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{
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"results": [
{
"id": "jvasp-55711",
"created_at": "2022-09-04T14:38:11.487150Z",
"updated_at": "2022-09-04T14:38:11.487171Z",
"structure_string": "K6 Al2 H12\n1.0\n0.000000 6.014527 0.007093\n5.966172 0.000000 0.000000\n0.000000 -5.920619 -8.478631\nK Al H\n6 2 12\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.756791 0.977766 0.252377 K\n0.243209 0.477767 0.247623 K\n0.243209 0.022233 0.747623 K\n0.756791 0.522233 0.752377 K\n-0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.267433 0.488150 0.704630 H\n0.732568 0.988150 0.795370 H\n0.198234 0.679219 0.466476 H\n0.801766 0.179219 0.033524 H\n0.801766 0.320780 0.533524 H\n0.139085 0.237653 0.966075 H\n0.860915 0.762347 0.033925 H\n0.139085 0.262347 0.466075 H\n0.267433 0.011849 0.204630 H\n0.860915 0.737653 0.533925 H\n0.198234 0.820780 0.966476 H\n0.732568 0.511849 0.295370 H\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "K6 Al2 H12",
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{
"id": "jvasp-104629",
"created_at": "2022-09-04T14:36:48.285133Z",
"updated_at": "2022-09-04T14:36:48.285158Z",
"structure_string": "Yb1 Al1 Hg2\n1.0\n4.333884 -0.000000 2.502169\n1.444628 4.086025 2.502169\n-0.000000 -0.000000 5.004338\nYb Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500001 Al\n0.250000 0.250000 0.250000 Hg\n0.750000 0.749999 0.750001 Hg\n",
"nsites": 4,
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"density": 11.265338439641447,
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"volume": 88.61861071411383,
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"formula_full": "Yb1 Al1 Hg2",
"formula_reduced": "YbAlHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2673",
"created_at": "2022-09-04T14:36:47.948473Z",
"updated_at": "2022-09-04T14:36:47.948492Z",
"structure_string": "Al2 Hg1 Te4\n1.0\n5.685128 -0.000000 -2.525291\n-1.121716 5.573368 -2.525292\n-0.110837 -0.135367 7.412516\nAl Hg Te\n2 1 4\ndirect\n0.249999 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.861367 0.886967 0.279134 Te\n0.417766 0.392168 0.279133 Te\n0.113033 0.582233 0.720867 Te\n0.607832 0.138632 0.720867 Te\n",
"nsites": 7,
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"elements": [
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"Hg",
"Te"
],
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"density": 5.499301656317094,
"density_atomic": 0.030305516453501474,
"volume": 230.98104962970285,
"volume_molar": 19.871434196608806,
"formula_full": "Al2 Hg1 Te4",
"formula_reduced": "Al2HgTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8178101809523809,
"spacegroup": 82
},
{
"id": "jvasp-2205",
"created_at": "2022-09-04T14:36:52.221947Z",
"updated_at": "2022-09-04T14:36:52.221975Z",
"structure_string": "Al2 Hg1 Se4\n1.0\n5.259263 0.000000 -2.467332\n-1.157525 5.130301 -2.467332\n-0.011502 -0.014386 6.814363\nAl Hg Se\n2 1 4\ndirect\n0.250001 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.125499 0.137045 0.719984 Se\n0.594486 0.582938 0.719984 Se\n0.862954 0.405514 0.280016 Se\n0.417062 0.874501 0.280016 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Hg",
"Se"
],
"chemical_system": "Al-Hg-Se",
"density": 5.161942175140547,
"density_atomic": 0.03814941053617281,
"volume": 183.48907366111686,
"volume_molar": 15.785671850132205,
"formula_full": "Al2 Hg1 Se4",
"formula_reduced": "Al2HgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0826605238095235,
