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=chemical_system&page=1028",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1026",
"results": [
{
"id": "jvasp-58275",
"created_at": "2022-09-04T14:37:27.406148Z",
"updated_at": "2022-09-04T14:37:27.406173Z",
"structure_string": "U3 B6 C3\n1.0\n5.086212 -0.008735 1.100838\n0.886246 5.008412 1.100838\n-0.010434 -0.008735 5.203968\nU B C\n3 6 3\ndirect\n0.689718 0.689715 0.689718 U\n0.310284 0.310283 0.310284 U\n0.000000 0.000000 0.000000 U\n0.228794 0.771207 0.500000 B\n0.500001 0.228791 0.771208 B\n0.771208 0.499999 0.228793 B\n0.771208 0.228791 0.500001 B\n0.500001 0.771207 0.228793 B\n0.228794 0.499999 0.771208 B\n0.000000 0.500000 0.000000 C\n0.500000 -0.000000 0.000000 C\n0.000001 -0.000000 0.500000 C\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"B",
"C"
],
"chemical_system": "B-C-U",
"density": 10.198038669526822,
"density_atomic": 0.0904272405144577,
"volume": 132.70337490926104,
"volume_molar": 6.6596533585885185,
"formula_full": "U3 B6 C3",
"formula_reduced": "UB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.121015291666668,
"spacegroup": 166
},
{
"id": "jvasp-56222",
"created_at": "2022-09-04T14:37:31.547335Z",
"updated_at": "2022-09-04T14:37:31.547359Z",
"structure_string": "U2 B4 C2\n1.0\n3.522534 0.000000 0.000000\n0.000000 4.102336 0.000000\n0.000000 -0.000000 6.020156\nU B C\n2 4 2\ndirect\n0.000000 0.300829 0.250000 U\n0.000000 0.699172 0.750000 U\n0.499999 0.159903 0.598089 B\n0.499999 0.159903 0.901912 B\n0.499999 0.840098 0.098088 B\n0.499999 0.840098 0.401912 B\n0.499999 0.500001 0.500000 C\n0.499999 0.500001 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"B",
"C"
],
"chemical_system": "B-C-U",
"density": 10.370822380290829,
"density_atomic": 0.09195933454513884,
"volume": 86.99497489374663,
"volume_molar": 6.548699802785103,
"formula_full": "U2 B4 C2",
"formula_reduced": "UB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.117527791666667,
"spacegroup": 51
},
{
"id": "jvasp-93334",
"created_at": "2022-09-04T14:36:04.813093Z",
"updated_at": "2022-09-04T14:36:04.813118Z",
"structure_string": "U2 B2 C2\n1.0\n0.000000 0.000000 -3.310015\n-3.620926 0.000000 0.000000\n1.810462 5.987866 0.000000\nU B C\n2 2 2\ndirect\n0.750001 0.138227 0.276452 U\n0.250000 0.861776 0.723548 U\n0.750001 0.465730 0.931458 B\n0.250000 0.534272 0.068543 B\n0.750001 0.334220 0.668437 C\n0.250000 0.665782 0.331564 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"B",
"C"
],
"chemical_system": "B-C-U",
"density": 12.07116720664419,
"density_atomic": 0.08360448313426859,
"volume": 71.76648637805721,
"volume_molar": 7.203131380321385,
"formula_full": "U2 B2 C2",
"formula_reduced": "UBC",
"formula_anonymous": "ABC",
"energy_above_hull": 4.703469527777777,
"spacegroup": 63
},
{
"id": "jvasp-15642",
"created_at": "2022-09-04T14:36:07.630228Z",
"updated_at": "2022-09-04T14:36:07.630238Z",
"structure_string": "U2 B2 C2\n1.0\n3.310053 -0.000000 0.000000\n0.000000 3.468413 -1.039502\n-0.000000 -0.015235 6.255291\nU B C\n2 2 2\ndirect\n0.250000 0.861777 0.723553 U\n0.749999 0.138223 0.276447 U\n0.250000 0.534271 0.068543 B\n0.749999 0.465729 0.931457 B\n0.749999 0.334211 0.668420 C\n0.250000 0.665790 0.331580 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"B",
"C"
],
"chemical_system": "B-C-U",
"density": 12.071877088825092,
"density_atomic": 0.08360939975349889,
"volume": 71.76226617688296,
"volume_molar": 7.202707802896271,
"formula_full": "U2 B2 C2",
"formula_reduced": "UBC",
"formula_anonymous": "ABC",
"energy_above_hull": 4.703469527777777,
"spacegroup": 63
},
{
"id": "jvasp-63134",
"created_at": "2022-09-04T14:35:43.946558Z",
"updated_at": "2022-09-04T14:35:43.946585Z",
