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{
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"results": [
{
"id": "jvasp-96782",
"created_at": "2022-09-04T14:35:58.348785Z",
"updated_at": "2022-09-04T14:35:58.348803Z",
"structure_string": "Al4 Ga4 Cl16\n1.0\n7.148255 0.187942 0.000000\n-0.269104 9.413469 0.000000\n0.000000 0.000000 9.492050\nAl Ga Cl\n4 4 16\ndirect\n0.250083 0.682970 0.499777 Al\n0.249918 0.817030 0.999777 Al\n0.749918 0.317030 0.500223 Al\n0.750083 0.182970 0.000223 Al\n0.823792 0.750182 0.749878 Ga\n0.676210 0.749818 0.249878 Ga\n0.176209 0.249818 0.250122 Ga\n0.323791 0.250182 0.750122 Ga\n0.669003 0.053301 0.822175 Cl\n0.830998 0.446699 0.322175 Cl\n0.509029 0.184419 0.456331 Cl\n-0.009029 0.315581 -0.043669 Cl\n0.490972 0.815581 0.543669 Cl\n0.009029 0.684419 0.043669 Cl\n0.830691 0.053485 0.178390 Cl\n0.010020 0.815582 0.455900 Cl\n0.169310 0.946515 0.821610 Cl\n0.330691 0.553486 0.321610 Cl\n0.169003 0.553301 0.677825 Cl\n0.489981 0.684418 0.955900 Cl\n0.989981 0.184418 0.544100 Cl\n0.510020 0.315582 0.044100 Cl\n0.669310 0.446514 0.678390 Cl\n0.330998 0.946699 0.177825 Cl\n",
"nsites": 24,
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],
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"volume": 639.1989449106635,
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"formula_full": "Al4 Ga4 Cl16",
"formula_reduced": "AlGaCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 52
},
{
"id": "jvasp-32676",
"created_at": "2022-09-04T14:36:35.589598Z",
"updated_at": "2022-09-04T14:36:35.589610Z",
"structure_string": "As4 Pb8 S12 I2 Cl2\n1.0\n6.723105 0.000000 0.000000\n0.000000 9.505021 0.000000\n0.000000 0.000000 11.668810\nAs Pb S I Cl\n4 8 12 2 2\ndirect\n0.500000 0.951416 0.172848 As\n0.000000 0.451416 0.827152 As\n0.500000 0.521620 0.671820 As\n0.000000 0.021620 0.328180 As\n0.500000 0.177987 0.874240 Pb\n0.000000 0.272787 0.570737 Pb\n0.500000 0.717167 0.915363 Pb\n0.000000 0.791781 0.624607 Pb\n0.500000 0.772787 0.429263 Pb\n0.000000 0.677987 0.125760 Pb\n0.500000 0.291782 0.375393 Pb\n0.000000 0.217168 0.084637 Pb\n0.248759 0.905830 0.046284 S\n0.000000 0.784669 0.349659 S\n0.751142 0.070396 0.455991 S\n0.500000 0.284669 0.650341 S\n0.500000 0.189353 0.151361 S\n0.251241 0.405830 0.953716 S\n0.248859 0.070396 0.455991 S\n0.000000 0.689353 0.848639 S\n0.748859 0.570396 0.544009 S\n0.251141 0.570396 0.544009 S\n0.748759 0.405830 0.953716 S\n0.751242 0.905830 0.046284 S\n0.000000 0.083049 0.794799 I\n0.500000 0.583049 0.205201 I\n0.500000 0.876027 0.709066 Cl\n0.000000 0.376027 0.290934 Cl\n",
"nsites": 28,
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"elements": [
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"Pb",
"S",
"I",
"Cl"
],
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"density": 5.938639490929958,
"density_atomic": 0.0375498743586436,
"volume": 745.6749317605822,
"volume_molar": 16.037712143805788,
"formula_full": "As4 Pb8 S12 I2 Cl2",
"formula_reduced": "As2Pb4S6ICl",
"formula_anonymous": "ABC2D4E6",
"energy_above_hull": 1.442392651607143,
"spacegroup": 31
},
{
"id": "jvasp-81186",
"created_at": "2022-09-04T14:37:17.648809Z",
"updated_at": "2022-09-04T14:37:17.648838Z",
"structure_string": "Ca1 Y1 Ag2\n1.0\n-10.060560 0.000000 -5.808467\n-6.654888 0.317907 -0.090330\n-5.721679 2.957421 -1.706696\nCa Y Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 0.000000 Y\n0.749027 -0.000001 0.000000 Ag\n0.250974 -0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Y",
"Ag"
],
"chemical_system": "Ag-Ca-Y",
"density": 5.3736492820073325,
"density_atomic": 0.03755030043324037,
