HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=677",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=675",
"results": [
{
"id": "jvasp-8514",
"created_at": "2022-09-04T14:36:53.505973Z",
"updated_at": "2022-09-04T14:36:53.505993Z",
"structure_string": "Si2 Se4\n1.0\n8.633196 0.000000 -4.334466\n-1.399032 5.053887 -2.786529\n-2.486381 -0.967224 5.812578\nSi Se\n2 4\ndirect\n0.249983 0.250001 0.500001 Si\n0.750019 0.750001 0.500001 Si\n0.624714 0.281376 0.000577 Se\n0.124137 0.218625 -0.000577 Se\n0.375287 0.718625 -0.000577 Se\n0.875864 0.781376 0.000577 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.6335471567173685,
"density_atomic": 0.03529207326140082,
"volume": 170.00984769467314,
"volume_molar": 17.063720556724718,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.625681777777778,
"spacegroup": 72
},
{
"id": "jvasp-22639",
"created_at": "2022-09-04T14:36:49.913820Z",
"updated_at": "2022-09-04T14:36:49.913840Z",
"structure_string": "Si2 Se4\n1.0\n5.271148 -0.000000 -2.710554\n-1.430210 5.041607 -2.781295\n-0.041783 0.027627 6.399356\nSi Se\n2 4\ndirect\n0.750000 0.000000 0.000001 Si\n0.250000 0.000000 0.000000 Si\n0.124368 0.343414 0.248735 Se\n0.875633 0.656587 0.751268 Se\n0.375633 0.094680 0.751267 Se\n0.624368 0.905321 0.248736 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Se"
],
"chemical_system": "Se-Si",
"density": 3.633663803945555,
"density_atomic": 0.03529320623762083,
"volume": 170.00439006882556,
"volume_molar": 17.063172780206894,
"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6256517777777777,
"spacegroup": 72
},
{
"id": "jvasp-104560",
"created_at": "2022-09-04T14:36:42.560555Z",
"updated_at": "2022-09-04T14:36:42.560580Z",
"structure_string": "Bi3 Au1\n1.0\n4.330572 -0.322672 -3.764451\n-1.109751 4.198383 -3.764451\n0.268149 0.322672 5.731757\nBi Au\n3 1\ndirect\n0.750000 0.250000 0.500000 Bi\n0.250000 0.749999 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"Au"
],
"chemical_system": "Au-Bi",
"density": 12.072005822265975,
"density_atomic": 0.035294881819398695,
"volume": 113.33087954417032,
"volume_molar": 17.06236272673996,
"formula_full": "Bi3 Au1",
"formula_reduced": "Bi3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8153976175000002,
"spacegroup": 139
},
{
"id": "jvasp-28712",
"created_at": "2022-09-04T14:37:00.525025Z",
"updated_at": "2022-09-04T14:37:00.525047Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.347932 0.000023 -0.000378\n-1.673946 2.899381 0.001186\n-0.004002 0.012110 35.024152\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333241 0.666289 0.718703 Te\n0.333444 0.667346 0.610246 Te\n0.333354 0.666525 0.096544 Mo\n0.666748 0.333470 0.277088 Mo\n0.666677 0.333495 0.664533 Mo\n0.333213 0.666512 0.464791 W\n0.333317 0.666348 0.324635 Se\n0.666590 0.333529 0.416951 Se\n0.666461 0.332716 0.512622 Se\n0.333482 0.667213 0.229509 Se\n0.666761 0.333593 0.053224 S\n0.666701 0.332956 0.139905 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.406034439259992,
"density_atomic": 0.03529636929741547,
"volume": 339.9783104852851,
"volume_molar": 17.061643675744758,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.724024725000001,
"spacegroup": 156
},
{
"id": "jvasp-41028",
"created_at": "2022-09-04T14:37:37.300303Z",
"updated_at": "2022-09-04T14:37:37.300331Z",
"structure_string": "Nd2 Sn1 Hg1\n1.0\n-0.000201 3.840787 3.840787\n3.840787 -0.000201 3.840787\n3.840787 3.840787 -0.000201\nNd Sn Hg\n2 1 1\ndirect\n0.000013 0.000013 0.000013 Nd\n0.499990 0.499990 0.499990 Nd\n0.750005 0.750005 0.750005 Sn\n0.249993 0.249993 0.249993 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Hg"
],
"chemical_system": "Hg-Nd-Sn",
"density": 8.90581368654106,
