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=nelements&page=426",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=424",
"results": [
{
"id": "jvasp-18390",
"created_at": "2022-09-04T14:38:08.661228Z",
"updated_at": "2022-09-04T14:38:08.661253Z",
"structure_string": "Ti1 H2\n1.0\n2.714210 0.000000 1.567051\n0.904737 2.558983 1.567051\n0.000000 0.000000 3.134100\nTi H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.749999 0.749999 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 3.8051950284525624,
"density_atomic": 0.13781533918157463,
"volume": 21.768259018304462,
"volume_molar": 4.369717330278964,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4860394444444447,
"spacegroup": 225
},
{
"id": "jvasp-30046",
"created_at": "2022-09-04T14:38:04.615439Z",
"updated_at": "2022-09-04T14:38:04.615459Z",
"structure_string": "Bi2 F6\n1.0\n4.101011 -0.000000 -0.000000\n-2.050506 3.551580 -0.000000\n-0.000000 0.000000 7.196056\nBi F\n2 6\ndirect\n0.666666 0.333333 0.750000 Bi\n0.333332 0.666667 0.250000 Bi\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.333332 0.666667 0.578667 F\n0.333332 0.666667 0.921334 F\n0.666666 0.333333 0.078667 F\n0.666666 0.333333 0.421334 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 8.42779252876572,
"density_atomic": 0.07632783020694359,
"volume": 104.81104963039071,
"volume_molar": 7.889836175969486,
"formula_full": "Bi2 F6",
"formula_reduced": "BiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0100325,
"spacegroup": 194
},
{
"id": "jvasp-14109",
"created_at": "2022-09-04T14:38:17.643334Z",
"updated_at": "2022-09-04T14:38:17.643362Z",
"structure_string": "P4 Cl20\n1.0\n8.982714 0.000000 -0.000000\n-0.000000 8.982714 0.000000\n-0.000000 0.000000 7.634685\nP Cl\n4 20\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.500000 -0.000000 0.613829 P\n0.000000 0.500000 0.386170 P\n0.921039 0.728217 0.391393 Cl\n0.771783 0.421039 0.391393 Cl\n0.271783 0.921039 0.608606 Cl\n0.421039 0.228217 0.608606 Cl\n0.578960 0.771783 0.608606 Cl\n0.728217 0.078960 0.608606 Cl\n0.000000 0.500000 0.678327 Cl\n0.500000 -0.000000 0.321672 Cl\n0.000000 0.500000 0.103678 Cl\n0.328457 0.551122 0.852419 Cl\n0.078960 0.271783 0.391393 Cl\n0.051122 0.171542 0.852419 Cl\n0.948878 0.828457 0.852419 Cl\n0.671542 0.448878 0.852419 Cl\n0.171542 0.948878 0.147580 Cl\n0.448878 0.328457 0.147580 Cl\n0.551122 0.671542 0.147580 Cl\n0.828457 0.051122 0.147580 Cl\n0.500000 -0.000000 0.896321 Cl\n0.228217 0.578960 0.391393 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.245248391556522,
"density_atomic": 0.03895874638302818,
"volume": 616.0362493197485,
"volume_molar": 15.457737527774919,
"formula_full": "P4 Cl20",
"formula_reduced": "PCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5514826395833333,
"spacegroup": 85
},
{
"id": "jvasp-1906",
"created_at": "2022-09-04T14:38:08.784233Z",
"updated_at": "2022-09-04T14:38:08.784253Z",
"structure_string": "Na1 N3\n1.0\n3.435167 0.030401 4.362105\n1.532824 3.074369 4.362105\n0.048644 0.030401 5.552113\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.576602 0.576602 0.576602 N\n0.499999 0.500000 0.499999 N\n0.423397 0.423397 0.423397 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.8781084361825007,
"density_atomic": 0.0695908697827369,
"volume": 57.47880451110933,
"volume_molar": 8.653636287060584,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.646027187500001,
"spacegroup": 166
},
{
"id": "jvasp-37186",
"created_at": "2022-09-04T14:38:04.902706Z",
"updated_at": "2022-09-04T14:38:04.902731Z",
"structure_string": "Y1 Ag2\n1.0\n3.734370 -0.000000 -0.000000\n-0.000000 3.734370 -0.000000\n-1.867184 -1.867184 4.588841\nY Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.669049 0.669049 0.338098 Ag\n0.330952 0.330952 0.661902 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Ag"
],
"chemical_system": "Ag-Y",
"density": 7.904993748652285,
"density_atomic": 0.046879562908055644,
"volume": 63.9937707159059,
"volume_molar": 12.845983167145043,
"formula_full": "Y1 Ag2",
"formula_reduced": "YAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5745566566666669,