"volume": 106.52378153702095,
"volume_molar": 16.037530167585736,
"formula_full": "Ca1 Y1 Ag2",
"formula_reduced": "CaYAg2",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-2041",
"created_at": "2022-09-04T14:36:30.518541Z",
"updated_at": "2022-09-04T14:36:30.518569Z",
"structure_string": "Mn1 Br2\n1.0\n1.926449 -3.336708 0.000000\n1.926449 3.336708 0.000000\n0.000000 -0.000000 6.214440\nMn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.243508 Br\n0.666667 0.333333 0.756492 Br\n",
"nsites": 3,
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"elements": [
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"Br"
],
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"density": 4.463407695481253,
"density_atomic": 0.0375503112349439,
"volume": 79.89281317083288,
"volume_molar": 16.037525554237916,
"formula_full": "Mn1 Br2",
"formula_reduced": "MnBr2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-102672",
"created_at": "2022-09-04T14:36:54.648258Z",
"updated_at": "2022-09-04T14:36:54.648284Z",
"structure_string": "Sr1 Zn1 In3\n1.0\n4.407095 0.000761 -5.329168\n-0.570334 4.370035 -5.329168\n-0.000668 -0.000761 6.915383\nSr Zn In\n1 1 3\ndirect\n0.005251 0.005251 0.000000 Sr\n0.614008 0.614007 0.000001 Zn\n0.741696 0.241696 0.500000 In\n0.241696 0.741696 0.500001 In\n0.397353 0.397352 0.000001 In\n",
"nsites": 5,
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"elements": [
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"Zn",
"In"
],
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"density": 6.204125085057433,
"density_atomic": 0.037551147041983736,
"volume": 133.15172488365783,
"volume_molar": 16.037168593723646,
"formula_full": "Sr1 Zn1 In3",
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"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-51594",
"created_at": "2022-09-04T14:37:27.395488Z",
"updated_at": "2022-09-04T14:37:27.395509Z",
"structure_string": "Dy10 Ni2 Pb6\n1.0\n4.554748 -7.889055 0.000000\n4.554748 7.889055 -0.000000\n0.000000 0.000000 6.670062\nDy Ni Pb\n10 2 6\ndirect\n0.000000 0.239252 0.250000 Dy\n0.239252 0.000000 0.250000 Dy\n0.333333 0.666667 0.000000 Dy\n0.760748 0.000000 0.750000 Dy\n0.666667 0.333333 0.500000 Dy\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.500000 Dy\n0.760748 0.760748 0.250000 Dy\n0.239252 0.239252 0.750000 Dy\n0.000000 0.760748 0.750000 Dy\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.600977 0.000000 0.250000 Pb\n0.000000 0.600977 0.250000 Pb\n0.000000 0.399023 0.750000 Pb\n0.399023 0.399023 0.250000 Pb\n0.399023 0.000000 0.750000 Pb\n0.600977 0.600977 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ni",
"Pb"
],
"chemical_system": "Dy-Ni-Pb",
"density": 10.34259682338282,
"density_atomic": 0.0375511551191732,
"volume": 479.34610647461545,
"volume_molar": 16.03716514415601,
"formula_full": "Dy10 Ni2 Pb6",
"formula_reduced": "Dy5NiPb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.0980308177777778,
"spacegroup": 193
},
{
"id": "jvasp-2068",
"created_at": "2022-09-04T14:36:47.693902Z",
"updated_at": "2022-09-04T14:36:47.693922Z",
"structure_string": "Mg1 Br2\n1.0\n1.922924 -3.330603 0.000000\n1.922924 3.330603 0.000000\n0.000000 0.000000 6.236984\nMg Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.240904 Br\n0.666666 0.333332 0.759095 Br\n",
"nsites": 3,
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"elements": [
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"Br"
],
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"density": 3.82687201186562,
"density_atomic": 0.03755187618569576,
