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{
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"results": [
{
"id": "mp-1093755",
"created_at": "2022-09-04T14:46:11.847803Z",
"structure_string": "Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n",
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{
"id": "mp-1062055",
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"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
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"formula_full": "Br3",
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"updated_at": "2021-11-28T01:36:05.895000Z",
"spacegroup": 221
},
{
"id": "mp-2545",
"created_at": "2022-09-04T14:48:27.659646Z",
"structure_string": "Yb1 Hg1\n1.0\n3.754500 0.000000 0.000000\n0.000000 3.754500 0.000000\n0.000000 0.000000 3.754500\nYb Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Hg-Yb",
"density": 11.722885182234823,
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"volume": 52.92444665362501,
"volume_molar": 15.935923369662039,
"formula_full": "Yb1 Hg1",
"formula_reduced": "YbHg",
"formula_anonymous": "AB",
"energy": -3.11887475,
"energy_per_atom": -1.559437375,
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"band_gap": 0.0,
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"total_magnetization": 1.1e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:17.650000Z",
"spacegroup": 221
},
{
"id": "mp-1009651",
"created_at": "2022-09-04T14:42:55.994153Z",
"structure_string": "Ca1 Hg2\n1.0\n2.702903 -4.681565 0.000000\n2.702903 4.681565 0.000000\n0.000000 0.000000 3.589869\nCa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.946832 Hg\n0.333333 0.666667 0.053168 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ca-Hg",
"density": 8.065133774496399,
"density_atomic": 0.03302106988770648,
"volume": 90.8510841775263,
"volume_molar": 18.237267237189073,
"formula_full": "Ca1 Hg2",
"formula_reduced": "CaHg2",
"formula_anonymous": "AB2",
"energy": -3.1194455,
"energy_per_atom": -1.0398151666666666,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:06.551000Z",
"spacegroup": 164
},
{
"id": "mp-1095813",
"created_at": "2022-09-04T14:41:45.555962Z",
"structure_string": "Ca2 Ga1 Hg1\n1.0\n-6.134766 6.323271 8.915663\n6.134766 -6.323271 8.915663\n6.134766 6.323271 -8.915663\nCa Ga Hg\n2 1 1\ndirect\n0.000000 0.233437 0.233437 Ca\n0.000000 0.766563 0.766563 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ca-Ga-Hg",
"density": 0.42067361559243605,
"density_atomic": 0.0028913892275679205,
"volume": 1383.4180337472526,
"volume_molar": 208.27845322870965,
"formula_full": "Ca2 Ga1 Hg1",
"formula_reduced": "Ca2GaHg",
"formula_anonymous": "ABC2",
"energy": -3.12074854,
"energy_per_atom": -0.780187135,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:25.736000Z",
"spacegroup": 71
},
{
"id": "mp-1096378",
"created_at": "2022-09-04T14:39:21.373829Z",
"structure_string": "Sr1 Hg2 Bi1\n1.0\n-6.045760 6.446940 9.041174\n6.045760 -6.446940 9.041174\n6.045760 6.446940 -9.041174\nSr Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.261840 0.261840 Hg\n0.000000 0.738160 0.738160 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Sr",
"density": 0.8220126742627188,
"density_atomic": 0.002837727189026709,
"volume": 1409.5787697519754,
"volume_molar": 212.21704409385066,
"formula_full": "Sr1 Hg2 Bi1",
"formula_reduced": "SrHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.12091105,
"energy_per_atom": -0.7802277625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -3.12091105,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.9992635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.872000Z",
"spacegroup": 71
},
{
"id": "mp-1186775",
"created_at": "2022-09-04T14:44:05.868327Z",
"structure_string": "Sr1 Yb1\n1.0\n2.067619 -3.581222 0.000000\n2.067619 3.581222 0.000000\n0.000000 0.000000 6.534520\nSr Yb\n1 1\ndirect\n0.333333 0.666667 0.500000 Sr\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Yb"
],
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"density": 4.4727852084967,
"density_atomic": 0.02066733839033338,
"volume": 96.77104822241886,
