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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1146",
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"results": [
{
"id": "jvasp-96830",
"created_at": "2022-09-04T14:36:31.287557Z",
"updated_at": "2022-09-04T14:36:31.287655Z",
"structure_string": "Si16 C16\n1.0\n3.100535 -0.000000 0.000000\n-1.550268 2.685142 0.000000\n0.000000 0.000000 40.588839\nSi C\n16 16\ndirect\n0.333333 0.666666 0.812502 Si\n0.333333 0.666666 0.187452 Si\n0.000000 0.000000 0.624925 Si\n0.666668 0.333333 0.312502 Si\n0.000000 0.000000 0.749979 Si\n0.333333 0.666666 0.999976 Si\n0.333333 0.666666 0.437451 Si\n0.666668 0.333333 0.499976 Si\n0.000000 0.000000 0.124925 Si\n0.000000 0.000000 0.875036 Si\n0.000000 0.000000 0.249979 Si\n0.666668 0.333333 0.062509 Si\n0.666668 0.333333 0.937451 Si\n0.000000 0.000000 0.375036 Si\n0.333333 0.666666 0.562509 Si\n0.666668 0.333333 0.687452 Si\n0.000000 0.000000 0.296822 C\n0.333333 0.666666 0.859509 C\n0.666668 0.333333 0.109369 C\n0.000000 0.000000 0.796822 C\n0.666668 0.333333 0.984306 C\n0.000000 0.000000 0.421895 C\n0.666668 0.333333 0.734462 C\n0.666668 0.333333 0.546984 C\n0.000000 0.000000 0.921895 C\n0.333333 0.666666 0.046984 C\n0.666668 0.333333 0.359509 C\n0.333333 0.666666 0.484306 C\n0.000000 0.000000 0.171781 C\n0.000000 0.000000 0.671781 C\n0.333333 0.666666 0.609369 C\n0.333333 0.666666 0.234462 C\n",
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"formula_full": "Si16 C16",
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{
"id": "jvasp-22644",
"created_at": "2022-09-04T14:35:46.297583Z",
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"structure_string": "Si10 C10\n1.0\n3.100305 0.000000 0.000000\n-1.550152 2.684942 -0.000000\n0.000000 -0.000000 25.369412\nSi C\n10 10\ndirect\n0.666668 0.333333 0.199868 Si\n0.333334 0.666666 0.100011 Si\n0.666668 0.333333 0.800073 Si\n0.333334 0.666666 0.899930 Si\n0.000000 0.000000 0.700029 Si\n0.333334 0.666666 0.499967 Si\n0.666668 0.333333 0.600002 Si\n0.000000 0.000000 0.299903 Si\n0.666668 0.333333 0.399936 Si\n0.000000 0.000000 0.999964 Si\n0.000000 0.000000 0.375116 C\n0.000000 0.000000 0.775238 C\n0.000000 0.000000 0.075178 C\n0.666668 0.333333 0.674949 C\n0.666668 0.333333 0.274838 C\n0.333334 0.666666 0.174987 C\n0.333334 0.666666 0.575178 C\n0.666668 0.333333 0.474884 C\n0.333334 0.666666 0.974900 C\n0.666668 0.333333 0.875048 C\n",
"nsites": 20,
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"elements": [
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"density": 3.15284472292812,
"density_atomic": 0.09470660422911796,
"volume": 211.1785145586596,
"volume_molar": 6.358733700799786,
"formula_full": "Si10 C10",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9277893,
"spacegroup": 156
},
{
"id": "jvasp-10867",
"created_at": "2022-09-04T14:38:27.197613Z",
"updated_at": "2022-09-04T14:38:27.197635Z",
"structure_string": "Si5 C5\n1.0\n3.078332 0.000449 12.435273\n1.516661 2.678781 12.435273\n0.000769 0.000449 12.810626\nSi C\n5 5\ndirect\n0.916638 0.916639 0.916639 Si\n0.650002 0.650003 0.650003 Si\n0.450042 0.450043 0.450043 Si\n0.183400 0.183400 0.183400 Si\n0.050022 0.050022 0.050022 Si\n0.866653 0.866655 0.866654 C\n0.599862 0.599863 0.599863 C\n0.399901 0.399901 0.399901 C\n0.133420 0.133420 0.133420 C\n0.000057 0.000057 0.000057 C\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Si",
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],
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"density": 3.152654222820617,
"density_atomic": 0.09470088189900899,
"volume": 105.59563754289226,
"volume_molar": 6.359117929252378,
"formula_full": "Si5 C5",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9278343,
"spacegroup": 160
},
{
"id": "jvasp-182",
"created_at": "2022-09-04T14:37:40.708553Z",
"updated_at": "2022-09-04T14:37:40.708578Z",
