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{
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{
"id": "mp-1038783",
"created_at": "2022-09-04T14:41:07.861283Z",
"structure_string": "Ca1 Zn1\n1.0\n0.000000 3.381874 3.381874\n3.381874 0.000000 3.381874\n3.381874 3.381874 0.000000\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n",
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{
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{
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"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
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"elements": [
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"density": 0.315794011479698,
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"volume": 1446.7443331227453,
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"formula_full": "Sr1 La1 Mg2",
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"band_gap": 0.0051000000000001,
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"updated_at": "2021-11-28T01:38:31.078000Z",
"spacegroup": 71
},
{
"id": "mp-1096162",
"created_at": "2022-09-04T14:40:31.663083Z",
"structure_string": "Mg2 Cd1 Ga1\n1.0\n-5.520032 5.951147 8.421434\n5.520032 -5.951147 8.421434\n5.520032 5.951147 -8.421434\nMg Cd Ga\n2 1 1\ndirect\n0.000000 0.245625 0.245625 Mg\n0.000000 0.754375 0.754375 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Mg",
"density": 0.34625113078598735,
"density_atomic": 0.003614695157617059,
"volume": 1106.5940074008754,
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"formula_full": "Mg2 Cd1 Ga1",
"formula_reduced": "Mg2CdGa",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:02.535000Z",
"spacegroup": 71
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{
"id": "mp-11464",
"created_at": "2022-09-04T14:41:50.398132Z",
"structure_string": "Mg1 Hg2\n1.0\n-1.957061 1.957061 4.481986\n1.957061 -1.957061 4.481986\n1.957061 1.957061 -4.481986\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666520 0.666520 0.000000 Hg\n0.333480 0.333480 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"Hg"
],
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"density": 10.28949687666519,
"density_atomic": 0.04368999980888058,
"volume": 68.66559883550765,
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"formula_full": "Mg1 Hg2",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -2.57212256,
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"spacegroup": 139
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{
"id": "mp-1097144",
"created_at": "2022-09-04T14:43:21.792511Z",
"structure_string": "Li1 Tl1 Hg2\n1.0\n-5.786293 5.840750 9.047056\n5.786293 -5.840750 9.047056\n5.786293 5.840750 -9.047056\nLi Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Tl\n0.768348 0.000000 0.768348 Hg\n0.231652 0.000000 0.231652 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Li-Tl",
"density": 0.8316142656620669,
"density_atomic": 0.003270571760930784,
"volume": 1223.027743278021,
"volume_molar": 184.13113058513466,
"formula_full": "Li1 Tl1 Hg2",
"formula_reduced": "LiTlHg2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -2.59558751,
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"updated_at": "2021-11-28T01:36:15.572000Z",
"spacegroup": 71
},
{
"id": "mp-1097089",
"created_at": "2022-09-04T14:44:19.043024Z",
"structure_string": "Cs1 Rb1 Na2\n1.0\n-7.672120 8.188441 10.868048\n7.672120 -8.188441 10.868048\n7.672120 8.188441 -10.868048\nCs Rb Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.753124 0.000000 0.753124 Na\n0.246876 0.000000 0.246876 Na\n",
"nsites": 4,
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"elements": [
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"Na"
],
"chemical_system": "Cs-Na-Rb",
"density": 0.1607329243172449,
"density_atomic": 0.0014646432044920594,
"volume": 2731.0405617777787,
"volume_molar": 411.1677671073815,
"formula_full": "Cs1 Rb1 Na2",
"formula_reduced": "CsRbNa2",
"formula_anonymous": "ABC2",
"energy": -2.59798321,
"energy_per_atom": -0.6494958025,
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"total_magnetization": 1.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.616000Z",
"spacegroup": 71
},
{
"id": "mp-1095895",
"created_at": "2022-09-04T14:47:05.432711Z",
"structure_string": "Li2 Zn1 Hg1\n1.0\n-5.546521 5.616342 7.843443\n5.546521 -5.616342 7.843443\n5.546521 5.616342 -7.843443\nLi Zn Hg\n2 1 1\ndirect\n0.248743 0.000000 0.248743 Li\n0.751257 0.000000 0.751257 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Hg-Li-Zn",
"density": 0.47553399684329495,
"density_atomic": 0.004092786100014453,
"volume": 977.3293551758973,
"volume_molar": 147.1403736437322,
"formula_full": "Li2 Zn1 Hg1",
"formula_reduced": "Li2ZnHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:47.579000Z",
"spacegroup": 71
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{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
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"density": 0.5195942102289478,
"density_atomic": 0.0025509689008503815,
"volume": 1568.0316599181492,
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"formula_full": "Sr2 In1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:17.424000Z",
"spacegroup": 71
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{
"id": "mp-10172",
"created_at": "2022-09-04T14:46:32.530236Z",
"structure_string": "Na2\n1.0\n1.879709 -3.255751 0.000000\n1.879709 3.255751 0.000000\n0.000000 0.000000 6.064977\nNa\n2\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 2,
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"volume": 74.23367434308267,
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"energy": -2.62444601,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:30.131000Z",
"spacegroup": 194
},
{
"id": "mp-1096153",
"created_at": "2022-09-04T14:39:28.283012Z",
"structure_string": "Ba2 Tl1 Hg1\n1.0\n-6.487499 7.224893 10.120803\n6.487499 -7.224893 10.120803\n6.487499 7.224893 -10.120803\nBa Tl Hg\n2 1 1\ndirect\n0.000000 0.251302 0.251302 Ba\n0.000000 0.748698 0.748698 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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"density": 0.5947524324369714,
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"volume": 1897.508309051725,
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"formula_full": "Ba2 Tl1 Hg1",
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"updated_at": "2021-11-28T01:34:32.754000Z",
"spacegroup": 71
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{
"id": "mp-1038972",
"created_at": "2022-09-04T14:44:20.693325Z",
"structure_string": "Mg1 Cd1\n1.0\n4.798411 -1.667390 0.000000\n4.798411 1.667390 0.000000\n4.219013 0.000000 2.829288\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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"density": 5.014488632215063,
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"volume": 45.273262276596775,
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"formula_full": "Mg1 Cd1",
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"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.324000Z",
"spacegroup": 166
}
]
}