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{
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{
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{
"id": "mp-1218219",
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"structure_string": "Sr4 Nd4 Co4 Ru4 O24\n1.0\n7.776141 -0.005583 0.000000\n-0.005666 7.843128 0.000000\n0.000000 0.000000 8.032774\nSr Nd Co Ru O\n4 4 4 4 24\ndirect\n0.250000 0.250000 0.249775 Sr\n0.750000 0.750000 0.750225 Sr\n0.250000 0.750000 0.726394 Sr\n0.750000 0.250000 0.273606 Sr\n0.250000 0.750000 0.224009 Nd\n0.750000 0.250000 0.775991 Nd\n0.750000 0.750000 0.254046 Nd\n0.250000 0.250000 0.745954 Nd\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n0.550786 0.244697 0.538460 O\n0.949214 0.255303 0.538460 O\n0.747351 0.450620 0.019280 O\n0.752649 0.049380 0.019280 O\n0.449214 0.755303 0.461540 O\n0.050786 0.744697 0.461540 O\n0.252649 0.549380 0.980720 O\n0.247351 0.950620 0.980720 O\n0.474745 0.023765 0.258186 O\n0.025255 0.476235 0.258186 O\n0.529711 0.512746 0.756252 O\n0.970289 0.987254 0.756252 O\n0.525255 0.976235 0.741814 O\n0.974745 0.523765 0.741814 O\n0.470289 0.487254 0.243748 O\n0.029711 0.012746 0.243748 O\n0.249664 0.047764 0.533658 O\n0.250336 0.452236 0.533658 O\n0.541726 0.749686 0.038173 O\n0.958274 0.750314 0.038173 O\n0.750336 0.952236 0.466342 O\n0.749664 0.547764 0.466342 O\n0.458274 0.250314 0.961827 O\n0.041726 0.249686 0.961827 O\n",
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{
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"structure_string": "Sr1 Nd1 Co1 Sb1 O6\n1.0\n0.000000 -4.004393 -4.004393\n4.004393 0.000000 -4.004393\n4.004393 -4.004393 0.000000\nSr Nd Co Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Sb\n0.746418 0.253582 0.253582 O\n0.253582 0.746418 0.746418 O\n0.746418 0.253582 0.746418 O\n0.253582 0.746418 0.253582 O\n0.746418 0.746418 0.253582 O\n0.253582 0.253582 0.746418 O\n",
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{
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"structure_string": "Sr1 Nd1 Cr4 O12\n1.0\n0.000000 3.748636 3.912381\n0.000000 -3.748636 3.912381\n7.429348 0.000000 0.000000\nSr Nd Cr O\n1 1 4 12\ndirect\n0.001089 0.001089 0.000000 Sr\n0.484680 0.484680 0.500000 Nd\n0.484220 0.984466 0.749969 Cr\n0.484220 0.984466 0.250031 Cr\n0.984466 0.484220 0.250031 Cr\n0.984466 0.484220 0.749969 Cr\n0.774892 0.242749 0.741592 O\n0.242749 0.774892 0.741592 O\n0.242749 0.774892 0.258408 O\n0.774892 0.242749 0.258408 O\n0.727812 0.727812 0.717613 O\n0.278549 0.278549 0.772765 O\n0.278549 0.278549 0.227235 O\n0.727812 0.727812 0.282387 O\n0.528958 0.977534 0.000000 O\n0.482764 0.041599 0.500000 O\n0.977534 0.528958 0.000000 O\n0.041599 0.482764 0.500000 O\n",
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{
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"structure_string": "Sr1 Nd1 Cr1 O4\n1.0\n-1.952784 1.952784 6.186874\n1.952784 -1.952784 6.186874\n1.952784 1.952784 -6.186874\nSr Nd Cr O\n1 1 1 4\ndirect\n0.643682 0.643682 0.000000 Sr\n0.361201 0.361201 0.000000 Nd\n0.003247 0.003247 0.000000 Cr\n0.491532 0.991532 0.500000 O\n0.991532 0.491532 0.500000 O\n0.836642 0.836642 0.000000 O\n0.172163 0.172163 0.000000 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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"structure_string": "Sr1 Nd1 Eu1 Nb1 O6\n1.0\n0.000000 -4.305211 -4.305211\n4.305211 0.000000 -4.305211\n4.305211 -4.305211 0.000000\nSr Nd Eu Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Nb\n0.766785 0.233215 0.233215 O\n0.233215 0.766785 0.766785 O\n0.766785 0.233215 0.766785 O\n0.233215 0.766785 0.233215 O\n0.766785 0.766785 0.233215 O\n0.233215 0.233215 0.766785 O\n",
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"elements": [
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"Eu",
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"O"
],
"chemical_system": "Eu-Nb-Nd-O-Sr",
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"density_atomic": 0.06265946473104361,
"volume": 159.59280920964622,
"volume_molar": 9.610903613443138,
"formula_full": "Sr1 Nd1 Eu1 Nb1 O6",
"formula_reduced": "SrNdEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -88.99912740000002,
"energy_per_atom": -8.899912740000001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -84.8771274,
"band_gap": 0.4821,
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"is_magnetic": true,
"total_magnetization": 6.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.601000Z",
"spacegroup": 216
},
{
"id": "mp-1522919",
"created_at": "2022-09-04T14:41:34.532851Z",
"structure_string": "Sr1 Nd1 Eu1 Sb1 O6\n1.0\n0.000000 -4.280960 -4.280960\n4.280960 0.000000 -4.280960\n4.280960 -4.280960 0.000000\nSr Nd Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Sb\n0.732996 0.267004 0.267004 O\n0.267004 0.732996 0.732996 O\n0.732996 0.267004 0.732996 O\n0.267004 0.732996 0.267004 O\n0.732996 0.732996 0.267004 O\n0.267004 0.267004 0.732996 O\n",
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"elements": [
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],
"chemical_system": "Eu-Nd-O-Sb-Sr",
"density": 6.366352975921005,
"density_atomic": 0.06373037801985289,
"volume": 156.91104165245753,
"volume_molar": 9.449403796293222,
"formula_full": "Sr1 Nd1 Eu1 Sb1 O6",
"formula_reduced": "SrNdEuSbO6",
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"updated_at": "2021-11-28T01:35:27.822000Z",
"spacegroup": 216
}
]
}