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{
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{
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{
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"formula_full": "Sr1 Li2 In1",
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"updated_at": "2021-11-28T01:36:13.898000Z",
"spacegroup": 225
},
{
"id": "mp-557857",
"created_at": "2022-09-04T14:42:18.089423Z",
"structure_string": "Sr2 Li4 Nb4 O14\n1.0\n2.838299 -9.167667 0.000000\n2.838299 9.167667 0.000000\n0.000000 0.000000 5.665583\nSr Li Nb O\n2 4 4 14\ndirect\n0.255062 0.255062 0.250000 Sr\n0.744938 0.744938 0.750000 Sr\n0.261584 0.738416 0.000000 Li\n0.738416 0.261584 0.000000 Li\n0.738416 0.261584 0.500000 Li\n0.261584 0.738416 0.500000 Li\n0.361563 0.130788 0.750000 Nb\n0.869212 0.638437 0.250000 Nb\n0.638437 0.869212 0.250000 Nb\n0.130788 0.361563 0.750000 Nb\n0.616312 0.383688 0.000000 O\n0.905198 0.094802 0.500000 O\n0.383688 0.616312 0.500000 O\n0.562836 0.999298 0.250000 O\n0.296984 0.296984 0.750000 O\n0.905198 0.094802 0.000000 O\n0.616312 0.383688 0.500000 O\n0.000702 0.437164 0.750000 O\n0.703016 0.703016 0.250000 O\n0.999298 0.562836 0.250000 O\n0.383688 0.616312 0.000000 O\n0.437164 0.000702 0.750000 O\n0.094802 0.905198 0.000000 O\n0.094802 0.905198 0.500000 O\n",
"nsites": 24,
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"formula_full": "Sr2 Li4 Nb4 O14",
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"spacegroup": 63
},
{
"id": "mp-561294",
"created_at": "2022-09-04T14:42:13.413313Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n-2.006508 2.006508 9.209421\n2.006508 -2.006508 9.209421\n2.006508 2.006508 -9.209421\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.384435 0.384435 0.000000 Nb\n0.615565 0.615565 0.000000 Nb\n0.605395 0.105395 0.500000 O\n0.105395 0.605395 0.500000 O\n0.718769 0.718769 0.000000 O\n0.894605 0.394605 0.500000 O\n0.281231 0.281231 0.000000 O\n0.500000 0.500000 0.000000 O\n0.394605 0.894605 0.500000 O\n",
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"elements": [
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],
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"density": 4.470805573122048,
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"volume": 148.3112548155138,
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"formula_full": "Sr1 Li2 Nb2 O7",
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"updated_at": "2021-11-28T01:35:41.042000Z",
"spacegroup": 139
},
{
"id": "mp-570097",
"created_at": "2022-09-04T14:41:50.016263Z",
"structure_string": "Sr1 Li4 P2\n1.0\n7.951608 -2.147503 0.000000\n7.951608 2.147503 0.000000\n7.371629 0.000000 3.674088\nSr Li P\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.429412 0.429412 0.429412 Li\n0.137726 0.137726 0.137726 Li\n0.570588 0.570588 0.570588 Li\n0.862274 0.862274 0.862274 Li\n0.753862 0.753862 0.753862 P\n0.246138 0.246138 0.246138 P\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Li-P-Sr",
"density": 2.3467496023947207,
"density_atomic": 0.05578658145003729,
"volume": 125.47820314584487,
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"formula_full": "Sr1 Li4 P2",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:36.064000Z",
"spacegroup": 166
},
{
"id": "mp-867174",
"created_at": "2022-09-04T14:39:05.928391Z",
"structure_string": "Sr1 Li2 Pb1\n1.0\n0.000000 3.637507 3.637507\n3.637507 0.000000 3.637507\n3.637507 3.637507 0.000000\nSr Li Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Pb\n",
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"updated_at": "2021-11-28T01:34:37.307000Z",
"spacegroup": 225
},
{
"id": "mp-1096762",
"created_at": "2022-09-04T14:46:54.153108Z",
"structure_string": "Sr1 Li2 Si1\n1.0\n-6.105497 6.336943 8.868855\n6.105497 -6.336943 8.868855\n6.105497 6.336943 -8.868855\nSr Li Si\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.200532 0.200532 Li\n0.000000 0.799468 0.799468 Li\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
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"volume": 1372.5506151027485,
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"formula_full": "Sr1 Li2 Si1",
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"updated_at": "2021-11-28T01:37:45.383000Z",
