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{
"id": "mp-978849",
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"structure_string": "Sm3 Mg1\n1.0\n-2.478987 2.478987 5.024726\n2.478987 -2.478987 5.024726\n2.478987 2.478987 -5.024726\nSm Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sm\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n",
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{
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{
"id": "mp-978846",
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"structure_string": "Sn2 I4\n1.0\n7.630706 0.000000 0.000000\n0.000000 7.630706 0.000000\n0.000000 0.000000 4.695760\nSn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.298521 0.298521 0.000000 I\n0.701479 0.701479 0.000000 I\n0.201479 0.798521 0.500000 I\n0.798521 0.201479 0.500000 I\n",
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},
{
"id": "mp-978845",
"created_at": "2022-09-04T14:43:06.982057Z",
"structure_string": "Sm6 Sc2\n1.0\n3.596440 -6.229216 0.000000\n3.596440 6.229216 0.000000\n0.000000 0.000000 5.665264\nSm Sc\n6 2\ndirect\n0.169481 0.338962 0.250000 Sm\n0.661038 0.830519 0.250000 Sm\n0.169481 0.830519 0.250000 Sm\n0.830519 0.169481 0.750000 Sm\n0.338962 0.169481 0.750000 Sm\n0.830519 0.661038 0.750000 Sm\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n",
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"formula_full": "Sm6 Sc2",
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},
{
"id": "mp-978844",
"created_at": "2022-09-04T14:42:15.184429Z",
"structure_string": "Sr1 Ca3 O4\n1.0\n4.945903 0.000000 0.000000\n0.000000 4.945903 0.000000\n0.000000 0.000000 4.945903\nSr Ca O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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"updated_at": "2021-11-28T01:35:42Z",
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},
{
"id": "mp-978842",
"created_at": "2022-09-04T14:39:35.249222Z",
"structure_string": "Sr1 Ca1 O3\n1.0\n4.376349 0.000000 0.000000\n0.000000 4.376349 0.000000\n0.000000 0.000000 4.376349\nSr Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"updated_at": "2021-11-28T01:34:23.475000Z",
"spacegroup": 221
},
{
"id": "mp-978840",
"created_at": "2022-09-04T14:46:25.333385Z",
"structure_string": "Sr12 Li24 Si24 N48\n1.0\n10.775631 0.000000 0.000000\n0.000000 10.775631 0.000000\n0.000000 0.000000 10.775631\nSr Li Si N\n12 24 24 48\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.218239 0.218239 0.218239 Sr\n0.281761 0.781761 0.718239 Sr\n0.718239 0.281761 0.781761 Sr\n0.781761 0.718239 0.281761 Sr\n0.781761 0.781761 0.781761 Sr\n0.718239 0.218239 0.281761 Sr\n0.281761 0.718239 0.218239 Sr\n0.218239 0.281761 0.718239 Sr\n0.232316 0.973390 0.110188 Li\n0.267684 0.026610 0.610188 Li\n0.732316 0.526610 0.889812 Li\n0.767684 0.473390 0.389812 Li\n0.110188 0.232316 0.973390 Li\n0.973390 0.110188 0.232316 Li\n0.389812 0.767684 0.473390 Li\n0.026610 0.610188 0.267684 Li\n0.610188 0.267684 0.026610 Li\n0.526610 0.889812 0.732316 Li\n0.889812 0.732316 0.526610 Li\n0.473390 0.389812 0.767684 Li\n0.767684 0.026610 0.889812 Li\n0.732316 0.973390 0.389812 Li\n0.267684 0.473390 0.110188 Li\n0.232316 0.526610 0.610188 Li\n0.889812 0.767684 0.026610 Li\n0.026610 0.889812 0.767684 Li\n0.610188 0.232316 0.526610 Li\n0.973390 0.389812 0.732316 Li\n0.389812 0.732316 0.973390 Li\n0.473390 0.110188 0.267684 Li\n0.110188 0.267684 0.473390 Li\n0.526610 