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=created_at&page=923",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=921",
"results": [
{
"id": "jvasp-63865",
"created_at": "2022-09-04T14:36:11.315697Z",
"updated_at": "2022-09-04T14:36:11.315731Z",
"structure_string": "Au4 Cl8\n1.0\n6.768245 0.157767 -0.024385\n0.626987 6.678119 0.057981\n2.230808 0.196529 6.745722\nAu Cl\n4 8\ndirect\n0.735979 0.516600 0.468807 Au\n0.264023 0.483401 0.531192 Au\n0.638224 0.234168 0.088535 Au\n0.361778 0.765833 0.911463 Au\n0.851675 0.219316 0.299217 Cl\n0.148327 0.780685 0.700782 Cl\n0.343269 0.181252 0.371909 Cl\n0.656733 0.818748 0.628090 Cl\n0.427367 0.258457 0.885335 Cl\n0.572635 0.741543 0.114663 Cl\n0.925312 0.287709 0.817431 Cl\n0.074690 0.712291 0.182568 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Au",
"Cl"
],
"chemical_system": "Au-Cl",
"density": 5.8424774801678785,
"density_atomic": 0.03940405908250351,
"volume": 304.53715377074775,
"volume_molar": 15.283046722143398,
"formula_full": "Au4 Cl8",
"formula_reduced": "AuCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1047585683333333,
"spacegroup": 2
},
{
"id": "jvasp-85306",
"created_at": "2022-09-04T14:36:11.321353Z",
"updated_at": "2022-09-04T14:36:11.321362Z",
"structure_string": "Ce4 C2 Br5\n1.0\n3.765906 0.000038 -0.761294\n-0.671613 7.437672 -3.322994\n0.059368 -0.026766 9.988168\nCe C Br\n4 2 5\ndirect\n0.331747 0.331676 0.663454 Ce\n0.668255 0.668323 0.336547 Ce\n1.000003 0.299001 -0.000008 Ce\n-0.000001 0.700999 1.000009 Ce\n0.539629 0.539644 0.079265 C\n0.460373 0.460355 0.920736 C\n0.835174 0.619349 0.670355 Br\n0.500001 0.000000 0.000000 Br\n0.835193 0.050863 0.670323 Br\n0.164809 0.949137 0.329678 Br\n0.164828 0.380651 0.329646 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"C",
"Br"
],
"chemical_system": "Br-C-Ce",
"density": 5.840812079741399,
"density_atomic": 0.03932052787512462,
"volume": 279.7520937392842,
"volume_molar": 15.315513512751673,
"formula_full": "Ce4 C2 Br5",
"formula_reduced": "Ce4C2Br5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 2.112873865909091,
"spacegroup": 71
},
{
"id": "jvasp-97978",
"created_at": "2022-09-04T14:36:11.321634Z",
"updated_at": "2022-09-04T14:36:11.321647Z",
"structure_string": "Yb4 In4 Rh4\n1.0\n4.165103 -0.000000 0.000000\n0.000000 7.141033 0.000000\n0.000000 0.000000 8.479686\nYb In Rh\n4 4 4\ndirect\n0.250000 0.528457 0.675869 Yb\n0.749999 0.471543 0.324131 Yb\n0.250000 0.028457 0.824132 Yb\n0.749999 0.971542 0.175869 Yb\n0.749999 0.851116 0.563252 In\n0.250000 0.148884 0.436749 In\n0.749999 0.351116 0.936749 In\n0.250000 0.648884 0.063251 In\n0.250000 0.264221 0.132210 Rh\n0.749999 0.735779 0.867790 Rh\n0.250000 0.764221 0.367790 Rh\n0.749999 0.235779 0.632210 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Yb",
"density": 10.290975000142675,
"density_atomic": 0.04757893203683328,
"volume": 252.2124706521405,
"volume_molar": 12.657158330787993,
"formula_full": "Yb4 In4 Rh4",
"formula_reduced": "YbInRh",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2895576533333333,
"spacegroup": 62
},
{
"id": "jvasp-14881",
"created_at": "2022-09-04T14:36:11.322746Z",
"updated_at": "2022-09-04T14:36:11.322767Z",
"structure_string": "La1 N1\n1.0\n3.246469 0.000000 1.874349\n1.082156 3.060800 1.874349\n-0.000000 -0.000000 3.748699\nLa N\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"N"
],
"chemical_system": "La-N",
"density": 6.816545935621197,
"density_atomic": 0.05369121259021151,
"volume": 37.25004341519792,
"volume_molar": 11.216250238121651,
"formula_full": "La1 N1",
"formula_reduced": "LaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5773191249999998,