"spacegroup": 139
},
{
"id": "jvasp-110161",
"created_at": "2022-09-04T14:38:17.663585Z",
"updated_at": "2022-09-04T14:38:17.663602Z",
"structure_string": "Ta1 Ru1\n1.0\n3.008590 0.511788 0.000000\n-0.523169 3.006632 0.000000\n0.000000 0.000000 3.427853\nTa Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 14.66870646038033,
"density_atomic": 0.06264639327269542,
"volume": 31.925221796794247,
"volume_molar": 9.612908972725753,
"formula_full": "Ta1 Ru1",
"formula_reduced": "TaRu",
"formula_anonymous": "AB",
"energy_above_hull": 3.57742485,
"spacegroup": 123
},
{
"id": "jvasp-106230",
"created_at": "2022-09-04T14:38:17.633960Z",
"updated_at": "2022-09-04T14:38:17.633981Z",
"structure_string": "Ba1 Eu3\n1.0\n5.255167 -0.000000 0.000000\n-0.000000 5.255167 0.000000\n-0.000000 0.000000 5.255167\nBa Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Eu"
],
"chemical_system": "Ba-Eu",
"density": 6.787417827511751,
"density_atomic": 0.027561346193115604,
"volume": 145.13079194219975,
"volume_molar": 21.849951442155017,
"formula_full": "Ba1 Eu3",
"formula_reduced": "BaEu3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1223314925,
"spacegroup": 221
},
{
"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-278",
"created_at": "2022-09-04T14:38:04.622402Z",
"updated_at": "2022-09-04T14:38:04.622425Z",
"structure_string": "Te2 Pt1\n1.0\n2.040489 -3.534230 0.000000\n2.040489 3.534230 0.000000\n0.000000 -0.000000 5.382274\nTe Pt\n2 1\ndirect\n0.333333 0.666667 0.257125 Te\n0.666667 0.333333 0.742874 Te\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 9.631872992761842,
"density_atomic": 0.03864527384821538,
"volume": 77.62915620116736,
"volume_molar": 15.583123524115226,
"formula_full": "Te2 Pt1",
"formula_reduced": "Te2Pt",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1923656444444446,
"spacegroup": 164
},
{
"id": "jvasp-56551",
"created_at": "2022-09-04T14:38:20.285674Z",
"updated_at": "2022-09-04T14:38:20.285697Z",
"structure_string": "Ta2 N2\n1.0\n1.461221 -2.530910 0.000000\n1.461221 2.530910 0.000000\n-0.000000 -0.000000 5.920665\nTa N\n2 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.333333 0.666667 0.750001 N\n0.666667 0.333333 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.784935840675361,
"density_atomic": 0.09134123937061159,
"volume": 43.79182970980107,
"volume_molar": 6.5930140662592995,
"formula_full": "Ta2 N2",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy_above_hull": 3.408351225,
"spacegroup": 194
},
{
"id": "jvasp-108695",
"created_at": "2022-09-04T14:38:08.723854Z",
"updated_at": "2022-09-04T14:38:08.723885Z",
"structure_string": "Tm2 O4\n1.0\n3.567639 0.000000 0.000000\n-0.000000 3.922746 1.212028\n0.000000 -0.045559 6.012200\nTm O\n2 4\ndirect\n0.250000 0.171873 0.190135 Tm\n0.750000 0.828128 0.809865 Tm\n0.250000 0.806874 0.553898 O\n0.750000 0.193127 0.446102 O\n0.250000 0.733705 0.047969 O\n0.750000 0.266296 0.952032 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"O"
],
"chemical_system": "O-Tm",
"density": 7.912436420443278,
"density_atomic": 0.07114282401123646,
"volume": 84.3373886739771,
"volume_molar": 8.464860432091998,
"formula_full": "Tm2 O4",
"formula_reduced": "TmO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8263970833333338,
"spacegroup": 11
},
{
"id": "jvasp-109580",
"created_at": "2022-09-04T14:38:17.571770Z",
"updated_at": "2022-09-04T14:38:17.571798Z",
"structure_string": "Nd4 Mg2\n1.0\n7.025116 0.126972 1.822195\n5.984420 3.681724 1.822195\n0.033451 0.009793 7.413439\nNd Mg\n4 2\ndirect\n0.841564 0.841559 0.579108 Nd\n0.158439 0.158438 0.420893 Nd\n0.841450 0.841447 0.079245 Nd\n0.158553 0.158551 0.920756 Nd\n0.499983 0.499980 0.750173 Mg\n0.500020 0.500018 0.249829 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Mg"
],
"chemical_system": "Mg-Nd",
"density": 5.588630307695095,
"density_atomic": 0.03227944561366219,
"volume": 185.8767982514705,
"volume_molar": 18.656270718141286,
"formula_full": "Nd4 Mg2",
"formula_reduced": "Nd2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8076841666666668,
"spacegroup": 139
}
]
}