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{
"id": "mp-22919",
"created_at": "2022-09-04T14:48:08.447774Z",
"structure_string": "Ag1 I1\n1.0\n0.000000 3.084500 3.084500\n3.084500 0.000000 3.084500\n3.084500 3.084500 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n",
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{
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{
"id": "mp-975015",
"created_at": "2022-09-04T14:45:55.293943Z",
"structure_string": "Rb3 Ga1\n1.0\n-3.134327 3.134327 5.635995\n3.134327 -3.134327 5.635995\n3.134327 3.134327 -5.635995\nRb Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"formula_full": "Rb3 Ga1",
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"updated_at": "2021-11-28T01:37:10.991000Z",
"spacegroup": 139
},
{
"id": "mp-1186089",
"created_at": "2022-09-04T14:41:19.685615Z",
"structure_string": "Na3 Yb1\n1.0\n0.000000 4.250866 4.250866\n4.250866 0.000000 4.250866\n4.250866 4.250866 0.000000\nNa Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
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"volume": 153.62512187517694,
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"formula_full": "Na3 Yb1",
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"spacegroup": 225
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{
"id": "mp-1207019",
"created_at": "2022-09-04T14:48:10.042534Z",
"structure_string": "Br1 O1\n1.0\n2.726092 -1.853757 0.000000\n2.726092 1.853757 0.000000\n1.465527 0.000000 2.953002\nBr O\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
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"elements": [
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"formula_full": "Br1 O1",
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"spacegroup": 166
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{
"id": "mp-1016287",
"created_at": "2022-09-04T14:39:46.340913Z",
"structure_string": "K1 Mg3\n1.0\n3.241938 0.000000 0.000000\n0.000000 5.270290 0.000000\n0.000000 0.000000 7.278526\nK Mg\n1 3\ndirect\n0.500000 0.000000 0.140137 K\n0.000000 0.000000 0.648849 Mg\n0.000000 0.500000 0.416387 Mg\n0.500000 0.500000 0.794627 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.4956708645165808,
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"volume": 124.36055621696156,
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"formula_full": "K1 Mg3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:45.704000Z",
"spacegroup": 25
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{
"id": "mp-976031",
"created_at": "2022-09-04T14:39:38.736186Z",
"structure_string": "Na1 Ac1\n1.0\n1.941800 -3.363296 0.000000\n1.941800 3.363296 0.000000\n0.000000 0.000000 6.517857\nNa Ac\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.500000 Ac\n",
"nsites": 2,
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"elements": [
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"density": 4.876036209864473,
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"volume": 85.13426895804338,
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"formula_full": "Na1 Ac1",
"formula_reduced": "NaAc",
"formula_anonymous": "AB",
"energy": -5.09159294,
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"energy_above_hull": null,
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"energy_uncorrected": -5.09159294,
"band_gap": 0.0,
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"total_magnetization": 0.001494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.179000Z",
"spacegroup": 187
},
{
"id": "mp-1095873",
"created_at": "2022-09-04T14:42:42.291231Z",
"structure_string": "Li1 Zr1 Hg2\n1.0\n-5.689727 6.077672 8.424744\n5.689727 -6.077672 8.424744\n5.689727 6.077672 -8.424744\nLi Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zr\n0.000000 0.236461 0.236461 Hg\n0.000000 0.763539 0.763539 Hg\n",
"nsites": 4,
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"elements": [
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"Zr",
"Hg"
],
"chemical_system": "Hg-Li-Zr",
"density": 0.7115483427359829,
"density_atomic": 0.0034325320401579124,
"volume": 1165.32051360429,
"volume_molar": 175.44310408601325,
"formula_full": "Li1 Zr1 Hg2",
"formula_reduced": "LiZrHg2",
"formula_anonymous": "ABC2",
"energy": -5.09059324,
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"updated_at": "2021-11-28T01:36:05.890000Z",
"spacegroup": 71
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{
"id": "mp-1093662",
"created_at": "2022-09-04T14:42:46.384672Z",
"structure_string": "Ca1 Mg1 Ag2\n1.0\n-5.738357 6.274529 8.865973\n5.738357 -6.274529 8.865973\n5.738357 6.274529 -8.865973\nCa Mg Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.248258 0.248258 Ag\n0.000000 0.751742 0.751742 Ag\n",
"nsites": 4,
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"density": 0.3642815659469248,
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"volume": 1276.8947168749228,
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"formula_full": "Ca1 Mg1 Ag2",
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"formula_anonymous": "ABC2",
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{
"id": "mp-1222405",
"created_at": "2022-09-04T14:46:57.490072Z",
"structure_string": "Li1 Cd3\n1.0\n1.592156 -2.757695 0.000000\n1.592156 2.757695 0.000000\n0.000000 0.000000 9.650587\nLi Cd\n1 3\ndirect\n0.333333 0.666667 0.000000 Li\n0.333333 0.666667 0.500000 Cd\n0.000000 0.000000 0.234774 Cd\n0.000000 0.000000 0.765226 Cd\n",
"nsites": 4,
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"density": 6.743907134364017,
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"formula_full": "Li1 Cd3",
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{
"id": "mp-1187100",
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"structure_string": "Sr2 Mg1\n1.0\n-2.115764 2.115764 7.149149\n2.115764 -2.115764 7.149149\n2.115764 2.115764 -7.149149\nSr Mg\n2 1\ndirect\n0.357017 0.357017 0.000000 Sr\n0.642983 0.642983 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 3,
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"density": 2.588458229916122,
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"volume": 128.01144102504384,
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"formula_full": "Sr2 Mg1",
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{
"id": "mp-1186084",
"created_at": "2022-09-04T14:46:03.121846Z",
"structure_string": "Na3 Yb1\n1.0\n5.372531 0.000000 0.000000\n0.000000 5.372531 0.000000\n0.000000 0.000000 5.372531\nNa Yb\n3 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Yb\n",
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"updated_at": "2021-11-28T01:37:19.440000Z",
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]
}