"spacegroup": 82
},
{
"id": "jvasp-61120",
"created_at": "2022-09-04T14:35:44.167435Z",
"updated_at": "2022-09-04T14:35:44.167445Z",
"structure_string": "Al4 Hg2 Se8\n1.0\n0.000000 5.483360 5.483360\n5.483360 -0.000000 5.483360\n5.483360 5.483360 0.000000\nAl Hg Se\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.875000 0.875000 0.375000 Hg\n0.125000 0.125000 0.625000 Hg\n0.735527 0.735527 0.793418 Se\n0.293418 0.735527 0.235527 Se\n0.735527 0.735527 0.235527 Se\n0.735527 0.293418 0.235527 Se\n0.706582 0.264473 0.764473 Se\n0.264473 0.264473 0.206582 Se\n0.264473 0.264473 0.764473 Se\n0.264473 0.706582 0.764473 Se\n",
"nsites": 14,
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"elements": [
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"Hg",
"Se"
],
"chemical_system": "Al-Hg-Se",
"density": 5.744907818120834,
"density_atomic": 0.042457826804306105,
"volume": 329.73896814191414,
"volume_molar": 14.183817715769734,
"formula_full": "Al4 Hg2 Se8",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0897776666666663,
"spacegroup": 227
},
{
"id": "jvasp-80209",
"created_at": "2022-09-04T14:37:06.769160Z",
"updated_at": "2022-09-04T14:37:06.769174Z",
"structure_string": "Sc2 Al1 Hg1\n1.0\n-10.162927 0.000000 -5.867569\n-6.605436 0.208367 -0.294187\n-5.687679 2.804174 -1.883788\nSc Al Hg\n2 1 1\ndirect\n0.747827 0.000000 -0.000000 Sc\n0.252173 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 -0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Al",
"Hg"
],
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"density": 5.416269013012284,
"density_atomic": 0.04109511016204435,
"volume": 97.33518134462675,
"volume_molar": 14.654154073936708,
"formula_full": "Sc2 Al1 Hg1",
"formula_reduced": "Sc2AlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3934219750000003,
"spacegroup": 71
},
{
"id": "jvasp-116919",
"created_at": "2022-09-04T14:38:47.070806Z",
"updated_at": "2022-09-04T14:38:47.070845Z",
"structure_string": "Al4 Hg2 S8\n1.0\n6.361134 -0.000000 3.672602\n2.120378 5.997335 3.672602\n0.000000 -0.000000 7.345205\nAl Hg S\n4 2 8\ndirect\n0.125000 0.625000 0.624999 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.624999 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.828640 0.390453 0.390453 S\n0.390454 0.828640 0.390453 S\n0.390453 0.390453 0.828640 S\n0.390453 0.390453 0.390453 S\n0.421360 0.859546 0.859546 S\n0.859546 0.421359 0.859546 S\n0.859547 0.859546 0.421359 S\n0.859547 0.859546 0.859546 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Hg",
"S"
],
"chemical_system": "Al-Hg-S",
"density": 4.537003188565374,
"density_atomic": 0.04996101603314323,
"volume": 280.2184805591755,
"volume_molar": 12.053679524861987,
"formula_full": "Al4 Hg2 S8",
"formula_reduced": "Al2HgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3824271714285716,
"spacegroup": 227
},
{
"id": "jvasp-2661",
"created_at": "2022-09-04T14:36:34.390667Z",
"updated_at": "2022-09-04T14:36:34.390691Z",
"structure_string": "Al2 Hg1 S4\n1.0\n5.040914 -0.000000 -2.377590\n-1.121410 4.914595 -2.377590\n-0.025778 -0.032322 6.477960\nAl Hg S\n2 1 4\ndirect\n0.250000 0.750001 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.865948 0.861013 0.275275 S\n0.409327 0.414264 0.275275 S\n0.138988 0.590674 0.724725 S\n0.585736 0.134052 0.724725 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Hg",
"S"
],
"chemical_system": "Al-Hg-S",
"density": 3.9801762858996694,
"density_atomic": 0.043829295014766886,
"volume": 159.71053145257235,
"volume_molar": 13.739990018025686,
