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=elements&page=543",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=541",
"results": [
{
"id": "jvasp-79163",
"created_at": "2022-09-04T14:37:57.001182Z",
"updated_at": "2022-09-04T14:37:57.001196Z",
"structure_string": "Mg3 Nb1\n1.0\n6.306030 0.328464 -0.000000\n-1.434277 2.484242 0.000000\n-0.000000 0.000000 5.050789\nMg Nb\n3 1\ndirect\n0.649772 0.649771 0.250000 Mg\n0.331448 0.331448 0.750000 Mg\n0.866631 0.366630 0.750000 Mg\n0.152147 0.652146 0.250000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 3.3784121631683863,
"density_atomic": 0.049077564301845775,
"volume": 81.5036372913389,
"volume_molar": 12.2706594055107,
"formula_full": "Mg3 Nb1",
"formula_reduced": "Mg3Nb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8367745571428574,
"spacegroup": 25
},
{
"id": "jvasp-91899",
"created_at": "2022-09-04T14:35:46.086517Z",
"updated_at": "2022-09-04T14:35:46.086542Z",
"structure_string": "Mg7 Nb1\n1.0\n6.304156 -0.000000 -0.000000\n-3.152077 5.459559 0.000000\n-0.000000 0.000000 4.960253\nMg Nb\n7 1\ndirect\n0.169785 0.834892 0.250000 Mg\n0.665108 0.330215 0.250000 Mg\n0.665108 0.834892 0.250000 Mg\n0.325403 0.174597 0.750000 Mg\n0.325403 0.650807 0.750000 Mg\n0.849194 0.174597 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 2.558496505865191,
"density_atomic": 0.04685993085228762,
"volume": 170.72154940257352,
"volume_molar": 12.851365015844896,
"formula_full": "Mg7 Nb1",
"formula_reduced": "Mg7Nb",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-105819",
"created_at": "2022-09-04T14:35:47.061727Z",
"updated_at": "2022-09-04T14:35:47.061752Z",
"structure_string": "Mg1 Nb3\n1.0\n3.965218 -0.287338 -2.543236\n-1.336199 3.744341 -2.543236\n0.218518 0.287338 4.705662\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000001 Nb\n0.750001 0.250000 0.499999 Nb\n0.250000 0.750000 0.499999 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.783865369512413,
"density_atomic": 0.053927574438407753,
"volume": 74.17355669442385,
"volume_molar": 11.16708997709152,
"formula_full": "Mg1 Nb3",
"formula_reduced": "MgNb3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.978350285714286,
"spacegroup": 225
},
{
"id": "jvasp-102531",
"created_at": "2022-09-04T14:36:55.182379Z",
"updated_at": "2022-09-04T14:36:55.182402Z",
"structure_string": "Mg1 Nb3\n1.0\n4.192384 -0.000000 0.000000\n0.000000 4.192384 0.000000\n0.000000 0.000000 4.192384\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n-0.000000 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.828780610024606,
"density_atomic": 0.05428462308902305,
"volume": 73.68569168179127,
"volume_molar": 11.093640182642703,
"formula_full": "Mg1 Nb3",
"formula_reduced": "MgNb3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9727802857142858,
"spacegroup": 221
},
{
"id": "jvasp-78471",
"created_at": "2022-09-04T14:37:11.030642Z",
"updated_at": "2022-09-04T14:37:11.030673Z",
"structure_string": "Mg1 Nb2\n1.0\n-1.453343 -2.517264 -0.000000\n1.453343 -2.517264 -0.000000\n-0.000000 -1.678175 7.822947\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.222352 0.222352 0.332943 Nb\n0.777647 0.777647 0.667058 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.095573720542175,
"density_atomic": 0.052411185476297945,
"volume": 57.23968982454515,
"volume_molar": 11.490182306071684,
"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.110067247619047,
"spacegroup": 166
},
{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.094693296232851,
"density_atomic": 0.052403615379718126,
"volume": 57.24795852847008,
"volume_molar": 11.491842149369644,
"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0997805809523804,
"spacegroup": 12
},
{
"id": "jvasp-11966",
"created_at": "2022-09-04T14:35:55.934628Z",
"updated_at": "2022-09-04T14:35:55.934653Z",
"structure_string": "Mg12 Ni6\n1.0\n5.188746 0.000000 -0.000000\n-2.594373 4.493586 -0.000000\n-0.000000 0.000000 13.135996\nMg Ni\n12 6\ndirect\n0.500000 0.000000 0.116138 Mg\n0.835837 0.671671 0.000000 Mg\n0.164165 0.835836 0.333333 Mg\n0.671671 0.835836 0.666667 Mg\n0.835836 0.164165 0.333333 Mg\n0.164165 0.328330 0.000000 Mg\n0.328330 0.164165 0.666667 Mg\n0.500001 0.500000 0.217195 Mg\n0.500000 0.000000 0.883862 Mg\n0.000001 0.500000 0.782805 Mg\n0.500001 0.500000 0.449472 Mg\n0.000001 0.500000 0.550528 Mg\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.166667 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.833333 Ni\n0.000001 0.500000 0.166667 Ni\n0.500001 0.500000 0.833333 Ni\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 3.490561981298755,