"density_atomic": 0.03529679203218175,
"volume": 113.32474623623051,
"volume_molar": 17.061439335646508,
"formula_full": "Nd2 Sn1 Hg1",
"formula_reduced": "Nd2SnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.358079825,
"spacegroup": 225
},
{
"id": "jvasp-91407",
"created_at": "2022-09-04T14:35:56.841580Z",
"updated_at": "2022-09-04T14:35:56.841604Z",
"structure_string": "Rb8 Sn8 S32\n1.0\n9.397287 0.000000 -2.878212\n0.000000 10.138545 0.000000\n-0.117193 0.000000 14.308868\nRb Sn S\n8 8 32\ndirect\n0.532076 0.225278 0.912535 Rb\n0.967925 0.725278 0.587465 Rb\n0.467925 0.774721 0.087465 Rb\n0.032075 0.274722 0.412535 Rb\n0.851034 0.132946 0.704769 Rb\n0.648967 0.632946 0.795231 Rb\n0.148966 0.867053 0.295231 Rb\n0.351034 0.367054 0.204769 Rb\n0.025679 0.173810 0.015007 Sn\n0.406695 -0.000004 0.596938 Sn\n0.906695 0.500003 0.096938 Sn\n0.593305 0.000004 0.403063 Sn\n0.525679 0.326189 0.515007 Sn\n0.974322 0.826189 0.984993 Sn\n0.474321 0.673810 0.484993 Sn\n0.093305 0.499996 0.903063 Sn\n0.490131 0.769013 0.332487 S\n0.990131 0.730986 0.832487 S\n0.509870 0.230987 0.667514 S\n0.687360 0.142712 0.190214 S\n0.812640 0.642711 0.309786 S\n0.312640 0.857288 0.809786 S\n0.306082 0.657220 0.769596 S\n0.693918 0.342780 0.230405 S\n0.806082 0.842779 0.269596 S\n0.193918 0.157220 0.730405 S\n0.646341 0.446246 0.100978 S\n0.853660 0.946245 0.399023 S\n0.009869 0.269013 0.167514 S\n0.187360 0.357288 0.690214 S\n0.007836 0.432851 0.715600 S\n0.329482 0.462878 0.419068 S\n0.992164 0.567149 0.284401 S\n0.507836 0.067149 0.215600 S\n0.140563 0.602483 0.076683 S\n0.359437 0.102483 0.423317 S\n0.859437 0.397516 0.923317 S\n0.640564 0.897516 0.576683 S\n0.353660 0.553754 0.899023 S\n0.170518 0.962878 0.080933 S\n0.670518 0.537121 0.580933 S\n0.829483 0.037121 0.919068 S\n0.714346 0.225868 0.460664 S\n0.785654 0.725868 0.039337 S\n0.285654 0.774132 0.539337 S\n0.214346 0.274132 0.960664 S\n0.492164 0.932851 0.784401 S\n0.146341 0.053754 0.600978 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"S"
],
"chemical_system": "Rb-S-Sn",
"density": 3.2475577730177587,
"density_atomic": 0.035297881363858696,
"volume": 1359.8549869099772,
"volume_molar": 17.06091280074967,
"formula_full": "Rb8 Sn8 S32",
"formula_reduced": "RbSnS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1962886166666669,
"spacegroup": 14
},
{
"id": "jvasp-12759",
"created_at": "2022-09-04T14:38:11.613717Z",
"updated_at": "2022-09-04T14:38:11.613735Z",
"structure_string": "Rb2 Ni2 Br6\n1.0\n3.637577 -6.300468 0.000000\n3.637577 6.300468 -0.000000\n0.000000 0.000000 6.180621\nRb Ni Br\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.677185 0.838592 0.250000 Br\n0.838592 0.161409 0.750000 Br\n0.161409 0.838592 0.250000 Br\n0.322816 0.161409 0.750000 Br\n0.838592 0.677185 0.750000 Br\n0.161409 0.322816 0.250000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"Br"
],
"chemical_system": "Br-Ni-Rb",
"density": 4.500075207534779,
"density_atomic": 0.0352982265234013,
"volume": 283.30035202676265,
"volume_molar": 17.06074597262716,
"formula_full": "Rb2 Ni2 Br6",
"formula_reduced": "RbNiBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-29551",
"created_at": "2022-09-04T14:36:41.480391Z",
"updated_at": "2022-09-04T14:36:41.480420Z",
"structure_string": "Hg6 As2 Se8 Br2\n1.0\n7.880810 -0.000000 0.000000\n-3.940405 6.824982 -0.000000\n0.000000 -0.000000 9.480667\nHg As Se Br\n6 2 8 2\ndirect\n0.497176 0.502824 0.243849 Hg\n0.502824 0.005648 0.743849 Hg\n0.502825 0.497175 0.743849 Hg\n0.005648 0.502824 0.243849 Hg\n0.497176 0.994352 0.243849 Hg\n0.994352 0.497175 0.743849 Hg\n0.000000 0.000000 0.222949 As\n0.000000 0.000000 0.722950 As\n0.298608 0.149304 0.367885 Se\n0.666667 0.333333 0.600011 Se\n0.850696 0.149304 0.367885 Se\n0.701393 0.850696 0.867886 Se\n0.850696 0.701392 0.367885 Se\n0.149304 0.850696 0.867886 Se\n0.333333 0.666667 0.100011 Se\n0.149304 0.298608 0.867886 Se\n0.333333 0.666667 0.525936 Br\n0.666667 0.333333 0.025936 Br\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hg",