0.610188 0.232316 Li\n0.479836 0.371204 0.243543 Si\n0.020164 0.628796 0.743543 Si\n0.979836 0.128796 0.756457 Si\n0.520164 0.871204 0.256457 Si\n0.243543 0.479836 0.371204 Si\n0.371204 0.243543 0.479836 Si\n0.256457 0.520164 0.871204 Si\n0.628796 0.743543 0.020164 Si\n0.743543 0.020164 0.628796 Si\n0.128796 0.756457 0.979836 Si\n0.756457 0.979836 0.128796 Si\n0.871204 0.256457 0.520164 Si\n0.520164 0.628796 0.756457 Si\n0.979836 0.371204 0.256457 Si\n0.020164 0.871204 0.243543 Si\n0.479836 0.128796 0.743543 Si\n0.756457 0.520164 0.628796 Si\n0.628796 0.756457 0.520164 Si\n0.743543 0.479836 0.128796 Si\n0.371204 0.256457 0.979836 Si\n0.256457 0.979836 0.371204 Si\n0.871204 0.243543 0.020164 Si\n0.243543 0.020164 0.871204 Si\n0.128796 0.743543 0.479836 Si\n0.272496 0.124564 0.992388 N\n0.227504 0.875436 0.492388 N\n0.772496 0.375436 0.007612 N\n0.727504 0.624564 0.507612 N\n0.992388 0.272496 0.124564 N\n0.124564 0.992388 0.272496 N\n0.507612 0.727504 0.624564 N\n0.875436 0.492388 0.227504 N\n0.492388 0.227504 0.875436 N\n0.375436 0.007612 0.772496 N\n0.007612 0.772496 0.375436 N\n0.624564 0.507612 0.727504 N\n0.727504 0.875436 0.007612 N\n0.772496 0.124564 0.507612 N\n0.227504 0.624564 0.992388 N\n0.272496 0.375436 0.492388 N\n0.007612 0.727504 0.875436 N\n0.875436 0.007612 0.727504 N\n0.492388 0.272496 0.375436 N\n0.124564 0.507612 0.772496 N\n0.507612 0.772496 0.124564 N\n0.624564 0.992388 0.227504 N\n0.992388 0.227504 0.624564 N\n0.375436 0.492388 0.272496 N\n0.267918 0.125072 0.443038 N\n0.232082 0.874928 0.943038 N\n0.767918 0.374928 0.556962 N\n0.732082 0.625072 0.056962 N\n0.443038 0.267918 0.125072 N\n0.125072 0.443038 0.267918 N\n0.056962 0.732082 0.625072 N\n0.874928 0.943038 0.232082 N\n0.943038 0.232082 0.874928 N\n0.374928 0.556962 0.767918 N\n0.556962 0.767918 0.374928 N\n0.625072 0.056962 0.732082 N\n0.732082 0.874928 0.556962 N\n0.767918 0.125072 0.056962 N\n0.232082 0.625072 0.443038 N\n0.267918 0.374928 0.943038 N\n0.556962 0.732082 0.874928 N\n0.874928 0.556962 0.732082 N\n0.943038 0.267918 0.374928 N\n0.125072 0.056962 0.767918 N\n0.056962 0.767918 0.125072 N\n0.625072 0.443038 0.232082 N\n0.443038 0.232082 0.625072 N\n0.374928 0.943038 0.267918 N\n",
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"density": 3.403347743078492,
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"volume": 1251.2040257289307,
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"formula_full": "Sr12 Li24 Si24 N48",
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{
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"structure_string": "Sm1 Y1 In2\n1.0\n0.000000 3.806076 3.806076\n3.806076 0.000000 3.806076\n3.806076 3.806076 0.000000\nSm Y In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n",
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{
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{
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{
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{
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"structure_string": "Sm3 Cr1\n1.0\n-2.408464 2.408464 4.974111\n2.408464 -2.408464 4.974111\n2.408464 2.408464 -4.974111\nSm Cr\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Cr\n",
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.37359163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3368341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.026000Z",
"spacegroup": 139
}
]
}