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{
"id": "mp-1064865",
"created_at": "2022-09-04T14:40:18.619783Z",
"structure_string": "Ba2 Sr1 Np1\n1.0\n0.000000 4.663540 4.663540\n4.663540 0.000000 4.663540\n4.663540 4.663540 0.000000\nBa Sr Np\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Np\n",
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{
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{
"id": "mp-1228125",
"created_at": "2022-09-04T14:39:35.098374Z",
"structure_string": "Ba2 Cd2 Pb2\n1.0\n2.715811 6.175741 0.000000\n-2.715811 6.175741 0.000000\n0.000000 5.964459 6.196330\nBa Cd Pb\n2 2 2\ndirect\n0.541298 0.541298 0.207612 Ba\n0.458702 0.458702 0.792388 Ba\n0.158055 0.158055 0.400056 Cd\n0.841945 0.841945 0.599944 Cd\n0.834671 0.834671 0.226364 Pb\n0.165329 0.165329 0.773636 Pb\n",
"nsites": 6,
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"elements": [
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"Cd",
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],
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"density": 7.301014613136362,
"density_atomic": 0.028866763788294093,
"volume": 207.85149468098984,
"volume_molar": 20.861849302421867,
"formula_full": "Ba2 Cd2 Pb2",
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"formula_anonymous": "ABC",
"energy": -15.820785360000002,
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"updated_at": "2021-11-28T01:34:36.234000Z",
"spacegroup": 12
},
{
"id": "mp-1096085",
"created_at": "2022-09-04T14:45:58.902456Z",
"structure_string": "Mn1 Be1 Co2\n1.0\n-4.548336 4.758656 6.927035\n4.548336 -4.758656 6.927035\n4.548336 4.758656 -6.927035\nMn Be Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.233853 0.233853 Co\n0.000000 0.766147 0.766147 Co\n",
"nsites": 4,
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"elements": [
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"Be",
"Co"
],
"chemical_system": "Be-Co-Mn",
"density": 0.5034292509043184,
"density_atomic": 0.00666984539195306,
"volume": 599.7140510671901,
"volume_molar": 90.28906078191118,
"formula_full": "Mn1 Be1 Co2",
"formula_reduced": "MnBeCo2",
"formula_anonymous": "ABC2",
"energy": -15.82045079,
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"updated_at": "2021-11-28T01:37:14.773000Z",
"spacegroup": 71
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{
"id": "mp-865080",
"created_at": "2022-09-04T14:47:21.040057Z",
"structure_string": "Na1 Ce1 Au2\n1.0\n0.000000 3.608377 3.608377\n3.608377 0.000000 3.608377\n3.608377 3.608377 0.000000\nNa Ce Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Au-Ce-Na",
"density": 9.84393900839368,
"density_atomic": 0.042569081324216836,
"volume": 93.96491245688375,
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"formula_full": "Na1 Ce1 Au2",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:07.134000Z",
"spacegroup": 225
},
{
"id": "mp-13427",
"created_at": "2022-09-04T14:45:13.188288Z",
"structure_string": "Sr6 Hg4\n1.0\n9.072015 0.000000 0.000000\n0.000000 9.072015 0.000000\n0.000000 0.000000 4.558525\nSr Hg\n6 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.345692 0.845692 0.500000 Sr\n0.845692 0.654308 0.500000 Sr\n0.654308 0.154308 0.500000 Sr\n0.154308 0.345692 0.500000 Sr\n0.142765 0.642765 0.000000 Hg\n0.642765 0.857235 0.000000 Hg\n0.357235 0.142765 0.000000 Hg\n0.857235 0.357235 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Sr",
"density": 5.878160957259461,
"density_atomic": 0.02665435267964731,
"volume": 375.1732454427897,
"volume_molar": 22.59346093442508,
"formula_full": "Sr6 Hg4",
"formula_reduced": "Sr3Hg2",
"formula_anonymous": "A2B3",
"energy": -15.817106380000002,
"energy_per_atom": -1.5817106380000001,
"energy_above_hull": null,
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"formation_energy": null,
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"total_magnetization": 0.0001434,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.815000Z",
"spacegroup": 127
},
{
"id": "mp-1013713",
"created_at": "2022-09-04T14:48:14.165872Z",
"structure_string": "Ba3 Bi1 P1\n1.0\n6.562986 0.000000 0.000000\n0.000000 6.562986 0.000000\n0.000000 0.000000 6.562986\nBa Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 3.829561683943,
"density_atomic": 0.017687464077736897,
"volume": 282.6860864861611,
"volume_molar": 34.047508074263924,
"formula_full": "Ba3 Bi1 P1",