"structure_string": "Si6 C6\n1.0\n1.550354 -2.685291 0.000000\n1.550354 2.685291 0.000000\n0.000000 0.000000 15.218138\nSi C\n6 6\ndirect\n0.333332 0.666666 0.167045 Si\n0.666666 0.333332 0.667045 Si\n0.666666 0.333332 0.333507 Si\n0.333332 0.666666 0.833507 Si\n0.000000 0.000000 0.500266 Si\n0.000000 0.000000 0.000266 Si\n0.000000 0.000000 0.125621 C\n0.000000 0.000000 0.625621 C\n0.333332 0.666666 0.292005 C\n0.666666 0.333332 0.792005 C\n0.666666 0.333332 0.458456 C\n0.333332 0.666666 0.958457 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
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"chemical_system": "C-Si",
"density": 3.152752069031186,
"density_atomic": 0.0947038210486196,
"volume": 126.71083243662756,
"volume_molar": 6.358920572917874,
"formula_full": "Si6 C6",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9277043,
"spacegroup": 186
},
{
"id": "jvasp-117953",
"created_at": "2022-09-04T14:38:52.053630Z",
"updated_at": "2022-09-04T14:38:52.053655Z",
"structure_string": "Si1 C1\n1.0\n3.093340 -0.000000 0.000000\n-1.546670 2.678911 -0.000000\n-0.000000 0.000000 4.023370\nSi C\n1 1\ndirect\n0.333333 0.666666 0.000000 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
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"elements": [
"Si",
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],
"chemical_system": "C-Si",
"density": 1.9969923295383007,
"density_atomic": 0.05998657682910571,
"volume": 33.340792319217535,
"volume_molar": 10.039147219812742,
"formula_full": "Si1 C1",
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"formula_anonymous": "AB",
"energy_above_hull": 3.1928343,
"spacegroup": 187
},
{
"id": "jvasp-8158",
"created_at": "2022-09-04T14:37:04.556908Z",
"updated_at": "2022-09-04T14:37:04.556937Z",
"structure_string": "Si1 C1\n1.0\n2.686974 -0.000000 1.551325\n0.895658 2.533304 1.551325\n-0.000000 -0.000000 3.102651\nSi C\n1 1\ndirect\n0.250000 0.250000 0.250001 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
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"elements": [
"Si",
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"chemical_system": "C-Si",
"density": 3.1525981266331926,
"density_atomic": 0.09469919685585335,
"volume": 21.119503294672135,
"volume_molar": 6.359231081089969,
"formula_full": "Si1 C1",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9276093,
"spacegroup": 216
},
{
"id": "jvasp-115773",
"created_at": "2022-09-04T14:38:40.462263Z",
"updated_at": "2022-09-04T14:38:40.462286Z",
"structure_string": "Si1 C1\n1.0\n2.786626 0.000000 0.000000\n0.000000 2.786626 -0.000000\n0.000000 0.000000 2.641418\nSi C\n1 1\ndirect\n0.500002 0.500002 0.000000 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
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"elements": [
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"density": 3.2460694716089598,
"density_atomic": 0.09750693223559065,
"volume": 20.511362158002417,
"volume_molar": 6.176115504741396,
"formula_full": "Si1 C1",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 3.5830043,
"spacegroup": 123
},
{
"id": "jvasp-117951",
"created_at": "2022-09-04T14:38:52.004676Z",
"updated_at": "2022-09-04T14:38:52.004694Z",
"structure_string": "Si1 C1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nSi C\n1 1\ndirect\n0.000000 0.000000 0.089773 Si\n0.000000 0.000000 0.910227 C\n",
"nsites": 2,
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"elements": [
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"C"
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"chemical_system": "C-Si",
"density": 0.11462063483637148,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "Si1 C1",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 5.069854299999999,
"spacegroup": 99
},
{
"id": "jvasp-98821",
"created_at": "2022-09-04T14:36:01.349966Z",
"updated_at": "2022-09-04T14:36:01.349977Z",