"density_atomic": 0.058769775021527415,
"volume": 306.2798861048317,
"volume_molar": 10.247003256000358,
"formula_full": "Mg12 Ni6",
"formula_reduced": "Mg2Ni",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2744024761904762,
"spacegroup": 180
},
{
"id": "jvasp-79172",
"created_at": "2022-09-04T14:37:52.202647Z",
"updated_at": "2022-09-04T14:37:52.202666Z",
"structure_string": "Mg3 Ni1\n1.0\n5.638771 -1.509507 0.000000\n-2.063329 3.573792 0.000000\n0.000000 0.000000 4.128500\nMg Ni\n3 1\ndirect\n0.749984 0.749983 0.250000 Mg\n0.250022 0.250022 0.750000 Mg\n0.749979 0.249979 0.750000 Mg\n0.250013 0.750013 0.250000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 3.107009459609039,
"density_atomic": 0.056868249488279586,
"volume": 70.33801877134253,
"volume_molar": 10.589636245513674,
"formula_full": "Mg3 Ni1",
"formula_reduced": "Mg3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2261824857142857,
"spacegroup": 221
},
{
"id": "jvasp-11989",
"created_at": "2022-09-04T14:36:56.055000Z",
"updated_at": "2022-09-04T14:36:56.055023Z",
"structure_string": "Mg3 Ni3\n1.0\n-4.309510 2.441414 -0.016600\n-0.040429 -4.952852 0.016600\n-1.403742 2.431352 4.080805\nMg Ni\n3 3\ndirect\n0.500054 0.833389 0.000002 Mg\n0.880290 0.453126 0.380231 Mg\n0.119791 0.213623 0.619771 Mg\n0.499921 0.333308 -0.000026 Ni\n0.499969 0.833303 0.500001 Ni\n0.999972 0.833254 0.000027 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 4.712453093819972,
"density_atomic": 0.0683845854033055,
"volume": 87.73907108764863,
"volume_molar": 8.806283937357772,
"formula_full": "Mg3 Ni3",
"formula_reduced": "MgNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.3782274571428571,
"spacegroup": 166
},
{
"id": "jvasp-109566",
"created_at": "2022-09-04T14:38:28.473956Z",
"updated_at": "2022-09-04T14:38:28.473977Z",
"structure_string": "Mg1 Ni5\n1.0\n3.916993 0.002303 2.841819\n1.450446 3.638550 2.841819\n0.003394 0.002303 4.839293\nMg Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.823744 0.499999 0.176257 Ni\n0.176257 0.823743 0.500000 Ni\n0.499999 0.176255 0.823744 Ni\n0.329919 0.329919 0.329920 Ni\n0.670080 0.670080 0.670081 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 7.65819025397079,
"density_atomic": 0.08707884840491274,
"volume": 68.90307014741707,
"volume_molar": 6.915733120398326,
"formula_full": "Mg1 Ni5",
"formula_reduced": "MgNi5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.925889085714286,
"spacegroup": 155
},
{
"id": "jvasp-108655",
"created_at": "2022-09-04T14:38:20.287712Z",
"updated_at": "2022-09-04T14:38:20.287744Z",
"structure_string": "Mg1 Ni3\n1.0\n3.318343 -0.022160 -2.897373\n-0.699464 3.243862 -2.897373\n0.018014 0.022160 4.405207\nMg Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000001 Ni\n0.749999 0.250000 0.500000 Ni\n0.250000 0.749999 0.500001 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 6.964320211809325,
"density_atomic": 0.0837189904797807,
"volume": 47.77888477962543,
"volume_molar": 7.193279237468148,
"formula_full": "Mg1 Ni3",
"formula_reduced": "MgNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7395899285714285,
"spacegroup": 139
},
{
"id": "jvasp-11969",
"created_at": "2022-09-04T14:36:04.321838Z",
"updated_at": "2022-09-04T14:36:04.321866Z",
"structure_string": "Mg8 Ni16\n1.0\n4.804482 -0.000000 -0.000000\n-2.402241 4.160803 -0.000000\n-0.000000 0.000000 15.769305\nMg Ni\n8 16\ndirect\n0.000000 0.000000 0.093127 Mg\n0.000000 0.000000 0.593127 Mg\n0.000000 0.000000 0.906873 Mg\n0.000000 0.000000 0.406873 Mg\n0.333333 0.666666 0.844107 Mg\n0.666667 0.333333 0.344106 Mg\n0.666667 0.333333 0.155894 Mg\n0.333333 0.666666 0.655894 Mg\n0.666667 0.333333 0.625162 Ni\n0.333333 0.666666 0.125162 Ni\n0.835831 0.164169 0.750000 Ni\n0.671662 0.835830 0.250000 Ni\n0.164169 0.328338 0.250000 Ni\n0.835831 0.671662 0.750000 Ni\n0.328338 0.164169 0.750000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.666667 0.333333 0.874839 Ni\n0.500000 0.000000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.164169 0.835830 0.250000 Ni\n0.333333 0.666666 0.374838 Ni\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 5.971006229268184,
"density_atomic": 0.0761333542320365,
"volume": 315.23634078768765,
"volume_molar": 7.909990070378268,
"formula_full": "Mg8 Ni16",
"formula_reduced": "MgNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5463324380952381,
"spacegroup": 194
}
]
}