"volume_molar": 29.13844369440771,
"formula_full": "Sr1 Yb1",
"formula_reduced": "SrYb",
"formula_anonymous": "AB",
"energy": -3.12770747,
"energy_per_atom": -1.563853735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.12770747,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.004000Z",
"spacegroup": 187
},
{
"id": "mp-1095781",
"created_at": "2022-09-04T14:43:01.198516Z",
"structure_string": "Ba2 Mg1 In1\n1.0\n-7.119667 7.256252 9.501031\n7.119667 -7.256252 9.501031\n7.119667 7.256252 -9.501031\nBa Mg In\n2 1 1\ndirect\n0.732615 0.000000 0.732615 Ba\n0.267385 0.000000 0.267385 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 0.3499553839748595,
"density_atomic": 0.002037310515320815,
"volume": 1963.3727749989648,
"volume_molar": 295.5926803848893,
"formula_full": "Ba2 Mg1 In1",
"formula_reduced": "Ba2MgIn",
"formula_anonymous": "ABC2",
"energy": -3.14161037,
"energy_per_atom": -0.7854025925,
"energy_above_hull": null,
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"energy_uncorrected": -3.14161037,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:01.673000Z",
"spacegroup": 71
},
{
"id": "mp-1093809",
"created_at": "2022-09-04T14:48:23.004610Z",
"structure_string": "Na1 Hg2 Pb1\n1.0\n-5.987376 6.065027 8.784337\n5.987376 -6.065027 8.784337\n5.987376 6.065027 -8.784337\nNa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.249769 0.249769 Hg\n0.000000 0.750231 0.750231 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Na-Pb",
"density": 0.8216647017492857,
"density_atomic": 0.0031348859156246247,
"volume": 1275.9634984046945,
"volume_molar": 192.10079480037766,
"formula_full": "Na1 Hg2 Pb1",
"formula_reduced": "NaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -3.14733028,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:11.197000Z",
"spacegroup": 71
},
{
"id": "mp-1093603",
"created_at": "2022-09-04T14:40:15.814535Z",
"structure_string": "Ba2 Zn1 In1\n1.0\n-6.703487 7.025847 9.288618\n6.703487 -7.025847 9.288618\n6.703487 7.025847 -9.288618\nBa Zn In\n2 1 1\ndirect\n0.740505 0.000000 0.740505 Ba\n0.259495 0.000000 0.259495 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Zn",
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"chemical_system": "Ba-In-Zn",
"density": 0.43165456785755274,
"density_atomic": 0.002285858998932451,
"volume": 1749.8892109566218,
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"formula_full": "Ba2 Zn1 In1",
"formula_reduced": "Ba2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.15202952,
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"updated_at": "2021-11-28T01:34:54.327000Z",
"spacegroup": 71
},
{
"id": "mp-1095988",
"created_at": "2022-09-04T14:48:31.422714Z",
"structure_string": "Sr2 Ag1 Hg1\n1.0\n-6.638186 6.764533 9.372280\n6.638186 -6.764533 9.372280\n6.638186 6.764533 -9.372280\nSr Ag Hg\n2 1 1\ndirect\n0.765198 0.000000 0.765198 Sr\n0.234802 0.000000 0.234802 Sr\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.47712380556366263,
"density_atomic": 0.0023761152868000753,
"volume": 1683.4200016392374,
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"formula_full": "Sr2 Ag1 Hg1",
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"energy": -3.15474278,
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"updated_at": "2021-11-28T01:39:53.825000Z",
"spacegroup": 71
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{
"id": "mp-1096371",
"created_at": "2022-09-04T14:45:34.052677Z",
"structure_string": "Mg2 Ag1 Hg1\n1.0\n-5.564453 5.931409 8.383128\n5.564453 -5.931409 8.383128\n5.564453 5.931409 -8.383128\nMg Ag Hg\n2 1 1\ndirect\n0.000000 0.240443 0.240443 Mg\n0.000000 0.759557 0.759557 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Hg-Mg",
"density": 0.5357397031516079,
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"volume": 1106.7421213184778,
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"formula_full": "Mg2 Ag1 Hg1",
"formula_reduced": "Mg2AgHg",
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"energy": -3.1584684,
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"updated_at": "2021-11-28T01:37:04.854000Z",
"spacegroup": 71
}
]
}