"structure_string": "Si8 Br32\n1.0\n10.945056 -0.000000 0.000000\n-0.000000 10.945056 0.000000\n-0.000000 -0.000000 10.945056\nSi Br\n8 32\ndirect\n0.370029 0.629972 0.129972 Si\n0.129972 0.129972 0.129972 Si\n0.870029 0.870029 0.870029 Si\n0.129972 0.370029 0.629972 Si\n0.629972 0.129972 0.370029 Si\n0.870029 0.629972 0.370029 Si\n0.370029 0.870029 0.629972 Si\n0.629972 0.370029 0.870029 Si\n0.246860 0.253140 0.746860 Br\n0.008242 0.252563 0.517763 Br\n0.752563 0.517763 0.491758 Br\n0.982238 0.991759 0.752563 Br\n0.008242 0.247438 0.017763 Br\n0.747438 0.017763 0.491758 Br\n0.491758 0.752563 0.517763 Br\n0.482237 0.991759 0.747438 Br\n0.753140 0.746860 0.253140 Br\n0.246860 0.246860 0.246860 Br\n0.253140 0.746860 0.246860 Br\n0.753140 0.753140 0.753140 Br\n0.991759 0.752563 0.982238 Br\n0.247438 0.017763 0.008242 Br\n0.247438 0.482237 0.508242 Br\n0.982238 0.508242 0.252563 Br\n0.252563 0.982238 0.508242 Br\n0.991759 0.747438 0.482237 Br\n0.252563 0.517763 0.008242 Br\n0.517763 0.491758 0.752563 Br\n0.482237 0.508242 0.247438 Br\n0.017763 0.491758 0.747438 Br\n0.508242 0.252563 0.982238 Br\n0.746860 0.253140 0.753140 Br\n0.746860 0.246860 0.253140 Br\n0.017763 0.008242 0.247438 Br\n0.752563 0.982238 0.991759 Br\n0.508242 0.247438 0.482237 Br\n0.747438 0.482237 0.991759 Br\n0.253140 0.753140 0.746860 Br\n0.517763 0.008242 0.252563 Br\n0.491758 0.747438 0.017763 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Si",
"density": 3.522829989748764,
"density_atomic": 0.030507458379023182,
"volume": 1311.1547839561704,
"volume_molar": 19.739896667828614,
"formula_full": "Si8 Br32",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4367210039999999,
"spacegroup": 205
},
{
"id": "jvasp-32854",
"created_at": "2022-09-04T14:38:04.989770Z",
"updated_at": "2022-09-04T14:38:04.989796Z",
"structure_string": "Si4 Br16\n1.0\n6.665139 0.000000 0.000000\n0.000000 9.768025 -2.134905\n0.000000 0.056684 10.093287\nSi Br\n4 16\ndirect\n0.074943 0.748101 0.862606 Si\n0.425057 0.748102 0.362606 Si\n0.925057 0.251899 0.137395 Si\n0.574944 0.251898 0.637395 Si\n0.888535 0.191936 0.581341 Br\n0.918509 0.694601 0.037665 Br\n0.111466 0.808065 0.418660 Br\n0.581492 0.694601 0.537665 Br\n0.927767 0.430430 0.308926 Br\n0.918794 0.921624 0.802458 Br\n0.581206 0.921624 0.302458 Br\n0.572233 0.430430 0.808926 Br\n0.081206 0.078376 0.197543 Br\n0.081491 0.305399 0.962336 Br\n0.611466 0.191936 0.081341 Br\n0.072233 0.569570 0.691075 Br\n0.418509 0.305399 0.462336 Br\n0.418794 0.078376 0.697543 Br\n0.388534 0.808064 0.918660 Br\n0.427767 0.569570 0.191075 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Si",
"density": 3.5102198223408596,
"density_atomic": 0.030398255221769317,
"volume": 657.9324982335585,
"volume_molar": 19.810810574704707,
"formula_full": "Si4 Br16",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.441893004,
"spacegroup": 14
},
{
"id": "jvasp-91721",
"created_at": "2022-09-04T14:36:00.634134Z",
"updated_at": "2022-09-04T14:36:00.634152Z",
"structure_string": "Si2 Br6\n1.0\n-3.130079 -5.699971 1.032294\n-3.130079 5.699971 1.032294\n-0.030710 0.000000 -7.461298\nSi Br\n2 6\ndirect\n0.450920 0.450920 0.334870 Si\n0.549081 0.549081 0.665131 Si\n0.746292 0.746292 0.250907 Br\n0.253709 0.253709 0.749094 Br\n0.099224 0.419735 0.229070 Br\n0.419735 0.099224 0.229070 Br\n0.900776 0.580265 0.770932 Br\n0.580265 0.900776 0.770932 Br\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Br-Si",
"density": 3.3359855883685605,
"density_atomic": 0.030007412008595285,
"volume": 266.6007984196868,
"volume_molar": 20.068844185146745,
"formula_full": "Si2 Br6",
"formula_reduced": "SiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5387677287499999,
"spacegroup": 12
},
{
"id": "jvasp-51267",
"created_at": "2022-09-04T14:36:43.922551Z",
"updated_at": "2022-09-04T14:36:43.922581Z",
"structure_string": "Si1 B1 Pb1\n1.0\n-0.000000 3.164941 3.164941\n3.164941 0.000000 3.164941\n3.164941 3.164941 0.000000\nSi B Pb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
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"elements": [
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"B",
"Pb"
],
"chemical_system": "B-Pb-Si",
"density": 6.445070669522752,
"density_atomic": 0.04731451620818636,
"volume": 63.40548821845377,
"volume_molar": 12.72789250026834,
"formula_full": "Si1 B1 Pb1",
"formula_reduced": "SiBPb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.793160667777778,
"spacegroup": 216
}
]
}