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=volume_molar&page=3410",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3408",
"results": [
{
"id": "jvasp-68787",
"created_at": "2022-09-04T14:36:05.166799Z",
"updated_at": "2022-09-04T14:36:05.166822Z",
"structure_string": "Sr2 Be1 Rh1\n1.0\n-2.263181 2.263181 4.564929\n2.263181 -2.263181 4.564929\n2.263181 2.263181 -4.564929\nSr Be Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Rh"
],
"chemical_system": "Be-Rh-Sr",
"density": 5.098435635859087,
"density_atomic": 0.04276883258244715,
"volume": 93.52605059511605,
"volume_molar": 14.080676035266766,
"formula_full": "Sr2 Be1 Rh1",
"formula_reduced": "Sr2BeRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.96796793,
"spacegroup": 119
},
{
"id": "jvasp-8047",
"created_at": "2022-09-04T14:37:07.444453Z",
"updated_at": "2022-09-04T14:37:07.444488Z",
"structure_string": "Zn2 Se2\n1.0\n2.016787 -3.493176 0.000000\n2.016787 3.493176 -0.000000\n0.000000 -0.000000 6.637972\nZn Se\n2 2\ndirect\n0.333334 0.666668 0.999295 Zn\n0.666668 0.333334 0.499295 Zn\n0.333334 0.666668 0.625705 Se\n0.666668 0.333334 0.125705 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Se"
],
"chemical_system": "Se-Zn",
"density": 5.126336714354393,
"density_atomic": 0.04276752112664991,
"volume": 93.52891854906836,
"volume_molar": 14.081107815826616,
"formula_full": "Zn2 Se2",
"formula_reduced": "ZnSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0029449999999999,
"spacegroup": 186
},
{
"id": "jvasp-115043",
"created_at": "2022-09-04T14:38:43.774108Z",
"updated_at": "2022-09-04T14:38:43.774118Z",
"structure_string": "Sn1 Ge1 S4\n1.0\n-2.626858 2.626858 5.082918\n2.626858 -2.626858 5.082918\n2.626858 2.626858 -5.082918\nSn Ge S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Ge\n0.527078 0.027078 0.500000 S\n0.238321 0.238321 0.000000 S\n0.972923 0.472922 0.500000 S\n0.761678 0.761678 0.000000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"Ge",
"S"
],
"chemical_system": "Ge-S-Sn",
"density": 3.7828852550468453,
"density_atomic": 0.0427666233710333,
"volume": 140.29632285779013,
"volume_molar": 14.081403406000295,
"formula_full": "Sn1 Ge1 S4",
"formula_reduced": "SnGeS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6093829416666667,
"spacegroup": 119
},
{
"id": "jvasp-18135",
"created_at": "2022-09-04T14:37:27.378674Z",
"updated_at": "2022-09-04T14:37:27.378694Z",
"structure_string": "Nd3 In3 Pd3\n1.0\n3.891362 -6.740037 0.000000\n3.891362 6.740037 0.000000\n0.000000 0.000000 4.012088\nNd In Pd\n3 3 3\ndirect\n-0.000000 0.590129 0.000000 Nd\n0.409871 0.409871 0.000000 Nd\n0.590129 -0.000000 0.000000 Nd\n0.745886 0.745886 0.500000 In\n-0.000000 0.254114 0.500000 In\n0.254114 -0.000000 0.500000 In\n0.333333 0.666667 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.666667 0.333333 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"In",
"Pd"
],
"chemical_system": "In-Nd-Pd",
"density": 8.651065662583965,
"density_atomic": 0.042763983114332306,
"volume": 210.4574771704009,
"volume_molar": 14.082272794607118,
"formula_full": "Nd3 In3 Pd3",
"formula_reduced": "NdInPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5632790566666666,
"spacegroup": 189
},
{
"id": "jvasp-5818",
"created_at": "2022-09-04T14:37:59.975019Z",
"updated_at": "2022-09-04T14:37:59.975043Z",