"spacegroup": 225
},
{
"id": "jvasp-74307",
"created_at": "2022-09-04T14:36:11.323614Z",
"updated_at": "2022-09-04T14:36:11.323630Z",
"structure_string": "Be2 Nb1 Se1\n1.0\n2.774131 0.000000 0.000000\n0.000000 2.774131 -0.000000\n-0.000000 -0.000000 8.177335\nBe Nb Se\n2 1 1\ndirect\n0.000000 0.000000 0.783331 Be\n0.000000 0.000000 0.216668 Be\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Se"
],
"chemical_system": "Be-Nb-Se",
"density": 5.010570449743289,
"density_atomic": 0.0635615194528454,
"volume": 62.93115763174123,
"volume_molar": 9.474507236202347,
"formula_full": "Be2 Nb1 Se1",
"formula_reduced": "Be2NbSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7428262416666667,
"spacegroup": 123
},
{
"id": "jvasp-70164",
"created_at": "2022-09-04T14:36:11.324163Z",
"updated_at": "2022-09-04T14:36:11.324180Z",
"structure_string": "Li1 Ti1 Be2\n1.0\n-1.986016 1.986016 2.809244\n1.986016 -1.986016 2.809244\n1.986016 1.986016 -2.809244\nLi Ti Be\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Li\n0.750001 0.250000 0.500001 Ti\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Be"
],
"chemical_system": "Be-Li-Ti",
"density": 2.7287174283270814,
"density_atomic": 0.09024955144023442,
"volume": 44.32154992647142,
"volume_molar": 6.672765308964464,
"formula_full": "Li1 Ti1 Be2",
"formula_reduced": "LiTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.073602633333333,
"spacegroup": 216
},
{
"id": "jvasp-66353",
"created_at": "2022-09-04T14:36:11.327128Z",
"updated_at": "2022-09-04T14:36:11.327147Z",
"structure_string": "Ba4 Sb1 Pd1\n1.0\n0.000000 4.868960 4.868960\n4.868960 0.000000 4.868960\n4.868960 4.868960 0.000000\nBa Sb Pd\n4 1 1\ndirect\n0.124161 0.625280 0.625280 Ba\n0.625280 0.625280 0.625280 Ba\n0.625280 0.124161 0.625280 Ba\n0.625280 0.625280 0.124161 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pd"
],
"chemical_system": "Ba-Pd-Sb",
"density": 5.5924766105013966,
"density_atomic": 0.02599038032001966,
"volume": 230.85464414610234,
"volume_molar": 23.170652702458973,
"formula_full": "Ba4 Sb1 Pd1",
"formula_reduced": "Ba4SbPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.45540428,
"spacegroup": 216
},
{
"id": "jvasp-74774",
"created_at": "2022-09-04T14:36:11.329406Z",
"updated_at": "2022-09-04T14:36:11.329434Z",
"structure_string": "La1 Be2 Tl1\n1.0\n-2.468128 2.468128 3.490568\n2.468128 -2.468128 3.490568\n2.468128 2.468128 -3.490568\nLa Be Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500000 Be\n0.750001 0.250000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Be",
"Tl"
],
"chemical_system": "Be-La-Tl",
"density": 7.05409645980301,
"density_atomic": 0.047029302654945114,
"volume": 85.05335555043365,
"volume_molar": 12.805081980875968,
"formula_full": "La1 Be2 Tl1",
"formula_reduced": "LaBe2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.33258995,
"spacegroup": 216
},
{
"id": "jvasp-97820",
"created_at": "2022-09-04T14:36:11.331433Z",
"updated_at": "2022-09-04T14:36:11.331452Z",
"structure_string": "Na8 Si8 O20\n1.0\n4.851156 0.000000 0.000000\n0.000000 7.893372 -1.983907\n0.000000 0.009723 12.264646\nNa Si O\n8 8 20\ndirect\n0.778213 0.861197 0.526776 Na\n0.753261 0.379700 0.444258 Na\n0.253260 0.620300 0.055742 Na\n0.246740 0.620299 0.555742 Na\n0.746741 0.379700 0.944258 Na\n0.221787 0.138802 0.473224 Na\n0.721788 0.861198 0.026776 Na\n0.278213 0.138802 0.973224 Na\n0.201950 0.402311 0.776784 Si\n0.178708 0.026384 0.180860 Si\n0.678708 0.973615 0.319140 Si\n0.821293 0.973615 0.819140 Si\n0.321292 0.026384 0.680860 Si\n0.298050 0.402312 0.276783 Si\n0.798051 0.597688 0.223216 Si\n0.701951 0.597688 0.723216 Si\n0.652028 0.016869 0.712649 