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{
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{
"id": "mp-1185876",
"created_at": "2022-09-04T14:46:55.181772Z",
"structure_string": "Mg2 Hg4\n1.0\n1.752089 -7.847085 0.000000\n1.752089 7.847085 0.000000\n0.000000 0.000000 5.046328\nMg Hg\n2 4\ndirect\n0.608468 0.391532 0.250000 Mg\n0.391532 0.608468 0.750000 Mg\n0.272160 0.727840 0.250000 Hg\n0.942913 0.057087 0.250000 Hg\n0.727840 0.272160 0.750000 Hg\n0.057087 0.942913 0.750000 Hg\n",
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{
"id": "mp-1093931",
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"structure_string": "Ba2 Cd1 Ag1\n1.0\n-6.961103 7.128764 9.828739\n6.961103 -7.128764 9.828739\n6.961103 7.128764 -9.828739\nBa Cd Ag\n2 1 1\ndirect\n0.766302 0.000000 0.766302 Ba\n0.233698 0.000000 0.233698 Ba\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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"elements": [
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"chemical_system": "Ag-Ba-Cd",
"density": 0.4212555088935082,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.348000Z",
"spacegroup": 71
},
{
"id": "mp-1097210",
"created_at": "2022-09-04T14:48:26.280231Z",
"structure_string": "La1 Cd2 In1\n1.0\n-6.597478 7.534685 10.225967\n6.597478 -7.534685 10.225967\n6.597478 7.534685 -10.225967\nLa Cd In\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.242663 0.242663 Cd\n0.000000 0.757337 0.757337 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-La",
"density": 0.39080928868042775,
"density_atomic": 0.0019672183272885922,
"volume": 2033.3279456140394,
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"formula_full": "La1 Cd2 In1",
"formula_reduced": "LaCd2In",
"formula_anonymous": "ABC2",
"energy": -3.34920711,
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"energy_above_hull": null,
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"energy_uncorrected": -3.34920711,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.126083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.846000Z",
"spacegroup": 71
},
{
"id": "mp-1096555",
"created_at": "2022-09-04T14:45:19.633861Z",
"structure_string": "Ba2 Cd1 Ga1\n1.0\n-6.975542 6.977127 9.839568\n6.975542 -6.977127 9.839568\n6.975542 6.977127 -9.839568\nBa Cd Ga\n2 1 1\ndirect\n0.000000 0.229714 0.229714 Ba\n0.000000 0.770286 0.770286 Ba\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": "Ba-Cd-Ga",
"density": 0.395979930266193,
"density_atomic": 0.0020881869742831087,
"volume": 1915.5372815086312,
"volume_molar": 288.39087850681807,
"formula_full": "Ba2 Cd1 Ga1",
"formula_reduced": "Ba2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.34755636,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:04.578000Z",
"spacegroup": 71
},
{
"id": "mp-1093912",
"created_at": "2022-09-04T14:47:43.942060Z",
"structure_string": "Ca1 Hg2 Bi1\n1.0\n-5.832317 6.324067 8.886011\n5.832317 -6.324067 8.886011\n5.832317 6.324067 -8.886011\nCa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.254806 0.254806 Hg\n0.000000 0.745194 0.745194 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-Ca-Hg",
"density": 0.8236018048195557,
"density_atomic": 0.003051093876047571,
"volume": 1311.0052205871998,
"volume_molar": 197.37644938677414,
"formula_full": "Ca1 Hg2 Bi1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.2208000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.993000Z",
"spacegroup": 71
},
{
"id": "mp-672241",
"created_at": "2022-09-04T14:47:28.577637Z",
"structure_string": "Cs8\n1.0\n10.451807 0.000000 0.000000\n0.000000 10.451807 0.000000\n0.000000 0.000000 8.589615\nCs\n8\ndirect\n0.745934 0.438324 0.000000 Cs\n0.254066 0.561676 0.000000 Cs\n0.561676 0.745934 0.500000 Cs\n0.438324 0.254066 0.500000 Cs\n0.754066 0.938324 0.000000 Cs\n0.245934 0.061676 0.000000 Cs\n0.061676 0.754066 0.500000 Cs\n0.938324 0.245934 0.500000 Cs\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8815918325523924,
"density_atomic": 0.008525768288977678,
"volume": 938.3318580617064,
"volume_molar": 70.63458161049921,
"formula_full": "Cs8",
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"formula_anonymous": "A",
"energy": -6.63945841,
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"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"total_magnetization": 0.040847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.112000Z",
"spacegroup": 135
},
{
"id": "mp-1096382",
