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{
"id": "mp-1094654",
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"structure_string": "Mg1 Ga1\n1.0\n0.000000 3.144080 3.144080\n3.144080 0.000000 3.144080\n3.144080 3.144080 0.000000\nMg Ga\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Cd4\n1.0\n1.645495 -2.850081 0.000000\n1.645495 2.850081 0.000000\n0.000000 0.000000 9.667985\nCd\n4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.250000 Cd\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.750000 Cd\n",
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{
"id": "mp-1094578",
"created_at": "2022-09-04T14:44:08.147356Z",
"structure_string": "Li1 Mg1\n1.0\n5.042161 -1.564963 0.000000\n5.042161 1.564963 0.000000\n4.556435 0.000000 2.666720\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
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"elements": [
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"volume": 42.085083845072546,
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"formula_full": "Li1 Mg1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.794000Z",
"spacegroup": 166
},
{
"id": "mp-1096053",
"created_at": "2022-09-04T14:46:13.045419Z",
"structure_string": "Na1 Sr1 Tl2\n1.0\n-6.439250 6.876289 9.855776\n6.439250 -6.876289 9.855776\n6.439250 6.876289 -9.855776\nNa Sr Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.243402 0.243402 Tl\n0.000000 0.756598 0.756598 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Na-Sr-Tl",
"density": 0.4940729303511832,
"density_atomic": 0.0022914995054037035,
"volume": 1745.581873601715,
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"formula_full": "Na1 Sr1 Tl2",
"formula_reduced": "NaSrTl2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:26.988000Z",
"spacegroup": 71
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{
"id": "mp-976220",
"created_at": "2022-09-04T14:42:57.058472Z",
"structure_string": "Na1 Cd1 Hg2\n1.0\n0.000000 3.674640 3.674640\n3.674640 0.000000 3.674640\n3.674640 3.674640 0.000000\nNa Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Na",
"density": 8.978624539098846,
"density_atomic": 0.04030747572029646,
"volume": 99.2371744575867,
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"formula_full": "Na1 Cd1 Hg2",
"formula_reduced": "NaCdHg2",
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"updated_at": "2021-11-28T01:36:09.821000Z",
"spacegroup": 225
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{
"id": "mp-1185337",
"created_at": "2022-09-04T14:47:58.957675Z",
"structure_string": "Li1 Hg3\n1.0\n-2.322143 2.322143 4.299339\n2.322143 -2.322143 4.299339\n2.322143 2.322143 -4.299339\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
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"chemical_system": "Hg-Li",
"density": 10.89985309575773,
"density_atomic": 0.04313406501847922,
"volume": 92.73413016571348,
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"formula_full": "Li1 Hg3",
"formula_reduced": "LiHg3",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.162000Z",
"spacegroup": 139
},
{
"id": "mp-1093668",
"created_at": "2022-09-04T14:47:57.087284Z",
"structure_string": "Ca2 Cd1 Ag1\n1.0\n-6.424899 6.445594 9.093475\n6.424899 -6.445594 9.093475\n6.424899 6.445594 -9.093475\nCa Cd Ag\n2 1 1\ndirect\n0.000000 0.235269 0.235269 Ca\n0.000000 0.764731 0.764731 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ag"
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"chemical_system": "Ag-Ca-Cd",
"density": 0.3311927280044247,
"density_atomic": 0.002655466772762036,
"volume": 1506.3265114176036,
"volume_molar": 226.7827570569139,
"formula_full": "Ca2 Cd1 Ag1",
"formula_reduced": "Ca2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.52443568,
"energy_per_atom": -0.88110892,
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"updated_at": "2021-11-28T01:38:21.165000Z",
"spacegroup": 71
},
{
"id": "mp-1097457",
"created_at": "2022-09-04T14:44:26.932198Z",
"structure_string": "Sr2 Li1 Al1\n1.0\n-6.373902 6.682265 9.005028\n6.373902 -6.682265 9.005028\n6.373902 6.682265 -9.005028\nSr Li Al\n2 1 1\ndirect\n0.269793 0.000000 0.269793 Sr\n0.730207 0.000000 0.730207 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"Li",
"Al"
],
"chemical_system": "Al-Li-Sr",
"density": 0.2263908481033897,
"density_atomic": 0.002607269090633496,
"volume": 1534.1722932894922,
"volume_molar": 230.97503750703316,
"formula_full": "Sr2 Li1 Al1",
"formula_reduced": "Sr2LiAl",
"formula_anonymous": "ABC2",
"energy": -3.51819297,
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"updated_at": "2021-11-28T01:36:35.277000Z",
"spacegroup": 71
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{
"id": "mp-1093799",
"created_at": "2022-09-04T14:46:10.279084Z",
"structure_string": "Na1 Ca2 Al1\n1.0\n-6.526372 6.809046 9.661957\n6.526372 -6.809046 9.661957\n6.526372 6.809046 -9.661957\nNa Ca Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.276054 0.276054 Ca\n0.000000 0.723946 0.723946 Ca\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"density": 0.125815560858103,
"density_atomic": 0.002329039245924897,
"volume": 1717.446370643505,
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"formula_full": "Na1 Ca2 Al1",
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"updated_at": "2021-11-28T01:37:20.034000Z",
"spacegroup": 71
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{
"id": "mp-902",
"created_at": "2022-09-04T14:39:18.021922Z",
"structure_string": "Ba1 Zn1\n1.0\n4.121492 0.000000 0.000000\n0.000000 4.121492 0.000000\n0.000000 0.000000 4.121492\nBa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"density": 4.808577139868578,
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"volume": 70.01053293187233,
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"formula_full": "Ba1 Zn1",
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"energy": -3.51347611,
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"updated_at": "2021-11-28T01:34:25.024000Z",
"spacegroup": 221
},
{
"id": "mp-10869",
"created_at": "2022-09-04T14:41:26.759513Z",
"structure_string": "S1\n1.0\n2.575968 0.000000 0.000000\n0.000000 2.575968 0.000000\n0.000000 0.000000 2.575968\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
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"updated_at": "2021-11-28T01:35:15.088000Z",
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{
"id": "mp-973824",
"created_at": "2022-09-04T14:42:46.533313Z",
"structure_string": "Li1 Hg3\n1.0\n0.000000 3.584509 3.584509\n3.584509 0.000000 3.584509\n3.584509 3.584509 0.000000\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 10.973400404186787,
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"volume": 92.11259578056558,
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"formula_full": "Li1 Hg3",
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"updated_at": "2021-11-28T01:35:52.045000Z",
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]
}