O\n0.152027 0.983130 0.787351 O\n0.258176 0.903744 0.561222 O\n0.629174 0.449451 0.267597 O\n0.758177 0.096255 0.938778 O\n0.741825 0.096256 0.438778 O\n0.241824 0.903744 0.061222 O\n0.267721 0.389422 0.902229 O\n0.767721 0.610577 0.597771 O\n0.732280 0.610577 0.097771 O\n0.847974 0.016869 0.212649 O\n0.232279 0.389422 0.402229 O\n0.755299 0.774452 0.821651 O\n0.744702 0.774452 0.321650 O\n0.244701 0.225547 0.178349 O\n0.870827 0.449451 0.767598 O\n0.370827 0.550548 0.732403 O\n0.129173 0.550548 0.232402 O\n0.255299 0.225547 0.678349 O\n0.347973 0.983131 0.287351 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 2.5756274267558217,
"density_atomic": 0.07663958532462922,
"volume": 469.7311428227533,
"volume_molar": 7.857741837317456,
"formula_full": "Na8 Si8 O20",
"formula_reduced": "Na2Si2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.925534744444444,
"spacegroup": 14
},
{
"id": "jvasp-75750",
"created_at": "2022-09-04T14:36:11.332564Z",
"updated_at": "2022-09-04T14:36:11.332597Z",
"structure_string": "Ni2 Hg1 As1\n1.0\n-0.000000 3.137813 3.137813\n3.137813 -0.000000 3.137813\n3.137813 3.137813 0.000000\nNi Hg As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n0.749999 0.749999 0.749999 Hg\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Hg",
"As"
],
"chemical_system": "As-Hg-Ni",
"density": 10.55888811892567,
"density_atomic": 0.06473644132247558,
"volume": 61.78900041901525,
"volume_molar": 9.30255144857522,
"formula_full": "Ni2 Hg1 As1",
"formula_reduced": "Ni2HgAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7941152874999999,
"spacegroup": 216
},
{
"id": "jvasp-86980",
"created_at": "2022-09-04T14:36:11.334997Z",
"updated_at": "2022-09-04T14:36:11.335031Z",
"structure_string": "B5 Mo2\n1.0\n3.025410 0.008103 6.774613\n1.450482 2.655046 6.774613\n0.013618 0.008103 7.419454\nB Mo\n5 2\ndirect\n0.500000 0.500000 0.499999 B\n0.815376 0.815374 0.815374 B\n0.331314 0.331313 0.331313 B\n0.668687 0.668686 0.668685 B\n0.184625 0.184625 0.184625 B\n0.924124 0.924122 0.924122 Mo\n0.075877 0.075877 0.075877 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900759558648671,
"density_atomic": 0.11828386280611289,
"volume": 59.17967027737482,
"volume_molar": 5.091261493439135,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619647816666666,
"spacegroup": 166
},
{
"id": "jvasp-32309",
"created_at": "2022-09-04T14:36:11.335600Z",
"updated_at": "2022-09-04T14:36:11.335617Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n6.599774 -0.034666 0.000000\n-2.238506 9.673726 0.000000\n0.000000 0.000000 11.386106\nTa Te Br\n2 2 18\ndirect\n0.636832 0.136265 0.750000 Ta\n0.363166 0.863735 0.250000 Ta\n0.758792 0.540005 0.750000 Te\n0.241207 0.459995 0.250000 Te\n0.965503 0.676600 0.581239 Br\n0.034496 0.323400 0.081239 Br\n0.034496 0.323400 0.418761 Br\n0.965503 0.676600 0.918761 Br\n0.756858 0.009367 0.590106 Br\n0.243141 0.990633 0.090106 Br\n0.243141 0.990633 0.409894 Br\n0.533548 0.306411 0.594335 Br\n0.001924 0.314402 0.750000 Br\n0.543501 0.339269 0.250000 Br\n0.456497 0.660731 0.750000 Br\n0.722922 0.000114 0.250000 Br\n0.277077 -0.000115 0.750000 Br\n0.533548 0.306411 0.905666 Br\n0.466451 0.693589 0.405665 Br\n0.466451 0.693589 0.094335 Br\n-0.001924 0.685599 0.250000 Br\n0.756858 0.009367 0.909895 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Te",
"Br"
],
"chemical_system": "Br-Ta-Te",
"density": 4.7007673262098475,
"density_atomic": 0.03030070957330785,
"volume": 726.0556043010948,
"volume_molar": 19.874586584945707,
"formula_full": "Ta2 Te2 Br18",
"formula_reduced": "TaTeBr9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.6941894465151507,
"spacegroup": 11
}
]
}