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{
"id": "jvasp-71110",
"created_at": "2022-09-04T14:35:59.157663Z",
"updated_at": "2022-09-04T14:35:59.157681Z",
"structure_string": "Be1 Se2 Br1\n1.0\n3.387417 -0.000000 -0.000000\n-0.000000 3.387417 0.000000\n0.000000 0.000000 7.887947\nBe Se Br\n1 2 1\ndirect\n-0.000000 -0.000000 0.327990 Be\n-0.000000 -0.000000 0.061750 Se\n0.500000 0.500000 0.402526 Se\n0.500000 0.500000 0.707733 Br\n",
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"elements": [
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"density_atomic": 0.04419352891687883,
"volume": 90.51098878126204,
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"formula_full": "Be1 Se2 Br1",
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{
"id": "jvasp-67793",
"created_at": "2022-09-04T14:36:11.891940Z",
"updated_at": "2022-09-04T14:36:11.891969Z",
"structure_string": "Be1 Si2 Br1\n1.0\n-2.482793 2.482793 2.854028\n2.482793 -2.482793 2.854028\n2.482793 2.482793 -2.854028\nBe Si Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.499999 Si\n0.750000 0.250000 0.499999 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Br-Si",
"density": 3.423567521227405,
"density_atomic": 0.05684087384458426,
"volume": 70.37189489621325,
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"formula_full": "Be1 Si2 Br1",
"formula_reduced": "BeSi2Br",
"formula_anonymous": "ABC2",
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"spacegroup": 119
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{
"id": "jvasp-67647",
"created_at": "2022-09-04T14:36:03.287211Z",
"updated_at": "2022-09-04T14:36:03.287243Z",
"structure_string": "Be1 Si1 Br1\n1.0\n-1.693553 1.693553 5.187348\n1.693553 -1.693553 5.187348\n1.693553 1.693553 -5.187348\nBe Si Br\n1 1 1\ndirect\n0.110516 0.110516 0.000000 Be\n0.564297 0.564297 0.000000 Si\n0.325188 0.325188 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Be-Br-Si",
"density": 3.264662134788614,
"density_atomic": 0.05041018534160892,
"volume": 59.511782781004364,
"volume_molar": 11.946277759525085,
"formula_full": "Be1 Si1 Br1",
"formula_reduced": "BeSiBr",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-71212",
"created_at": "2022-09-04T14:35:52.862960Z",
"updated_at": "2022-09-04T14:35:52.862975Z",
"structure_string": "Be1 Sn2 Br1\n1.0\n3.586924 -0.000000 0.000000\n-0.000000 3.586924 0.000000\n-0.000000 -0.000000 7.983160\nBe Sn Br\n1 2 1\ndirect\n0.000000 0.000000 0.398610 Be\n0.000000 0.000000 0.012599 Sn\n0.499999 0.499999 0.321578 Sn\n0.499999 0.499999 0.767213 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Br-Sn",
"density": 5.275882833960954,
"density_atomic": 0.038944022542202,
"volume": 102.71152641372288,
"volume_molar": 15.463581743447431,
"formula_full": "Be1 Sn2 Br1",
"formula_reduced": "BeSn2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7067109012500001,
"spacegroup": 99
},
{
"id": "jvasp-69591",
"created_at": "2022-09-04T14:35:52.704580Z",
"updated_at": "2022-09-04T14:35:52.704599Z",
"structure_string": "Be2 Sn1 Br1\n1.0\n-1.757011 1.757011 7.043441\n1.757011 -1.757011 7.043441\n1.757011 1.757011 -7.043441\nBe Sn Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Sn\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Sn",
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],
"chemical_system": "Be-Br-Sn",
"density": 4.13609620182697,
"density_atomic": 0.0459902910509629,
"volume": 86.97487901451869,
"volume_molar": 13.094374100235042,
"formula_full": "Be2 Sn1 Br1",
"formula_reduced": "Be2SnBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.16544200125,
"spacegroup": 119
},
{
"id": "jvasp-73382",
"created_at": "2022-09-04T14:35:54.876133Z",
"updated_at": "2022-09-04T14:35:54.876155Z",
"structure_string": "Be1 Sn2 Br2\n1.0\n-2.104311 2.104311 8.581944\n2.104311 -2.104311 8.581944\n2.104311 2.104311 -8.581944\nBe Sn Br\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.599409 0.599409 0.000000 Br\n0.400590 0.400590 0.000000 Br\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Be-Br-Sn",
"density": 4.43778703597094,
"density_atomic": 0.03289307580454433,
"volume": 152.00767570995072,
"volume_molar": 18.308232394515123,
"formula_full": "Be1 Sn2 Br2",
"formula_reduced": "Be(SnBr)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-70067",