"As",
"Se",
"Br"
],
"chemical_system": "As-Br-Hg-Se",
"density": 6.984560043977448,
"density_atomic": 0.0352989059403061,
"volume": 509.9308185483074,
"volume_molar": 17.060417595332922,
"formula_full": "Hg6 As2 Se8 Br2",
"formula_reduced": "Hg3AsSe4Br",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.3459770135185184,
"spacegroup": 186
},
{
"id": "jvasp-110054",
"created_at": "2022-09-04T14:38:19.892928Z",
"updated_at": "2022-09-04T14:38:19.892939Z",
"structure_string": "Tl1 In3\n1.0\n4.469391 0.076275 -3.851558\n-0.890349 4.380474 -3.851558\n-0.061254 -0.076275 5.899678\nTl In\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 In\n0.250000 0.749999 0.499999 In\n0.500000 0.500000 -0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"In"
],
"chemical_system": "In-Tl",
"density": 8.042776560874064,
"density_atomic": 0.03529988400391178,
"volume": 113.31481994549154,
"volume_molar": 17.05994489764514,
"formula_full": "Tl1 In3",
"formula_reduced": "TlIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00047,
"spacegroup": 139
},
{
"id": "jvasp-100996",
"created_at": "2022-09-04T14:36:42.261709Z",
"updated_at": "2022-09-04T14:36:42.261719Z",
"structure_string": "Li1 Tb3\n1.0\n4.432233 0.030701 -3.940463\n-0.873643 4.345386 -3.940463\n-0.024966 -0.030701 5.930541\nTb Li\n3 1\ndirect\n0.749999 0.250000 0.500000 Tb\n0.250000 0.750001 0.500001 Tb\n0.500000 0.500000 0.000001 Tb\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Li"
],
"chemical_system": "Li-Tb",
"density": 7.0885714999502945,
"density_atomic": 0.03530028587975321,
"volume": 113.31352991376865,
"volume_molar": 17.059750678829637,
"formula_full": "Li1 Tb3",
"formula_reduced": "LiTb3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2845763,
"spacegroup": 139
},
{
"id": "jvasp-107109",
"created_at": "2022-09-04T14:37:03.083492Z",
"updated_at": "2022-09-04T14:37:03.083515Z",
"structure_string": "K2 Li1 Ce1 Cl6\n1.0\n6.384243 -0.000000 3.685945\n2.128081 6.019122 3.685945\n-0.000000 -0.000000 7.371889\nK Li Ce 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 Ce\n0.739508 0.260491 0.260491 Cl\n0.260491 0.260491 0.739508 Cl\n0.260491 0.739508 0.739508 Cl\n0.260491 0.739508 0.260491 Cl\n0.739508 0.260491 0.739508 Cl\n0.739508 0.739508 0.260491 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-K-Li",
"density": 2.5672827634548003,
"density_atomic": 0.035300321248202905,
"volume": 283.28354095386845,
"volume_molar": 17.059733586154206,
"formula_full": "K2 Li1 Ce1 Cl6",
"formula_reduced": "K2LiCeCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37624",
"created_at": "2022-09-04T14:37:54.195158Z",
"updated_at": "2022-09-04T14:37:54.195185Z",
"structure_string": "Tl6 Ge2\n1.0\n3.515335 -6.088738 0.000000\n3.515335 6.088738 0.000000\n0.000000 0.000000 5.293886\nTl Ge\n6 2\ndirect\n0.826779 0.653557 0.250000 Tl\n0.346444 0.173223 0.250000 Tl\n0.826778 0.173223 0.250000 Tl\n0.173223 0.346444 0.750001 Tl\n0.653557 0.826779 0.750001 Tl\n0.173223 0.826778 0.750001 Tl\n0.666668 0.333334 0.750001 Ge\n0.333334 0.666668 0.250000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Ge"
],
"chemical_system": "Ge-Tl",
"density": 10.050127988106945,
"density_atomic": 0.035301357119030874,
"volume": 226.62018270360545,
"volume_molar": 17.059232991225368,
"formula_full": "Tl6 Ge2",
"formula_reduced": "Tl3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0065125,
"spacegroup": 194
}
]
}