn\n0.299850 0.568888 0.831413 Zn\n0.299850 0.831413 0.568888 Zn\n0.831413 0.299850 0.299850 Zn\n0.299850 0.299850 0.568888 Zn\n0.568888 0.831413 0.299850 Zn\n0.831413 0.568888 0.299850 Zn\n0.299850 0.299850 0.831413 Zn\n0.299850 0.568888 0.299850 Zn\n0.831413 0.299850 0.568888 Zn\n0.568888 0.299850 0.831413 Zn\n0.299850 0.831413 0.299850 Zn\n0.681112 0.950150 0.950150 Zn\n0.950150 0.681112 0.418587 Zn\n0.950150 0.418587 0.681112 Zn\n0.418587 0.950150 0.950150 Zn\n0.950150 0.950150 0.681112 Zn\n0.681112 0.418587 0.950150 Zn\n0.418587 0.681112 0.950150 Zn\n0.950150 0.950150 0.418587 Zn\n0.950150 0.681112 0.950150 Zn\n0.418587 0.950150 0.681112 Zn\n0.681112 0.950150 0.418587 Zn\n0.950150 0.418587 0.950150 Zn\n0.625000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.125000 0.125000 0.125000 Co\n",
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{
"id": "mp-1209065",
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"structure_string": "Sr2 Ca6 Lu18 O36\n1.0\n8.664176 -15.006792 0.000000\n8.664176 15.006792 0.000000\n0.000000 0.000000 3.323549\nSr Ca Lu O\n2 6 18 36\ndirect\n0.666667 0.333333 0.030513 Sr\n0.333333 0.666667 0.530513 Sr\n0.002145 0.329264 0.749207 Ca\n0.327119 0.997855 0.749207 Ca\n0.997855 0.670736 0.249207 Ca\n0.670736 0.672881 0.749207 Ca\n0.672881 0.002145 0.249207 Ca\n0.329264 0.327119 0.249207 Ca\n0.783808 0.219017 0.742666 Lu\n0.435209 0.216192 0.742666 Lu\n0.216192 0.780983 0.242666 Lu\n0.780983 0.564791 0.742666 Lu\n0.564791 0.783808 0.242666 Lu\n0.219017 0.435209 0.242666 Lu\n0.770599 0.886891 0.748844 Lu\n0.116292 0.229401 0.748844 Lu\n0.229401 0.113109 0.248844 Lu\n0.113109 0.883708 0.748844 Lu\n0.883708 0.770599 0.248844 Lu\n0.886891 0.116292 0.248844 Lu\n0.449973 0.552189 0.756101 Lu\n0.102216 0.550027 0.756101 Lu\n0.550027 0.447811 0.256101 Lu\n0.447811 0.897784 0.756101 Lu\n0.897784 0.449973 0.256101 Lu\n0.552189 0.102216 0.256101 Lu\n0.498326 0.694290 0.742714 O\n0.195964 0.501674 0.742714 O\n0.501674 0.305710 0.242714 O\n0.305710 0.804036 0.742714 O\n0.804036 0.498326 0.242714 O\n0.694290 0.195964 0.242714 O\n0.780793 0.091102 0.748293 O\n0.310310 0.219207 0.748293 O\n0.219207 0.908898 0.248293 O\n0.908898 0.689690 0.748293 O\n0.689690 0.780793 0.248293 O\n0.091102 0.310310 0.248293 O\n0.974007 0.551573 0.751908 O\n0.577566 0.025993 0.751908 O\n0.025993 0.448427 0.251908 O\n0.448427 0.422434 0.751908 O\n0.422434 0.974007 0.251908 O\n0.551573 0.577566 0.251908 O\n0.637803 0.885785 0.747234 O\n0.247983 0.362197 0.747234 O\n0.362197 0.114215 0.247234 O\n0.114215 0.752017 0.747234 O\n0.752017 0.637803 0.247234 O\n0.885785 0.247983 0.247234 O\n0.974268 0.154465 0.748940 O\n0.180198 0.025732 0.748940 O\n0.025732 0.845535 0.248940 O\n0.845535 0.819802 0.748940 O\n0.819802 0.974268 0.248940 O\n0.154465 0.180198 0.248940 O\n0.821004 0.361082 0.753922 O\n0.540077 0.178996 0.753922 O\n0.178996 0.638918 0.253922 O\n0.638918 0.459923 0.753922 O\n0.459923 0.821004 0.253922 O\n0.361082 0.540077 0.253922 O\n",
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{
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"N"
],
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"density": 7.957176262395212,
"density_atomic": 0.04608759665052885,
"volume": 390.5606130102567,
"volume_molar": 13.066727704775849,
"formula_full": "V2 Pb8 N8",
"formula_reduced": "V(PbN)4",
"formula_anonymous": "AB4C4",
"energy": -114.40007963,
"energy_per_atom": -6.355559979444444,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.51207963,
"band_gap": 0.0008999999999996,
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"is_magnetic": false,
"total_magnetization": 0.0013812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.940000Z",
"spacegroup": 2
},
{
"id": "mp-1185609",
"created_at": "2022-09-04T14:41:31.387413Z",
"structure_string": "Li1 Gd2 Rh1\n1.0\n0.000000 3.537736 3.537736\n3.537736 0.000000 3.537736\n3.537736 3.537736 0.000000\nLi Gd Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Gd",
"Rh"
],
"chemical_system": "Gd-Li-Rh",
"density": 7.95725843570546,
"density_atomic": 0.04517037881078385,
"volume": 88.5536075921739,
"volume_molar": 13.332057243146899,
"formula_full": "Li1 Gd2 Rh1",
"formula_reduced": "LiGd2Rh",
"formula_anonymous": "ABC2",
"energy": -29.08748938,
"energy_per_atom": -7.271872345,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -29.08748938,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.8820757,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.940000Z",
"spacegroup": 225
}
]
}