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{
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{
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{
"id": "mp-1013529",
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"density": 3.913149717341605,
"density_atomic": 0.04050823901554612,
"volume": 123.43168011033795,
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"formula_full": "Sr3 N2",
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"updated_at": "2021-11-28T01:39:00.984000Z",
"spacegroup": 221
},
{
"id": "mp-1187120",
"created_at": "2022-09-04T14:42:13.599627Z",
"structure_string": "Sr3 Nb1\n1.0\n0.000000 4.290454 4.290454\n4.290454 0.000000 4.290454\n4.290454 4.290454 0.000000\nSr Nb\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nb\n",
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"density": 3.7400228571625664,
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"volume": 157.95731607401305,
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"formula_full": "Sr3 Nb1",
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"energy": -12.23351348,
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"updated_at": "2021-11-28T01:35:42.237000Z",
"spacegroup": 225
},
{
"id": "mp-1187123",
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"structure_string": "Sr3 Nb1\n1.0\n-2.774476 2.774476 5.182468\n2.774476 -2.774476 5.182468\n2.774476 2.774476 -5.182468\nSr Nb\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Nb\n",
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"formula_full": "Sr3 Nb1",
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{
"id": "mp-1303642",
"created_at": "2022-09-04T14:47:07.597614Z",
"structure_string": "Sr3 Nb1 Co1 O7\n1.0\n3.965870 0.003135 -0.008771\n0.003212 3.998463 0.001825\n1.960990 2.005796 10.711455\nSr Nb Co O\n3 1 1 7\ndirect\n0.310925 0.308753 0.382129 Sr\n0.678843 0.682592 0.635603 Sr\n0.513938 0.521177 0.958873 Sr\n0.900607 0.902180 0.196331 Nb\n0.093397 0.111251 0.782572 Co\n0.600288 0.095850 0.806077 O\n0.096379 0.595970 0.806107 O\n0.395700 0.895673 0.208854 O\n0.895551 0.396204 0.207899 O\n0.991042 0.991494 0.017827 O\n0.216108 0.196183 0.603599 O\n0.807222 0.802671 0.394129 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.147427868605744,
"density_atomic": 0.0706257240722564,
"volume": 169.90976245033514,
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"formula_full": "Sr3 Nb1 Co1 O7",
"formula_reduced": "Sr3NbCoO7",
"formula_anonymous": "ABC3D7",
"energy": -90.63943962,
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"spacegroup": 8
},
{
"id": "mp-1218496",
"created_at": "2022-09-04T14:41:30.579509Z",
"structure_string": "Sr3 Nb1 Co1 O7\n1.0\n-1.994149 1.994149 10.422698\n1.994149 -1.994149 10.422698\n1.994149 1.994149 -10.422698\nSr Nb Co O\n3 1 1 7\ndirect\n0.692895 0.692895 0.000000 Sr\n0.321234 0.321234 0.000000 Sr\n0.482934 0.482934 0.000000 Sr\n0.094895 0.094895 0.000000 Nb\n0.899988 0.899988 0.000000 Co\n0.904717 0.404717 0.500000 O\n0.404717 0.904717 0.500000 O\n0.098762 0.598762 0.500000 O\n0.598762 0.098762 0.500000 O\n0.002370 0.002370 0.000000 O\n0.804540 0.804540 0.000000 O\n0.194186 0.194186 0.000000 O\n",
"nsites": 12,
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"elements": [
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],
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"formula_full": "Sr3 Nb1 Co1 O7",
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"updated_at": "2021-11-28T01:35:21.532000Z",
"spacegroup": 107
},
{
"id": "mp-1192427",
"created_at": "2022-09-04T14:43:00.354195Z",
"structure_string": "Sr3 Nb1 Ga3 Si2 O14\n1.0\n-0.000002 -0.000001 -5.185787\n-4.321800 -7.503646 0.003138\n-4.337448 7.512680 0.000000\nSr Nb Ga Si O\n3 1 3 2 14\ndirect\n0.000363 0.584078 0.583944 Sr\n0.999637 0.415922 0.999866 Sr\n0.000000 0.000000 0.412279 Sr\n0.000000 0.000000 0.998770 Nb\n0.500003 0.256674 0.256060 Ga\n0.499997 0.743326 0.999387 Ga\n0.500000 0.000000 0.743477 Ga\n0.288095 0.332466 0.666574 Si\n0.711905 0.667534 0.334108 Si\n0.971664 0.337820 0.667346 O\n0.028336 0.662180 0.329526 O\n0.644732 0.846003 0.523153 O\n0.628163 0.483527 0.328288 O\n0.635264 0.682320 0.160417 O\n0.355268 0.153997 0.677151 O\n0.364736 0.317680 0.478097 O\n0.371837 0.516473 0.844761 O\n0.231442 0.880180 0.781688 O\n0.230984 0.217828 0.098541 O\n0.229650 0.899993 0.117171 O\n0.768558 0.119820 0.901508 O\n0.770350 0.100007 0.217178 O\n0.769016 0.782172 0.880712 O\n",
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{
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"spacegroup": 150
},
{
"id": "mp-1208719",
"created_at": "2022-09-04T14:47:09.351840Z",
"structure_string": "Sr3 Nb1 O6\n1.0\n0.000000 4.361311 4.361311\n4.361311 0.000000 4.361311\n4.361311 4.361311 0.000000\nSr Nb O\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nb\n0.770717 0.229283 0.229283 O\n0.229283 0.770717 0.770717 O\n0.229283 0.770717 0.229283 O\n0.770717 0.229283 0.770717 O\n0.229283 0.229283 0.770717 O\n0.770717 0.770717 0.229283 O\n",
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{
"id": "mp-1218633",
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"structure_string": "Sr3 Nb2 Cu1 O9\n1.0\n2.804797 5.113501 0.000000\n-2.804797 5.113501 0.000000\n0.000000 0.520775 7.080963\nSr Nb Cu O\n3 2 1 9\ndirect\n0.832904 0.832904 0.326632 Sr\n0.500000 0.500000 0.000000 Sr\n0.167096 0.167096 0.673368 Sr\n0.843965 0.843965 0.819131 Nb\n0.156035 0.156035 0.180869 Nb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 O\n0.706326 0.706326 0.650498 O\n0.293674 0.293674 0.349502 O\n0.801902 0.312971 0.313662 O\n0.500000 0.000000 0.000000 O\n0.198098 0.687029 0.686338 O\n0.312971 0.801902 0.313662 O\n0.000000 0.500000 0.000000 O\n0.687029 0.198098 0.686338 O\n",
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{
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"structure_string": "Sr3 Nb2 Zn1 O9\n1.0\n2.875882 -4.981174 0.000000\n2.875882 4.981174 0.000000\n0.000000 0.000000 7.058750\nSr Nb Zn O\n3 2 1 9\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.835176 Sr\n0.333333 0.666667 0.164824 Sr\n0.666667 0.333333 0.320424 Nb\n0.333333 0.666667 0.679576 Nb\n0.000000 0.000000 0.000000 Zn\n0.660558 0.830279 0.828554 O\n0.339442 0.169721 0.171446 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.169721 0.339442 0.828554 O\n0.830279 0.660558 0.171446 O\n0.500000 0.500000 0.500000 O\n0.169721 0.830279 0.828554 O\n0.830279 0.169721 0.171446 O\n",
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"updated_at": "2021-11-28T01:35:44.773000Z",
"spacegroup": 164
}
]
}