"created_at": "2022-09-04T14:35:52.845311Z",
"updated_at": "2022-09-04T14:35:52.845331Z",
"structure_string": "Sr1 Be2 Br1\n1.0\n4.336180 0.000000 -0.000000\n-0.000000 4.336180 0.000000\n0.000000 -0.000000 5.795015\nSr Be Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.815188 Be\n0.000000 0.000000 0.184811 Be\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Be",
"Br"
],
"chemical_system": "Be-Br-Sr",
"density": 2.82772426467226,
"density_atomic": 0.03671054422923112,
"volume": 108.96052030781287,
"volume_molar": 16.40438976441219,
"formula_full": "Sr1 Be2 Br1",
"formula_reduced": "SrBe2Br",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-120879",
"created_at": "2022-09-04T14:38:52.464771Z",
"updated_at": "2022-09-04T14:38:52.464795Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n5.478461 -0.000000 -0.000000\n-2.739230 4.744486 0.000000\n0.000000 0.000000 3.857754\nSr Be Br\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sr\n0.000000 0.000000 0.000000 Be\n0.333334 0.666668 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
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],
"chemical_system": "Be-Br-Sr",
"density": 2.9234828679891995,
"density_atomic": 0.02991844246393114,
"volume": 100.27259953845252,
"volume_molar": 20.12852362638907,
"formula_full": "Sr1 Be1 Br1",
"formula_reduced": "SrBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3732921716666665,
"spacegroup": 187
},
{
"id": "jvasp-120880",
"created_at": "2022-09-04T14:38:52.179995Z",
"updated_at": "2022-09-04T14:38:52.180013Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n3.963191 0.000000 -0.000000\n0.000000 3.963191 0.000000\n-0.000000 -0.000000 8.162748\nSr Be Br\n1 1 1\ndirect\n0.000000 0.000000 0.023164 Sr\n0.000000 0.000000 0.394239 Be\n0.000000 0.000000 0.649434 Br\n",
"nsites": 3,
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"elements": [
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"Br"
],
"chemical_system": "Be-Br-Sr",
"density": 2.286422219800646,
"density_atomic": 0.023398868650942296,
"volume": 128.21132699846098,
"volume_molar": 25.736888607037347,
"formula_full": "Sr1 Be1 Br1",
"formula_reduced": "SrBeBr",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-74304",
"created_at": "2022-09-04T14:36:07.365099Z",
"updated_at": "2022-09-04T14:36:07.365130Z",
"structure_string": "Sr1 Be1 Br2\n1.0\n-2.691719 2.691719 3.804316\n2.691719 -2.691719 3.804316\n2.691719 2.691719 -3.804316\nSr Be Br\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Br\n0.500001 0.500001 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Br-Sr",
"density": 3.8622391217454384,
"density_atomic": 0.036279724131482026,
"volume": 110.25442160209172,
"volume_molar": 16.599191157504524,
"formula_full": "Sr1 Be1 Br2",
"formula_reduced": "SrBeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-120881",
"created_at": "2022-09-04T14:38:50.868800Z",
"updated_at": "2022-09-04T14:38:50.868821Z",
"structure_string": "Sr1 Be1 Br2\n1.0\n-0.000000 3.807634 3.807634\n3.807634 -0.000000 3.807634\n3.807634 3.807634 0.000000\nSr Be Br\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Br\n0.250000 0.250000 0.250000 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
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"density": 3.856910754004585,
"density_atomic": 0.03622967241132289,
"volume": 110.40673938718466,
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"formula_full": "Sr1 Be1 Br2",
"formula_reduced": "SrBeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-74355",
"created_at": "2022-09-04T14:36:16.895807Z",
"updated_at": "2022-09-04T14:36:16.895830Z",
"structure_string": "Ta1 Be2 Br1\n1.0\n2.969105 0.000000 0.000000\n0.000000 2.969105 -0.000000\n-0.000000 -0.000000 7.862805\nTa Be Br\n1 2 1\ndirect\n0.499999 0.499999 0.796197 Ta\n0.000000 0.000000 0.016093 Be\n0.499999 0.499999 0.120670 Be\n0.000000 0.000000 0.567041 Br\n",
"nsites": 4,
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"elements": [
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"density": 6.680854295270363,
"density_atomic": 0.057707382170669806,
"volume": 69.31522189258186,
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"formula_full": "Ta1 Be2 Br1",
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}
]
}