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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:39:21.040266Z",
"structure_string": "Ho8 Os4 C8\n1.0\n5.104789 0.000000 0.000000\n0.000000 6.421407 0.000000\n0.000000 0.000000 9.781359\nHo Os C\n8 4 8\ndirect\n0.250000 0.685099 0.552622 Ho\n0.750000 0.314901 0.447378 Ho\n0.750000 0.814901 0.052622 Ho\n0.250000 0.185099 0.947378 Ho\n0.250000 0.523536 0.220879 Ho\n0.750000 0.476464 0.779121 Ho\n0.750000 0.976464 0.720879 Ho\n0.250000 0.023536 0.279121 Ho\n0.250000 0.726640 0.865336 Os\n0.750000 0.273360 0.134664 Os\n0.750000 0.773360 0.365336 Os\n0.250000 0.226640 0.634664 Os\n0.250000 0.463035 0.757747 C\n0.750000 0.536965 0.242253 C\n0.750000 0.036965 0.257747 C\n0.250000 0.963035 0.742253 C\n0.250000 0.823866 0.054102 C\n0.750000 0.176134 0.945898 C\n0.750000 0.676134 0.554102 C\n0.250000 0.323866 0.445898 C\n",
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{
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"structure_string": "La2 Tl4 P4 S14\n1.0\n3.377339 10.479404 0.000000\n-3.377339 10.479404 0.000000\n0.000000 2.985618 8.940935\nLa Tl P S\n2 4 4 14\ndirect\n0.347397 0.347397 0.838355 La\n0.652603 0.652603 0.161645 La\n0.010029 0.010029 0.746762 Tl\n0.989971 0.989971 0.253238 Tl\n0.313262 0.313262 0.326737 Tl\n0.686738 0.686738 0.673263 Tl\n0.453948 0.453948 0.466097 P\n0.546052 0.546052 0.533903 P\n0.164835 0.164835 0.931326 P\n0.835165 0.835165 0.068674 P\n0.510773 0.510773 0.759771 S\n0.489227 0.489227 0.240229 S\n0.233686 0.233686 0.721228 S\n0.766314 0.766314 0.278772 S\n0.845016 0.353258 0.439647 S\n0.353258 0.845016 0.439647 S\n0.154984 0.646742 0.560353 S\n0.646742 0.154984 0.560353 S\n0.860382 0.346923 0.958841 S\n0.346923 0.860382 0.958841 S\n0.139618 0.653077 0.041159 S\n0.653077 0.139618 0.041159 S\n0.786510 0.786510 0.908946 S\n0.213490 0.213490 0.091054 S\n",
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{
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},
{
"id": "mp-1218839",
"created_at": "2022-09-04T14:39:21.252903Z",
"structure_string": "Sr2 Eu1 Ta1 Cu2 O8\n1.0\n2.775121 -2.784376 0.000000\n2.775121 2.784376 0.000000\n0.000000 0.000000 11.796913\nSr Eu Ta Cu O\n2 1 1 2 8\ndirect\n0.499489 0.499489 0.798966 Sr\n0.499489 0.499489 0.201034 Sr\n0.500341 0.500341 0.500000 Eu\n0.018937 0.018937 0.000000 Ta\n0.000475 0.000475 0.643970 Cu\n0.000475 0.000475 0.356030 Cu\n0.014964 0.014964 0.832100 O\n0.014964 0.014964 0.167900 O\n0.000243 0.500995 0.632053 O\n0.500995 0.000243 0.632053 O\n0.000243 0.500995 0.367947 O\n0.500995 0.000243 0.367947 O\n0.525562 0.050826 0.000000 O\n0.050826 0.525562 0.000000 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-Eu-O-Sr-Ta",
"density": 6.95186802842682,
"density_atomic": 0.0767926859264554,
"volume": 182.30902892767477,
"volume_molar": 7.842075957295495,
"formula_full": "Sr2 Eu1 Ta1 Cu2 O8",
"formula_reduced": "Sr2EuTa(CuO4)2",
"formula_anonymous": "ABC2D2E8",
"energy": -110.45886634,
"energy_per_atom": -7.889919024285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.96286634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0030459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.478000Z",
"spacegroup": 38
}
]
}