"created_at": "2022-09-04T14:44:17.422243Z",
"structure_string": "Ba1 Sn1 Hg2\n1.0\n-6.326122 6.832293 9.645272\n6.326122 -6.832293 9.645272\n6.326122 6.832293 -9.645272\nBa Sn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.228515 0.228515 Hg\n0.000000 0.771485 0.771485 Hg\n",
"nsites": 4,
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"elements": [
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"Sn",
"Hg"
],
"chemical_system": "Ba-Hg-Sn",
"density": 0.654454366548674,
"density_atomic": 0.002398730597482871,
"volume": 1667.5486626957754,
"volume_molar": 251.055319272593,
"formula_full": "Ba1 Sn1 Hg2",
"formula_reduced": "BaSnHg2",
"formula_anonymous": "ABC2",
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"band_gap": 0.1998999999999999,
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"total_magnetization": 1.9992641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.428000Z",
"spacegroup": 71
},
{
"id": "mp-1098699",
"created_at": "2022-09-04T14:41:12.766870Z",
"structure_string": "La2 Mg1 Hg1\n1.0\n-6.203273 6.381342 8.585471\n6.203273 -6.381342 8.585471\n6.203273 6.381342 -8.585471\nLa Mg Hg\n2 1 1\ndirect\n0.742616 0.000000 0.742616 La\n0.257384 0.000000 0.257384 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
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"density": 0.6140533178237924,
"density_atomic": 0.002942408450839323,
"volume": 1359.4305708505556,
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"formula_full": "La2 Mg1 Hg1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"total_magnetization": 0.9284836,
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"updated_at": "2021-11-28T01:35:18.215000Z",
"spacegroup": 71
},
{
"id": "mp-1095790",
"created_at": "2022-09-04T14:43:05.120276Z",
"structure_string": "Mg2 Zn1 Ag1\n1.0\n-5.499054 5.774265 8.148287\n5.499054 -5.774265 8.148287\n5.499054 5.774265 -8.148287\nMg Zn Ag\n2 1 1\ndirect\n0.000000 0.256157 0.256157 Mg\n0.000000 0.743843 0.743843 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Zn",
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"chemical_system": "Ag-Mg-Zn",
"density": 0.356016677593046,
"density_atomic": 0.0038649954501454352,
"volume": 1034.9300669550555,
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"formula_full": "Mg2 Zn1 Ag1",
"formula_reduced": "Mg2ZnAg",
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"updated_at": "2021-11-28T01:35:58.078000Z",
"spacegroup": 71
},
{
"id": "mp-1183210",
"created_at": "2022-09-04T14:40:20.030070Z",
"structure_string": "Ag1 Hg3\n1.0\n4.504894 0.000000 0.000000\n0.000000 4.504894 0.000000\n0.000000 0.000000 4.504894\nAg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Hg",
"density": 12.889389675443114,
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"volume": 91.42263395890336,
"volume_molar": 13.763999258761803,
"formula_full": "Ag1 Hg3",
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"updated_at": "2021-11-28T01:34:48.394000Z",
"spacegroup": 221
},
{
"id": "mp-1096562",
"created_at": "2022-09-04T14:41:59.349222Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n-6.061325 6.065944 8.586862\n6.061325 -6.065944 8.586862\n6.061325 6.065944 -8.586862\nCa Zn Ga\n2 1 1\ndirect\n0.000000 0.263078 0.263078 Ca\n0.000000 0.736922 0.736922 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"density": 0.2830795381878252,
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"volume": 1262.8752217794736,
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"formula_full": "Ca2 Zn1 Ga1",
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"updated_at": "2021-11-28T01:35:33.806000Z",
"spacegroup": 71
},
{
"id": "mp-1096651",
"created_at": "2022-09-04T14:45:42.729894Z",
"structure_string": "Mg2 Cd1 Ag1\n1.0\n-5.643985 5.981177 8.451988\n5.643985 -5.981177 8.451988\n5.643985 5.981177 -8.451988\nMg Cd Ag\n2 1 1\ndirect\n0.000000 0.236818 0.236818 Mg\n0.000000 0.763182 0.763182 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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],
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"density": 0.39122904357131755,
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"volume": 1141.2777975555068,
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"formula_full": "Mg2 Cd1 Ag1",
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"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.483000Z",
"spacegroup": 71
}
]
}