"structure_string": "Li6 Cu1 B4 O10\n1.0\n4.715464 -0.092307 -0.013840\n1.540149 6.074883 -0.029432\n2.313896 0.573689 6.818345\nLi Cu B O\n6 1 4 10\ndirect\n0.452662 0.633175 0.282560 Li\n0.523278 0.146445 0.219648 Li\n0.868789 0.373272 0.439925 Li\n0.946829 0.837427 0.341906 Li\n0.742165 0.834376 0.001629 Li\n0.893249 0.971187 0.629099 Li\n0.751318 0.327446 0.842012 Cu\n0.388739 0.114680 0.615067 B\n0.220990 0.016660 0.988528 B\n0.131504 0.538748 0.060099 B\n0.280613 0.610435 0.679523 B\n0.442578 0.026972 0.800370 O\n0.100543 0.208687 0.608790 O\n0.915874 0.087788 0.010470 O\n0.406428 0.423418 0.077821 O\n0.571623 0.500549 0.652054 O\n0.078217 0.619572 0.876154 O\n0.887611 0.598055 0.218173 O\n0.168868 0.717090 0.532949 O\n0.328414 0.922512 0.141441 O\n0.639907 0.090098 0.456290 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-Li-O",
"density": 2.605681397393381,
"density_atomic": 0.10684025006679727,
"volume": 196.5551371030174,
"volume_molar": 5.63658429874033,
"formula_full": "Li6 Cu1 B4 O10",
"formula_reduced": "Li6Cu(B2O5)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 2.652088370634921,
"spacegroup": 1
},
{
"id": "jvasp-52311",
"created_at": "2022-09-04T14:37:08.026935Z",
"updated_at": "2022-09-04T14:37:08.026962Z",
"structure_string": "Li2 Cu2 B2 O6\n1.0\n5.227227 -0.026754 -0.040890\n-2.589220 4.543112 0.027811\n-2.359231 -1.388093 4.772776\nLi Cu B O\n2 2 2 6\ndirect\n0.469038 0.394955 0.708686 Li\n0.530964 0.605046 0.291315 Li\n0.153884 0.774754 0.742994 Cu\n0.846118 0.225247 0.257007 Cu\n0.826121 0.083845 0.749012 B\n0.173881 0.916156 0.250989 B\n0.047991 0.315840 0.679457 O\n0.642670 0.140546 0.841094 O\n0.764727 0.795410 0.709265 O\n0.235275 0.204591 0.290736 O\n0.357332 0.859455 0.158907 O\n0.952011 0.684162 0.320544 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-Li-O",
"density": 3.812474256745739,
"density_atomic": 0.1065426050847594,
"volume": 112.63099856112457,
"volume_molar": 5.652331060620414,
"formula_full": "Li2 Cu2 B2 O6",
"formula_reduced": "LiCuBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.904542255555556,
"spacegroup": 2
},
{
"id": "jvasp-113989",
"created_at": "2022-09-04T14:38:51.891139Z",
"updated_at": "2022-09-04T14:38:51.891158Z",
"structure_string": "Cu2 B1 N2\n1.0\n2.627362 -0.000000 0.000000\n-0.000000 2.627362 0.000000\n-0.000000 -0.000000 6.744163\nCu B N\n2 1 2\ndirect\n0.500000 0.500000 0.828803 Cu\n0.500000 0.500000 0.171197 Cu\n0.000000 0.000000 0.500000 B\n0.000000 0.500000 0.375550 N\n0.500000 0.000000 0.624450 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"B",
"N"
],
"chemical_system": "B-Cu-N",
"density": 5.9179395753356685,
"density_atomic": 0.10739946486351556,
"volume": 46.55516679113863,
"volume_molar": 5.607235350430288,
"formula_full": "Cu2 B1 N2",
"formula_reduced": "Cu2BN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9676459966666666,
"spacegroup": 115
},
{
"id": "jvasp-113985",
"created_at": "2022-09-04T14:38:49.454206Z",
"updated_at": "2022-09-04T14:38:49.454231Z",
"structure_string": "Cu1 B1 N1\n1.0\n3.479118 0.000000 0.000000\n-1.739559 3.013005 -0.000000\n-0.000000 0.000000 3.480934\nCu B N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cu\n0.000000 0.000000 0.000000 B\n0.666668 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"B",
"N"
],
"chemical_system": "B-Cu-N",
"density": 4.021223295904694,
"density_atomic": 0.08221602102570805,
"volume": 36.48923850330744,
"volume_molar": 7.3247776830709705,
"formula_full": "Cu1 B1 N1",
"formula_reduced": "CuBN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.245408761111111,
"spacegroup": 187
},
{
"id": "jvasp-113986",
"created_at": "2022-09-04T14:38:51.744216Z",
"updated_at": "2022-09-04T14:38:51.744242Z",
"structure_string": "Cu1 B1 N2\n1.0\n2.625842 0.000000 0.000000\n0.000000 2.625842 -0.000000\n0.000000 0.000000 4.626917\nCu B N\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Cu\n0.000000 0.000000 0.000000 B\n0.499999 0.000000 0.183545 N\n0.000000 0.499999 0.816457 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"B",