"spacegroup": 71
},
{
"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",
"nsites": 108,
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"elements": [
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],
"chemical_system": "Li-N-Si-Sr",
"density": 3.403347743078492,
"density_atomic": 0.08631685782586976,
"volume": 1251.2040257289307,
"volume_molar": 6.976784039276188,
"formula_full": "Sr12 Li24 Si24 N48",
"formula_reduced": "SrLi2(SiN2)2",
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"energy": -729.4474666699999,
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"updated_at": "2021-11-28T01:37:35.740000Z",
"spacegroup": 205
},
{
"id": "mp-1191141",
"created_at": "2022-09-04T14:47:03.176485Z",
"structure_string": "Sr3 Li6 Si3 O12\n1.0\n2.540607 -4.400460 0.000000\n2.540607 4.400460 0.000000\n0.000000 0.000000 12.581224\nSr Li Si O\n3 6 3 12\ndirect\n0.419330 0.000000 0.833333 Sr\n0.580670 0.580670 0.500000 Sr\n0.000000 0.419330 0.166667 Sr\n0.664087 0.592034 0.745386 Li\n0.927947 0.335913 0.412052 Li\n0.407966 0.072053 0.078719 Li\n0.335913 0.927947 0.587948 Li\n0.592034 0.664087 0.254614 Li\n0.072053 0.407966 0.921281 Li\n0.277314 0.000000 0.333333 Si\n0.722686 0.722686 0.000000 Si\n0.000000 0.277314 0.666667 Si\n0.550610 0.514811 0.106383 O\n0.964202 0.449390 0.773050 O\n0.485189 0.035798 0.439716 O\n0.449390 0.964202 0.226950 O\n0.514811 0.550610 0.893617 O\n0.035798 0.485189 0.560284 O\n0.066624 0.760971 0.996021 O\n0.694347 0.933376 0.662687 O\n0.239029 0.305653 0.329354 O\n0.933376 0.694347 0.337313 O\n0.760971 0.066624 0.003979 O\n0.305653 0.239029 0.670646 O\n",
"nsites": 24,
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"elements": [
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"density": 3.428102674944953,
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"volume": 281.31212954422034,
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"formula_full": "Sr3 Li6 Si3 O12",
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{
"id": "mp-867171",
"created_at": "2022-09-04T14:45:35.122808Z",
"structure_string": "Sr1 Li2 Sn1\n1.0\n0.000000 3.594870 3.594870\n3.594870 0.000000 3.594870\n3.594870 3.594870 0.000000\nSr Li Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Sn"
],
"chemical_system": "Li-Sn-Sr",
"density": 3.935596029623138,
"density_atomic": 0.04305072071109318,
"volume": 92.91365937502859,
"volume_molar": 13.988478382077895,
"formula_full": "Sr1 Li2 Sn1",
"formula_reduced": "SrLi2Sn",
"formula_anonymous": "ABC2",
"energy": -11.41254465,
"energy_per_atom": -2.8531361625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.41254465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.756000Z",
"spacegroup": 225
},
{
"id": "mp-558054",
"created_at": "2022-09-04T14:42:45.725514Z",
"structure_string": "Sr2 Li4 Ta4 O14\n1.0\n2.818583 -9.205452 0.000000\n2.818583 9.205452 0.000000\n0.000000 0.000000 5.630893\nSr Li Ta O\n2 4 4 14\ndirect\n0.254801 0.254801 0.250000 Sr\n0.745199 0.745199 0.750000 Sr\n0.741702 0.258298 0.500000 Li\n0.258298 0.741702 0.500000 Li\n0.258298 0.741702 0.000000 Li\n0.741702 0.258298 0.000000 Li\n0.132726 0.362002 0.750000 Ta\n0.362002 0.132726 0.750000 Ta\n0.637998 0.867274 0.250000 Ta\n0.867274 0.637998 0.250000 Ta\n0.903085 0.096915 0.000000 O\n0.989795 0.555824 0.250000 O\n0.612380 0.387620 0.000000 O\n0.903085 0.096915 0.500000 O\n0.555824 0.989795 0.250000 O\n0.096915 0.903085 0.000000 O\n0.612380 0.387620 0.500000 O\n0.387620 0.612380 0.500000 O\n0.096915 0.903085 0.500000 O\n0.444176 0.010205 0.750000 O\n0.284791 0.284791 0.750000 O\n0.010205 0.444176 0.750000 O\n0.387620 0.612380 0.000000 O\n0.715209 0.715209 0.250000 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Sr-Ta",
"density": 6.539745887870949,
"density_atomic": 0.08213495531997277,
"volume": 292.20202173974906,
"volume_molar": 7.332007105305622,
"formula_full": "Sr2 Li4 Ta4 O14",
"formula_reduced": "SrLi2Ta2O7",
"formula_anonymous": "AB2C2D7",
"energy": -204.79458371,
"energy_per_atom": -8.533107654583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.17658371,
"band_gap": 2.1863,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.667000Z",
"spacegroup": 63
}
]
}