"formula_full": "Al2 Hg1 S4",
"formula_reduced": "Al2HgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3813443142857145,
"spacegroup": 82
},
{
"id": "jvasp-50439",
"created_at": "2022-09-04T14:37:08.460116Z",
"updated_at": "2022-09-04T14:37:08.460143Z",
"structure_string": "Al4 Hg2 O8\n1.0\n0.000000 4.270181 4.270181\n-4.270289 4.270181 0.000000\n-0.000000 -4.270181 4.270181\nAl Hg O\n4 2 8\ndirect\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.375000 0.250000 0.875000 Al\n0.375000 0.250000 0.375000 Al\n0.750000 0.500000 0.750000 Hg\n0.000000 0.000000 0.000000 Hg\n0.602491 0.795018 0.602497 O\n0.602491 0.795018 0.192521 O\n0.147509 0.704982 0.147503 O\n0.147509 0.704982 0.557480 O\n0.557479 0.295018 0.147509 O\n0.147503 0.295018 0.147509 O\n0.602497 0.204982 0.602491 O\n0.192520 0.204982 0.602491 O\n",
"nsites": 14,
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"elements": [
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"Hg",
"O"
],
"chemical_system": "Al-Hg-O",
"density": 6.79325308574738,
"density_atomic": 0.08989762216825972,
"volume": 155.7327064090356,
"volume_molar": 6.69888770664976,
"formula_full": "Al4 Hg2 O8",
"formula_reduced": "Al2HgO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5123020285714286,
"spacegroup": 227
},
{
"id": "jvasp-81149",
"created_at": "2022-09-04T14:36:47.719743Z",
"updated_at": "2022-09-04T14:36:47.719773Z",
"structure_string": "Li1 Al1 Hg2\n1.0\n-10.376453 3.523404 -3.499462\n-6.917812 0.649650 0.779906\n-5.978909 4.823906 -2.475710\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000001 Al\n0.753147 -0.007563 0.003618 Hg\n0.246853 0.007563 -0.003619 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Hg-Li",
"density": 8.795856664238851,
"density_atomic": 0.048696463252614716,
"volume": 82.14148898760575,
"volume_molar": 12.366690222983793,
"formula_full": "Li1 Al1 Hg2",
"formula_reduced": "LiAlHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-99989",
"created_at": "2022-09-04T14:36:36.531420Z",
"updated_at": "2022-09-04T14:36:36.531446Z",
"structure_string": "Hf1 Al2 Zn1\n1.0\n4.079023 0.000000 0.000000\n-0.000000 4.079023 0.000000\n-0.000000 0.000000 4.030790\nHf Al Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Zn\n",
"nsites": 4,
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],
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"density": 7.374996703999595,
"density_atomic": 0.05964272953290194,
"volume": 67.06601175577315,
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"formula_full": "Hf1 Al2 Zn1",
"formula_reduced": "HfAl2Zn",
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"energy_above_hull": 1.72205475,
"spacegroup": 123
},
{
"id": "jvasp-102208",
"created_at": "2022-09-04T14:36:34.948302Z",
"updated_at": "2022-09-04T14:36:34.948317Z",
"structure_string": "Hf2 Al2 Zn2\n1.0\n4.554164 0.004209 -2.555474\n-1.515432 4.242134 -2.641709\n0.006683 -0.004209 5.222145\nHf Al Zn\n2 2 2\ndirect\n0.123159 0.873159 0.250000 Hf\n0.876841 0.126841 0.750001 Hf\n0.500000 0.500000 -0.000000 Al\n-0.000000 0.499999 0.500000 Al\n0.499999 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n",
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],
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"volume": 100.92731759903286,
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"formula_full": "Hf2 Al2 Zn2",
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"formula_anonymous": "ABC",
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"spacegroup": 74
}
]
}