"N"
],
"chemical_system": "B-Cu-N",
"density": 5.328372861387047,
"density_atomic": 0.12538081869026893,
"volume": 31.902806520041082,
"volume_molar": 4.803079787568329,
"formula_full": "Cu1 B1 N2",
"formula_reduced": "CuBN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5387848833333333,
"spacegroup": 115
},
{
"id": "jvasp-113988",
"created_at": "2022-09-04T14:38:46.350497Z",
"updated_at": "2022-09-04T14:38:46.350527Z",
"structure_string": "Cu1 B1 N2\n1.0\n1.277309 0.737455 5.571417\n-1.277309 0.737455 5.571417\n-0.000000 -1.474910 5.571417\nCu B N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 0.500002 B\n0.888255 0.888255 0.888261 N\n0.111742 0.111742 0.111743 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"B",
"N"
],
"chemical_system": "B-Cu-N",
"density": 5.398524610352889,
"density_atomic": 0.1270315447086433,
"volume": 31.488241831383775,
"volume_molar": 4.740665614837832,
"formula_full": "Cu1 B1 N2",
"formula_reduced": "CuBN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.738839883333333,
"spacegroup": 166
},
{
"id": "jvasp-113995",
"created_at": "2022-09-04T14:38:43.883273Z",
"updated_at": "2022-09-04T14:38:43.883307Z",
"structure_string": "Cu1 B1 O4\n1.0\n-2.555207 2.555208 2.348508\n2.555207 -2.555208 2.348508\n2.555208 2.555207 -2.348508\nCu B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 B\n0.618670 0.081061 0.812058 O\n0.193389 0.381330 0.462392 O\n0.269004 0.806611 0.187942 O\n-0.081062 0.730996 0.537607 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O",
"density": 3.7457459469277263,
"density_atomic": 0.09782432684447188,
"volume": 61.33443687825452,
"volume_molar": 6.156076871936396,
"formula_full": "Cu1 B1 O4",
"formula_reduced": "CuBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.386651172222223,
"spacegroup": 82
},
{
"id": "jvasp-21517",
"created_at": "2022-09-04T14:37:01.619088Z",
"updated_at": "2022-09-04T14:37:01.619107Z",
"structure_string": "Cu6 B12 O24\n1.0\n5.348850 0.000000 1.855274\n2.674425 8.184911 0.927637\n-0.007785 0.000000 8.660588\nCu B O\n6 12 24\ndirect\n0.500000 -0.000000 -0.000000 Cu\n0.206874 0.168126 0.668126 Cu\n0.125000 0.668126 0.831875 Cu\n0.625000 0.331874 0.168126 Cu\n0.043126 0.831874 0.331874 Cu\n0.750000 0.500000 0.500000 Cu\n0.367728 0.832551 0.537686 B\n0.737964 0.167449 0.462315 B\n0.882272 0.962315 0.667449 B\n0.625937 0.749063 0.249063 B\n0.155413 0.332551 0.962315 B\n0.512035 0.037685 0.332551 B\n0.125000 0.249063 0.250937 B\n0.625000 0.750937 0.749063 B\n0.624063 0.250937 0.750937 B\n0.799720 0.462315 0.832551 B\n0.450280 0.667449 0.037685 B\n0.094587 0.537685 0.167449 B\n0.234485 0.386271 0.238417 O\n0.859173 0.613729 0.761583 O\n0.334878 0.089394 0.229754 O\n0.654027 0.910606 0.770246 O\n0.575728 0.770246 0.089394 O\n0.372659 0.002341 0.502341 O\n0.595973 0.729754 0.589394 O\n0.435367 0.229754 0.910606 O\n0.527097 0.238417 0.613729 O\n0.722903 0.886270 0.261583 O\n0.015515 0.261583 0.113729 O\n0.390827 0.738417 0.886271 O\n0.870755 0.113729 0.738417 O\n0.625000 0.165828 0.334172 O\n0.209173 0.665828 0.165828 O\n0.125000 0.834172 0.665828 O\n0.814633 0.589394 0.270246 O\n0.125000 0.502341 0.997660 O\n0.625000 0.497659 0.002341 O\n0.877341 0.997659 0.497659 O\n0.674272 0.410606 0.729754 O\n0.915122 0.270246 0.410606 O\n0.379245 0.761583 0.386271 O\n0.040828 0.334172 0.834172 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O",
"density": 3.9184280924144708,
"density_atomic": 0.11073684466813444,
"volume": 379.2775577620002,
"volume_molar": 5.438244857028085,
"formula_full": "Cu6 B12 O24",
"formula_reduced": "Cu(BO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.671297088095238,
"spacegroup": 122
}
]
}