"formula_reduced": "Ba3BiP",
"formula_anonymous": "ABC3",
"energy": -15.81675793,
"energy_per_atom": -3.163351586,
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"energy_uncorrected": -15.81675793,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.183000Z",
"spacegroup": 221
},
{
"id": "mp-998610",
"created_at": "2022-09-04T14:42:12.381006Z",
"structure_string": "Tl1 Ag1 Cl3\n1.0\n5.126083 0.000000 0.000000\n0.000000 5.126083 0.000000\n0.000000 0.000000 5.130441\nTl Ag Cl\n1 1 3\ndirect\n0.000000 0.000000 0.999137 Tl\n0.500000 0.500000 0.485559 Ag\n0.000000 0.500000 0.483506 Cl\n0.500000 0.500000 0.985423 Cl\n0.500000 0.000000 0.483506 Cl\n",
"nsites": 5,
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"elements": [
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"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Tl",
"density": 5.156241496471542,
"density_atomic": 0.03708890734350362,
"volume": 134.8111971509936,
"volume_molar": 16.237040105347887,
"formula_full": "Tl1 Ag1 Cl3",
"formula_reduced": "TlAgCl3",
"formula_anonymous": "ABC3",
"energy": -15.81578915,
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"energy_above_hull": null,
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"energy_uncorrected": -13.97378915,
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"updated_at": "2021-11-28T01:35:45.616000Z",
"spacegroup": 99
},
{
"id": "mp-1184218",
"created_at": "2022-09-04T14:39:58.342500Z",
"structure_string": "Ga3 Pt1\n1.0\n0.000000 3.237623 3.237623\n3.237623 0.000000 3.237623\n3.237623 3.237623 0.000000\nGa Pt\n3 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
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"chemical_system": "Ga-Pt",
"density": 9.889936963391648,
"density_atomic": 0.05893199805236191,
"volume": 67.87484104044705,
"volume_molar": 10.218796170204925,
"formula_full": "Ga3 Pt1",
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"formula_anonymous": "AB3",
"energy": -15.81538448,
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"updated_at": "2021-11-28T01:34:45.239000Z",
"spacegroup": 225
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{
"id": "mp-568722",
"created_at": "2022-09-04T14:47:12.543174Z",
"structure_string": "Cd2 Br4\n1.0\n13.621343 -2.034870 0.000000\n13.621343 2.034870 0.000000\n13.317357 0.000000 3.511365\nCd Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.205362 0.205362 0.205362 Br\n0.794638 0.794638 0.794638 Br\n0.627972 0.627972 0.627972 Br\n0.372028 0.372028 0.372028 Br\n",
"nsites": 6,
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"elements": [
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"density": 4.644457120818816,
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"volume": 194.65365807536725,
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"formula_full": "Cd2 Br4",
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"updated_at": "2021-11-28T01:37:58.367000Z",
"spacegroup": 166
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{
"id": "mp-975893",
"created_at": "2022-09-04T14:43:07.911806Z",
"structure_string": "Pr1 Mg1 Au2\n1.0\n0.000000 3.576285 3.576285\n3.576285 0.000000 3.576285\n3.576285 3.576285 0.000000\nPr Mg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"volume": 91.48004279176989,
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"formula_full": "Pr1 Mg1 Au2",
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"updated_at": "2021-11-28T01:36:06.863000Z",
"spacegroup": 225
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{
"id": "mp-1094512",
"created_at": "2022-09-04T14:42:44.116212Z",
"structure_string": "Mg4 Sb2\n1.0\n1.649481 -9.002880 0.000000\n1.649481 9.002880 0.000000\n0.000000 0.000000 4.909574\nMg Sb\n4 2\ndirect\n0.997312 0.002688 0.000000 Mg\n0.336232 0.663768 0.000000 Mg\n0.669568 0.330432 0.000000 Mg\n0.443526 0.556474 0.500000 Mg\n0.793957 0.206043 0.500000 Sb\n0.092738 0.907262 0.500000 Sb\n",
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"density": 3.8803386690684962,
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"volume": 145.81512847411108,
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"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy": -15.81128729,
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"total_magnetization": 8.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.147000Z",
"spacegroup": 38
}
]
}