"structure_string": "Ga4 P4 S16\n1.0\n0.000000 8.055724 0.264446\n7.858803 0.000000 0.000000\n0.000000 -7.617484 -9.115825\nGa P S\n4 4 16\ndirect\n0.376055 0.534857 0.616592 Ga\n0.623945 0.034857 0.883409 Ga\n0.623945 0.465143 0.383408 Ga\n0.376055 0.965142 0.116592 Ga\n0.358201 0.743880 0.353445 P\n0.358202 0.756120 0.853446 P\n0.641799 0.256120 0.646555 P\n0.641798 0.243880 0.146554 P\n0.222286 0.535890 0.724559 S\n0.222286 0.964110 0.224558 S\n0.251343 0.725338 0.969862 S\n0.748658 0.225338 0.530138 S\n0.748658 0.274662 0.030138 S\n0.251342 0.774661 0.469862 S\n0.298498 0.233093 0.009814 S\n0.753527 0.023073 0.273338 S\n0.701503 0.766906 0.990186 S\n0.298498 0.266906 0.509815 S\n0.777715 0.035890 0.775442 S\n0.246473 0.523073 0.226662 S\n0.246473 0.976926 0.726662 S\n0.753528 0.476927 0.773338 S\n0.701502 0.733093 0.490185 S\n0.777714 0.464110 0.275441 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ga",
"P",
"S"
],
"chemical_system": "Ga-P-S",
"density": 2.709476322190062,
"density_atomic": 0.04275963984087376,
"volume": 561.2769445513079,
"volume_molar": 14.083703189294548,
"formula_full": "Ga4 P4 S16",
"formula_reduced": "GaPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7972746375000004,
"spacegroup": 14
},
{
"id": "jvasp-3708",
"created_at": "2022-09-04T14:35:50.344516Z",
"updated_at": "2022-09-04T14:35:50.344545Z",
"structure_string": "Ba2 H2 Cl2\n1.0\n4.392954 0.000000 -0.000000\n0.000000 4.392954 0.000000\n0.000000 0.000000 7.271233\nBa H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.791193 Ba\n0.500000 0.000000 0.208807 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.652000 Cl\n0.000000 0.500000 0.348000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Cl"
],
"chemical_system": "Ba-Cl-H",
"density": 4.113176593246154,
"density_atomic": 0.04275923016952551,
"volume": 140.32058052055854,
"volume_molar": 14.08383812366196,
"formula_full": "Ba2 H2 Cl2",
"formula_reduced": "BaHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1449666791666667,
"spacegroup": 129
},
{
"id": "jvasp-37391",
"created_at": "2022-09-04T14:38:02.294406Z",
"updated_at": "2022-09-04T14:38:02.294431Z",
"structure_string": "Tm2 Ag1 Hg1\n1.0\n0.000000 3.603032 3.603032\n3.603032 -0.000000 3.603032\n3.603032 3.603032 -0.000000\nTm Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Ag\n0.750001 0.750001 0.750001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Tm",
"density": 11.47273037931213,
"density_atomic": 0.042758812731322746,
"volume": 93.54796694506489,
"volume_molar": 14.083975618875199,
"formula_full": "Tm2 Ag1 Hg1",
"formula_reduced": "Tm2AgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0898175899999999,
"spacegroup": 225
},
{
"id": "jvasp-118749",
"created_at": "2022-09-04T14:38:47.285890Z",
"updated_at": "2022-09-04T14:38:47.285918Z",
"structure_string": "Mo1 Br2\n1.0\n4.906902 -0.386595 -0.037976\n4.243017 -5.217706 -0.663394\n-1.159050 -0.550283 -3.001883\nMo Br\n1 2\ndirect\n0.083711 0.858568 0.035542 Mo\n0.752181 0.280115 0.370851 Br\n0.752273 0.768870 0.368655 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 6.052821971726439,
"density_atomic": 0.04275804219961136,
"volume": 70.16223956173718,
"volume_molar": 14.0842294225874,
"formula_full": "Mo1 Br2",
"formula_reduced": "MoBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.760468036666667,
"spacegroup": 44
},
{
"id": "jvasp-85640",
"created_at": "2022-09-04T14:35:42.056969Z",
"updated_at": "2022-09-04T14:35:42.056997Z",
"structure_string": "Nd3 In3 Pd3\n1.0\n7.783541 0.007700 -0.007834\n-3.898393 6.737003 -0.000604\n0.003989 0.002734 4.011829\nNd In Pd\n3 3 3\ndirect\n-0.076504 0.666668 0.555552 Nd\n0.333335 0.256830 0.555547 Nd\n0.743186 0.076487 0.555556 Nd\n0.587412 0.666662 0.055569 In\n0.079224 0.412553 0.055573 In\n0.333361 0.920795 0.055555 In\n0.000007 -0.000015 0.055544 Pd\n0.666683 0.333357 0.055547 Pd\n0.333296 0.666659 0.555564 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"In",
"Pd"
],
"chemical_system": "In-Nd-Pd",
"density": 8.649647838202304,
"density_atomic": 0.04275697451905846,
"volume": 210.49197473007234,
"volume_molar": 14.08458111860954,
"formula_full": "Nd3 In3 Pd3",
"formula_reduced": "NdInPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5632123899999999,
