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=formula_anonymous&page=979",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=977",
"results": [
{
"id": "jvasp-86037",
"created_at": "2022-09-04T14:35:57.945914Z",
"updated_at": "2022-09-04T14:35:57.945947Z",
"structure_string": "Nd1 Al2 Ga2\n1.0\n3.967789 -0.000181 -1.413297\n-0.503167 3.935745 -1.413296\n0.029384 0.033380 6.363320\nNd Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250080 0.749918 0.499999 Al\n0.749918 0.250081 0.499999 Al\n0.611552 0.611552 0.223054 Ga\n0.388446 0.388447 0.776944 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Nd",
"density": 5.621178460951352,
"density_atomic": 0.05012797267129163,
"volume": 99.74470806523375,
"volume_molar": 12.013533440678899,
"formula_full": "Nd1 Al2 Ga2",
"formula_reduced": "Nd(AlGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7896843500000001,
"spacegroup": 139
},
{
"id": "jvasp-92603",
"created_at": "2022-09-04T14:35:55.271000Z",
"updated_at": "2022-09-04T14:35:55.271029Z",
"structure_string": "Li2 Hf1 N2\n1.0\n3.246774 0.000001 -0.000003\n-1.623386 2.811787 0.000000\n-0.000005 -0.000003 5.415725\nLi Hf N\n2 1 2\ndirect\n0.666666 0.333334 0.383888 Li\n0.333334 0.666668 0.616113 Li\n0.000000 0.000000 0.000000 Hf\n0.666666 0.333334 0.777219 N\n0.333334 0.666668 0.222781 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Hf",
"N"
],
"chemical_system": "Hf-Li-N",
"density": 7.401858161005522,
"density_atomic": 0.10112972943428689,
"volume": 49.44144543814835,
"volume_molar": 5.9548668761277845,
"formula_full": "Li2 Hf1 N2",
"formula_reduced": "Li2HfN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3823699,
"spacegroup": 164
},
{
"id": "jvasp-15607",
"created_at": "2022-09-04T14:35:52.001652Z",
"updated_at": "2022-09-04T14:35:52.001665Z",
"structure_string": "U1 Ni2 Ge2\n1.0\n3.823508 0.000000 -1.521794\n-0.586081 3.817749 -1.472528\n-0.048229 0.019856 5.443003\nU Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.758696 0.195579 0.517391 Ni\n0.241304 0.804422 0.482609 Ni\n0.630922 0.578959 0.261842 Ge\n0.369079 0.421042 0.738158 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-U",
"density": 10.484302297450945,
"density_atomic": 0.0630502148974475,
"volume": 79.30187086804708,
"volume_molar": 9.551340577974457,
"formula_full": "U1 Ni2 Ge2",
"formula_reduced": "U(NiGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.98228654,
"spacegroup": 12
},
{
"id": "jvasp-92439",
"created_at": "2022-09-04T14:35:48.393176Z",
"updated_at": "2022-09-04T14:35:48.393200Z",
"structure_string": "Np1 O2 F2\n1.0\n3.836105 -0.053125 4.097334\n1.583495 3.494435 4.097334\n-0.083665 -0.053125 5.612206\nNp O F\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.883174 0.883178 0.883171 O\n0.116826 0.116826 0.116825 O\n0.336647 0.336649 0.336646 F\n0.663352 0.663355 0.663350 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"O",
"F"
],
"chemical_system": "F-Np-O",
"density": 6.585406016708208,
"density_atomic": 0.06459089508336491,
"volume": 77.4102912422362,
"volume_molar": 9.323513402666832,
"formula_full": "Np1 O2 F2",
"formula_reduced": "Np(OF)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.849947513,
"spacegroup": 166
},
{
"id": "jvasp-87927",
"created_at": "2022-09-04T14:35:55.206867Z",
"updated_at": "2022-09-04T14:35:55.206884Z",
"structure_string": "Eu1 Fe2 As2\n1.0\n3.809407 0.000000 -1.168146\n-0.358209 3.792528 -1.168146\n-0.300087 -0.329766 5.816843\nEu Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.249999 0.499999 Fe\n0.250000 0.750000 0.499999 Fe\n0.635185 0.635185 0.270369 As\n0.364815 0.364814 0.729629 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Fe",
"As"
],
"chemical_system": "As-Eu-Fe",
"density": 8.466158358962325,
"density_atomic": 0.06165023288155378,
"volume": 81.10269444733984,
"volume_molar": 9.768236839543018,
"formula_full": "Eu1 Fe2 As2",
"formula_reduced": "Eu(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6444029,
"spacegroup": 139
},
{
"id": "jvasp-92519",
"created_at": "2022-09-04T14:35:55.203088Z",
"updated_at": "2022-09-04T14:35:55.203123Z",
"structure_string": "Ba1 Mn2 Bi2\n1.0\n4.599884 0.000000 -0.000000\n0.000000 4.599884 -0.000000\n-2.299943 -2.299943 6.842013\nBa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.631079 0.631079 0.262159 Bi\n0.368921 0.368921 0.737840 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Bi"
],
"chemical_system": "Ba-Bi-Mn",
"density": 7.629570798146883,
"density_atomic": 0.03453761545948033,
"volume": 144.76969337579254,
"volume_molar": 17.436469425821247,
"formula_full": "Ba1 Mn2 Bi2",
"formula_reduced": "Ba(MnBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.124175810551725,
"spacegroup": 139
},
{