"volume": 79.88948368824134,
"volume_molar": 16.036857200477108,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-60706",
"created_at": "2022-09-04T14:36:21.801213Z",
"updated_at": "2022-09-04T14:36:21.801234Z",
"structure_string": "Cu4 Hg4 Se4 Br4\n1.0\n4.328943 0.000000 0.000000\n0.000000 9.806193 0.000000\n0.000000 -0.000000 10.036397\nCu Hg Se Br\n4 4 4 4\ndirect\n0.000000 0.216396 0.107811 Cu\n0.000000 0.216396 0.392189 Cu\n0.000000 0.783603 0.607811 Cu\n0.000000 0.783603 0.892189 Cu\n0.500000 0.784143 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.215857 0.750000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.759412 0.503833 Se\n0.500000 0.240587 0.496167 Se\n0.500000 0.759412 -0.003833 Se\n0.500000 0.240587 0.003833 Se\n0.000000 0.987624 0.750000 Br\n0.000000 0.012375 0.250000 Br\n0.000000 0.553478 0.750000 Br\n0.000000 0.446522 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Hg",
"Se",
"Br"
],
"chemical_system": "Br-Cu-Hg-Se",
"density": 6.594613089476127,
"density_atomic": 0.03755431517379472,
"volume": 426.0495744884399,
"volume_molar": 16.03581567692181,
"formula_full": "Cu4 Hg4 Se4 Br4",
"formula_reduced": "CuHgSeBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-117777",
"created_at": "2022-09-04T14:38:51.494060Z",
"updated_at": "2022-09-04T14:38:51.494073Z",
"structure_string": "Cd1 Se1 Br1\n1.0\n5.266949 -0.000000 -0.000000\n-2.633475 4.561312 0.000000\n0.000000 -0.000000 3.324909\nCd Se Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"Se",
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],
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"density": 5.639365114359407,
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"volume": 79.87827107432898,
"volume_molar": 16.034606402501517,
"formula_full": "Cd1 Se1 Br1",
"formula_reduced": "CdSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0361966666666666,
"spacegroup": 187
},
{
"id": "jvasp-106201",
"created_at": "2022-09-04T14:38:15.720483Z",
"updated_at": "2022-09-04T14:38:15.720502Z",
"structure_string": "K2 Li1 Dy1 Cl6\n1.0\n6.253708 0.000000 3.610580\n2.084569 5.896052 3.610580\n0.000000 0.000000 7.221159\nK Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.744650 0.255350 0.255350 Cl\n0.255351 0.255350 0.744650 Cl\n0.255351 0.744649 0.744650 Cl\n0.255351 0.744649 0.255351 Cl\n0.744650 0.255350 0.744649 Cl\n0.744650 0.744649 0.255351 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.871023293075713,
"density_atomic": 0.037557284851353234,
"volume": 266.25992905447447,
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"formula_full": "K2 Li1 Dy1 Cl6",
"formula_reduced": "K2LiDyCl6",
"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-117636",
"created_at": "2022-09-04T14:38:51.756400Z",
"updated_at": "2022-09-04T14:38:51.756423Z",
"structure_string": "Y1 Be1 Br1\n1.0\n5.142576 -0.000000 -0.000000\n-2.571288 4.453601 0.000000\n-0.000000 -0.000000 3.487587\nY Be Br\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Be\n0.333332 0.666666 0.000000 Br\n",
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"formula_full": "Y1 Be1 Br1",
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},
{
"id": "jvasp-79582",
"created_at": "2022-09-04T14:37:12.589113Z",
"updated_at": "2022-09-04T14:37:12.589123Z",
"structure_string": "Sb2 S2\n1.0\n2.704086 -3.034872 0.100933\n-3.168137 -2.889360 -2.016785\n-2.332104 -2.325504 -7.653739\nSb S\n2 2\ndirect\n0.750155 0.106714 0.653363 Sb\n0.249845 0.893284 0.346638 Sb\n0.250272 0.569591 0.755724 S\n0.749728 0.430407 0.244276 S\n",
"nsites": 4,
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]
}