"spacegroup": 189
},
{
"id": "jvasp-17724",
"created_at": "2022-09-04T14:38:16.529881Z",
"updated_at": "2022-09-04T14:38:16.529900Z",
"structure_string": "Pu3 Ga1\n1.0\n4.539667 -0.000000 0.000000\n0.000000 4.539667 0.000000\n0.000000 0.000000 4.539667\nPu Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.500000 0.000000 0.500000 Pu\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Ga"
],
"chemical_system": "Ga-Pu",
"density": 14.229886930329963,
"density_atomic": 0.04275510724923471,
"volume": 93.55607452187124,
"volume_molar": 14.085196243093957,
"formula_full": "Pu3 Ga1",
"formula_reduced": "Pu3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 5.78381308125,
"spacegroup": 221
},
{
"id": "jvasp-119567",
"created_at": "2022-09-04T14:38:35.575851Z",
"updated_at": "2022-09-04T14:38:35.575869Z",
"structure_string": "Cu5 Sn2 Se7\n1.0\n6.951253 0.013748 0.900698\n4.597666 5.213594 0.900698\n-0.003602 -0.001630 9.050629\nCu Sn Se\n5 2 7\ndirect\n0.732141 0.267860 0.500000 Cu\n0.886968 0.405147 0.074244 Cu\n0.594853 0.113032 0.925756 Cu\n0.448915 0.978348 0.357919 Cu\n0.021652 0.551085 0.642081 Cu\n0.148945 0.702350 0.224374 Sn\n0.297650 0.851055 0.775626 Sn\n0.354223 0.349412 0.443183 Se\n0.650588 0.645777 0.556818 Se\n0.514150 0.485850 0.000000 Se\n0.048803 0.114176 0.292224 Se\n0.885824 0.951196 0.707776 Se\n0.742433 0.809541 0.138551 Se\n0.190459 0.257568 0.861449 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.618106901712123,
"density_atomic": 0.04275433291806964,
"volume": 327.4521912627727,
"volume_molar": 14.085451342534713,
"formula_full": "Cu5 Sn2 Se7",
"formula_reduced": "Cu5Sn2Se7",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 0.7255170869047619,
"spacegroup": 5
},
{
"id": "jvasp-91480",
"created_at": "2022-09-04T14:35:47.334203Z",
"updated_at": "2022-09-04T14:35:47.334229Z",
"structure_string": "K6 Sb14 S6 O18\n1.0\n14.473619 0.000001 -0.000000\n-7.236811 12.534522 0.000000\n-0.000000 -0.000000 5.672816\nK Sb S O\n6 14 6 18\ndirect\n0.708001 0.897580 0.640142 K\n0.189580 0.291999 0.640142 K\n0.291999 0.102420 0.140141 K\n0.897580 0.189579 0.140141 K\n0.810420 0.708000 0.140141 K\n0.102420 0.810420 0.640142 K\n0.333333 0.666667 0.751911 Sb\n0.666667 0.333333 0.251911 Sb\n0.719021 0.167187 0.645996 Sb\n0.167187 0.448166 0.145994 Sb\n0.448166 0.280979 0.645996 Sb\n0.612938 0.596971 0.633828 Sb\n0.984033 0.387062 0.633828 Sb\n0.387062 0.403029 0.133828 Sb\n0.403029 0.015966 0.633828 Sb\n0.015967 0.612938 0.133828 Sb\n0.596971 0.984033 0.133828 Sb\n0.832813 0.551834 0.645996 Sb\n0.551834 0.719021 0.145994 Sb\n0.280979 0.832813 0.145994 Sb\n0.164243 0.630106 0.571756 S\n0.835757 0.369894 0.071755 S\n0.534137 0.164243 0.071755 S\n0.465863 0.835757 0.571756 S\n0.630106 0.465863 0.071755 S\n0.369894 0.534136 0.571756 S\n0.935239 0.647432 0.890304 O\n0.936953 0.640734 0.388892 O\n0.712195 0.064761 0.890304 O\n0.226893 0.349900 0.126149 O\n0.703781 0.063047 0.388892 O\n0.123006 0.773107 0.126149 O\n0.773107 0.650100 0.626149 O\n0.064761 0.352568 0.390303 O\n0.352568 0.287805 0.890304 O\n0.359266 0.296219 0.388892 O\n0.640734 0.703781 0.888893 O\n0.647432 0.712194 0.390303 O\n0.650100 0.876994 0.126149 O\n0.349900 0.123006 0.626149 O\n0.063047 0.359266 0.888893 O\n0.876994 0.226893 0.626149 O\n0.287805 0.935239 0.390303 O\n0.296219 0.936952 0.888893 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"K",
"Sb",
"S",
"O"
],
"chemical_system": "K-O-S-Sb",
"density": 3.9040076588907437,
"density_atomic": 0.04275324157562835,
"volume": 1029.161728524519,
"volume_molar": 14.085810895408095,
"formula_full": "K6 Sb14 S6 O18",
"formula_reduced": "K3Sb7(SO3)3",
"formula_anonymous": "A3B3C7D9",
"energy_above_hull": 2.0104376454545454,
"spacegroup": 173
}
]
}