"id": "jvasp-62754",
"created_at": "2022-09-04T14:35:58.011750Z",
"updated_at": "2022-09-04T14:35:58.011779Z",
"structure_string": "Pr2 B4 C4\n1.0\n3.829952 -0.000000 0.000000\n0.000000 3.829952 0.000000\n0.000000 0.000000 7.815654\nPr B C\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.750000 Pr\n0.500000 0.215987 0.500000 B\n0.500000 0.784012 0.500000 B\n0.784012 0.500000 0.000000 B\n0.215987 0.500000 0.000000 B\n0.186960 0.500000 0.500000 C\n0.813040 0.500000 0.500000 C\n0.500000 0.186960 0.000000 C\n0.500000 0.813040 0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"B",
"C"
],
"chemical_system": "B-C-Pr",
"density": 5.404117757968264,
"density_atomic": 0.08722641291310645,
"volume": 114.64417331894455,
"volume_molar": 6.904033490405205,
"formula_full": "Pr2 B4 C4",
"formula_reduced": "Pr(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.770207003333333,
"spacegroup": 131
},
{
"id": "jvasp-15648",
"created_at": "2022-09-04T14:35:51.756875Z",
"updated_at": "2022-09-04T14:35:51.756890Z",
"structure_string": "Pr1 Si2 Os2\n1.0\n3.955986 -0.000000 -1.533999\n-0.594834 3.911010 -1.533999\n-0.022348 -0.026003 5.810358\nPr Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.633315 0.633314 0.266628 Si\n0.366687 0.366687 0.733373 Si\n0.250001 0.750000 0.500000 Os\n0.750001 0.250000 0.500000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Os"
],
"chemical_system": "Os-Pr-Si",
"density": 10.70559836109132,
"density_atomic": 0.05581498335461784,
"volume": 89.58168039274935,
"volume_molar": 10.789469776849373,
"formula_full": "Pr1 Si2 Os2",
"formula_reduced": "Pr(SiOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.10573541,
"spacegroup": 139
},
{
"id": "jvasp-3501",
"created_at": "2022-09-04T14:35:51.475700Z",
"updated_at": "2022-09-04T14:35:51.475740Z",
"structure_string": "Na2 Pt1 O2\n1.0\n3.041988 0.000000 -0.892742\n-0.557716 4.142692 -1.900398\n-0.037511 -0.025160 5.501291\nNa Pt O\n2 1 2\ndirect\n0.675363 0.675380 0.350726 Na\n0.324636 0.324619 0.649274 Na\n0.000000 0.000000 0.000000 Pt\n0.359869 0.859832 0.719740 O\n0.640130 0.140168 0.280259 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Pt",
"O"
],
"chemical_system": "Na-O-Pt",
"density": 6.568539482348647,
"density_atomic": 0.07243157290125389,
"volume": 69.03066990988184,
"volume_molar": 8.314248219088098,
"formula_full": "Na2 Pt1 O2",
"formula_reduced": "Na2PtO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0321052799999997,
"spacegroup": 71
},
{
"id": "jvasp-63652",
"created_at": "2022-09-04T14:35:52.025125Z",
"updated_at": "2022-09-04T14:35:52.025154Z",
"structure_string": "Nd1 Ge2 Au2\n1.0\n-2.234711 2.234711 5.244896\n2.234711 -2.234711 5.244896\n2.234711 2.234711 -5.244896\nNd Ge Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.617484 0.617484 0.000000 Ge\n0.382517 0.382517 0.000000 Ge\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-Nd",
"density": 10.832270694104553,
"density_atomic": 0.04772329247809664,
"volume": 104.7706421826371,
"volume_molar": 12.618871094788686,
"formula_full": "Nd1 Ge2 Au2",
"formula_reduced": "Nd(GeAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7663017079999999,
"spacegroup": 139
},
{
"id": "jvasp-92530",
"created_at": "2022-09-04T14:35:51.957275Z",
"updated_at": "2022-09-04T14:35:51.957284Z",
"structure_string": "Sr2 Ge2 Pb1\n1.0\n-4.065531 -0.000000 0.000000\n0.000000 0.000000 -4.640084\n2.032766 -7.736111 0.000000\nSr Ge Pb\n2 2 1\ndirect\n0.368609 0.500000 0.737219 Sr\n0.631390 0.500000 0.262780 Sr\n0.200635 0.000000 0.401270 Ge\n0.799364 0.000000 0.598730 Ge\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Pb"
],
"chemical_system": "Ge-Pb-Sr",
"density": 6.0046381208121336,
"density_atomic": 0.03426132796643006,
"volume": 145.9371336948498,
"volume_molar": 17.577079224426488,
"formula_full": "Sr2 Ge2 Pb1",
"formula_reduced": "Sr2Ge2Pb",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0330530679999998,
"spacegroup": 65
},
{
"id": "jvasp-15609",
"created_at": "2022-09-04T14:35:58.075686Z",
"updated_at": "2022-09-04T14:35:58.075713Z",
"structure_string": "Ce1 Si2 Ag2\n1.0\n3.975535 0.000000 -1.470283\n-0.543758 3.938173 -1.470283\n0.010318 0.011841 6.137818\nCe Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.608460 0.608461 0.216923 Si\n0.391538 0.391538 0.783078 Si\n0.749999 0.250000 0.500000 Ag\n0.250000 0.749999 0.500000 Ag\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ag"
],
"chemical_system": "Ag-Ce-Si",
"density": 7.109539385602663,
"density_atomic": 0.05195657204622235,
"volume": 96.23421644429945,
"volume_molar": 11.59071994711756,
"formula_full": "Ce1 Si2 Ag2",
"formula_reduced": "Ce(SiAg)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.611745444,
"spacegroup": 139
}
]
}