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{
"id": "mp-23778",
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{
"id": "mp-1018824",
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{
"id": "mp-557310",
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{
"id": "mp-570179",
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"structure_string": "Tb1 Au2\n1.0\n-1.882974 1.882974 4.557767\n1.882974 -1.882974 4.557767\n1.882974 1.882974 -4.557767\nTb Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.665652 0.665652 0.000000 Au\n0.334348 0.334348 0.000000 Au\n",
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{
"id": "mp-1198700",
"created_at": "2022-09-04T14:48:17.400678Z",
"structure_string": "Tb42 Ir28\n1.0\n-5.665650 5.665650 12.656462\n5.665650 -5.665650 12.656462\n5.665650 5.665650 -12.656462\nTb Ir\n42 28\ndirect\n0.632366 0.503101 0.279276 Tb\n0.223825 0.353089 0.720724 Tb\n0.132366 0.853089 0.129264 Tb\n0.723825 0.003101 0.870736 Tb\n0.353089 0.632366 0.129264 Tb\n0.503101 0.223825 0.870736 Tb\n0.003101 0.132366 0.279276 Tb\n0.853089 0.723825 0.720724 Tb\n0.367634 0.496899 0.720724 Tb\n0.776175 0.646911 0.279276 Tb\n0.867634 0.146911 0.870736 Tb\n0.276175 0.996899 0.129264 Tb\n0.646911 0.367634 0.870736 Tb\n0.496899 0.776175 0.129264 Tb\n0.996899 0.867634 0.720724 Tb\n0.146911 0.276175 0.279276 Tb\n0.385864 0.517029 0.290519 Tb\n0.226510 0.095345 0.709481 Tb\n0.885864 0.595345 0.868835 Tb\n0.726510 0.017029 0.131165 Tb\n0.095345 0.385864 0.868835 Tb\n0.517029 0.226510 0.131165 Tb\n0.017029 0.885864 0.290519 Tb\n0.595345 0.726510 0.709481 Tb\n0.614136 0.482971 0.709481 Tb\n0.773490 0.904655 0.290519 Tb\n0.114136 0.404655 0.131165 Tb\n0.273490 0.982971 0.868835 Tb\n0.904655 0.614136 0.131165 Tb\n0.482971 0.773490 0.868835 Tb\n0.982971 0.114136 0.709481 Tb\n0.404655 0.273490 0.290519 Tb\n0.850855 0.350855 0.201710 Tb\n0.149145 0.649145 0.798290 Tb\n0.350855 0.149145 0.500000 Tb\n0.649145 0.850855 0.500000 Tb\n0.387387 0.887387 0.500000 Tb\n0.887387 0.387387 0.500000 Tb\n0.612613 0.112613 0.500000 Tb\n0.112613 0.612613 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.750000 0.250000 0.500000 Tb\n0.714999 0.214999 0.141895 Ir\n0.073104 0.573104 0.858105 Ir\n0.214999 0.073104 0.500000 Ir\n0.573104 0.714999 0.500000 Ir\n0.285001 0.785001 0.858105 Ir\n0.926896 0.426896 0.141895 Ir\n0.785001 0.926896 0.500000 Ir\n0.426896 0.285001 0.500000 Ir\n0.464872 0.964872 0.806791 Ir\n0.158081 0.658081 0.193209 Ir\n0.964872 0.158081 0.500000 Ir\n0.658081 0.464872 0.500000 Ir\n0.535128 0.035128 0.193209 Ir\n0.841919 0.341919 0.806791 Ir\n0.035128 0.841919 0.500000 Ir\n0.341919 0.535128 0.500000 Ir\n0.597880 0.097880 0.695760 Ir\n0.402120 0.902120 0.304240 Ir\n0.097880 0.402120 0.500000 Ir\n0.902120 0.597880 0.500000 Ir\n0.366009 0.366009 0.000000 Ir\n0.866009 0.866009 0.000000 Ir\n0.633991 0.633991 0.000000 Ir\n0.133991 0.133991 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.750000 0.750000 0.000000 Ir\n",
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"spacegroup": 140
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{
"id": "mp-1207777",
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"structure_string": "Y12 Pd4\n1.0\n6.527969 0.000000 0.000000\n0.000000 7.088521 0.000000\n0.000000 0.000000 9.730905\nY Pd\n12 4\ndirect\n0.636676 0.025569 0.250000 Y\n0.363324 0.974431 0.750000 Y\n0.136676 0.474431 0.750000 Y\n0.863324 0.525569 0.250000 Y\n0.172578 0.181351 0.059339 Y\n0.827422 0.818649 0.940661 Y\n0.672578 0.318649 0.940661 Y\n0.827422 0.818649 0.559339 Y\n0.327422 0.681351 0.059339 Y\n0.172578 0.181351 0.440661 Y\n0.327422 0.681351 0.440661 Y\n0.672578 0.318649 0.559339 Y\n0.436615 0.388554 0.250000 Pd\n0.563385 0.611446 0.750000 Pd\n0.936615 0.111446 0.750000 Pd\n0.063385 0.888554 0.250000 Pd\n",
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"density": 5.504160610762804,
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{
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{
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{
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"structure_string": "Pu1 Cu2 Si2\n1.0\n-1.991704 1.991704 5.001169\n1.991704 -1.991704 5.001169\n1.991704 1.991704 -5.001169\nPu Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.617671 0.617671 0.000000 Si\n0.382329 0.382329 0.000000 Si\n",
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{
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{
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"structure_string": "Y3 Sn1 C1\n1.0\n4.899888 0.000000 0.000000\n0.000000 4.899888 0.000000\n0.000000 0.000000 4.899888\nY Sn C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 C\n",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.92626164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012204,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.097000Z",
"spacegroup": 221
},
{
"id": "mp-1106092",
"created_at": "2022-09-04T14:48:17.345878Z",
"structure_string": "Sr14 Ag6\n1.0\n5.667694 -9.816734 0.000000\n5.667694 9.816734 0.000000\n0.000000 0.000000 7.350130\nSr Ag\n14 6\ndirect\n0.666667 0.333333 0.551232 Sr\n0.333333 0.666667 0.051232 Sr\n0.874473 0.748947 0.752273 Sr\n0.251053 0.125527 0.752273 Sr\n0.874473 0.125527 0.752273 Sr\n0.125527 0.251053 0.252273 Sr\n0.748947 0.874473 0.252273 Sr\n0.125527 0.874473 0.252273 Sr\n0.458444 0.916887 0.561598 Sr\n0.083113 0.541556 0.561598 Sr\n0.458444 0.541556 0.561598 Sr\n0.541556 0.083113 0.061598 Sr\n0.916887 0.458444 0.061598 Sr\n0.541556 0.458444 0.061598 Sr\n0.188408 0.376817 0.831026 Ag\n0.623183 0.811592 0.831026 Ag\n0.188408 0.811592 0.831026 Ag\n0.811592 0.623183 0.331026 Ag\n0.376817 0.188408 0.331026 Ag\n0.811592 0.188408 0.331026 Ag\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sr",
"Ag"
],
"chemical_system": "Ag-Sr",
"density": 3.8044735734679547,
"density_atomic": 0.024452967000441438,
"volume": 817.896658497063,
"volume_molar": 24.627444023014817,
"formula_full": "Sr14 Ag6",
"formula_reduced": "Sr7Ag3",
"formula_anonymous": "A3B7",
"energy": -44.86255478,
"energy_per_atom": -2.243127739,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -44.86255478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1035679,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:48.325000Z",
"spacegroup": 186
}
]
}