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=4160",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4158",
"results": [
{
"id": "jvasp-116435",
"created_at": "2022-09-04T14:38:41.008572Z",
"updated_at": "2022-09-04T14:38:41.008598Z",
"structure_string": "As2 N2 O2\n1.0\n-2.398329 2.548607 3.669260\n2.398329 -2.548607 3.669260\n2.398329 2.548607 -3.669260\nAs N O\n2 2 2\ndirect\n0.607036 0.357036 0.250000 As\n0.892963 0.142963 0.750000 As\n0.250001 0.053856 0.803855 N\n0.750000 0.446144 0.696144 N\n0.588306 0.749999 0.338306 O\n0.911693 0.250000 0.161694 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"As",
"N",
"O"
],
"chemical_system": "As-N-O",
"density": 3.884357002684013,
"density_atomic": 0.0668807511467572,
"volume": 89.71191108237004,
"volume_molar": 9.004295939777272,
"formula_full": "As2 N2 O2",
"formula_reduced": "AsNO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.890412833333333,
"spacegroup": 24
},
{
"id": "jvasp-116068",
"created_at": "2022-09-04T14:38:41.012013Z",
"updated_at": "2022-09-04T14:38:41.012034Z",
"structure_string": "Y2 O2 F2\n1.0\n1.902490 1.098403 6.317554\n-1.902490 1.098403 6.317554\n-0.000000 -2.196807 6.317554\nY O F\n2 2 2\ndirect\n0.241481 0.241481 0.241482 Y\n0.758518 0.758518 0.758521 Y\n0.878732 0.878732 0.878736 O\n0.121267 0.121267 0.121267 O\n0.630462 0.630462 0.630465 F\n0.369536 0.369536 0.369538 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"O",
"F"
],
"chemical_system": "F-O-Y",
"density": 5.194918833988354,
"density_atomic": 0.07574723987040007,
"volume": 79.21080702433139,
"volume_molar": 7.9503104935620055,
"formula_full": "Y2 O2 F2",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1446397441666667,
"spacegroup": 166
},
{
"id": "jvasp-115887",
"created_at": "2022-09-04T14:38:41.013706Z",
"updated_at": "2022-09-04T14:38:41.013734Z",
"structure_string": "W1 N1 Cl4\n1.0\n-4.114456 4.114456 1.989520\n4.114456 -4.114456 1.989520\n4.114456 4.114456 -1.989520\nW N Cl\n1 1 4\ndirect\n0.000370 0.000370 0.000000 W\n0.445206 0.445206 -0.000000 N\n0.199133 0.002937 0.347308 Cl\n0.851826 0.199133 0.196196 Cl\n0.002937 0.655629 0.803804 Cl\n0.655629 0.851826 0.652693 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"N",
"Cl"
],
"chemical_system": "Cl-N-W",
"density": 4.186573259571394,
"density_atomic": 0.044536707253317036,
"volume": 134.72033228395276,
"volume_molar": 13.521746737465596,
"formula_full": "W1 N1 Cl4",
"formula_reduced": "WNCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.414273253333333,
"spacegroup": 79
},
{
"id": "jvasp-112013",
"created_at": "2022-09-04T14:38:41.016630Z",
"updated_at": "2022-09-04T14:38:41.016653Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n4.431990 -0.361678 1.841441\n2.182701 4.167497 -0.057615\n0.177126 -0.262143 5.810729\nZn H C O\n1 2 3 4\ndirect\n0.178622 0.751172 0.602752 Zn\n0.376347 0.497211 0.019623 H\n0.296552 0.211793 0.197742 H\n0.864378 0.632112 0.303217 C\n0.200039 0.388496 0.099801 C\n0.156777 0.235162 0.891204 C\n0.606046 0.631325 0.290210 O\n0.844412 0.818293 0.478853 O\n0.119495 0.980225 0.916877 O\n0.155468 0.352779 0.698685 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.540868325816888,
"density_atomic": 0.09137681821531964,
"volume": 109.4369468680347,
"volume_molar": 6.5904469838394615,
"formula_full": "Zn1 H2 C3 O4",
"formula_reduced": "ZnH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.656632439999999,
"spacegroup": 1
},
{
"id": "jvasp-114533",
"created_at": "2022-09-04T14:38:41.016957Z",
"updated_at": "2022-09-04T14:38:41.016983Z",
"structure_string": "Ba1 Bi1 F1\n1.0\n3.532466 -0.000000 -0.000000\n-0.000000 3.532466 -0.000000\n-0.000000 -0.000000 8.510194\nBa Bi F\n1 1 1\ndirect\n0.000000 0.000000 0.282683 Ba\n0.000000 0.000000 0.714594 Bi\n0.000000 0.000000 0.010180 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"F"
],
"chemical_system": "Ba-Bi-F",
"density": 5.712289737432782,
"density_atomic": 0.02825047883549059,
"volume": 106.19289030354953,
"volume_molar": 21.31695110397381,
"formula_full": "Ba1 Bi1 F1",
"formula_reduced": "BaBiF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1272133783333333,
"spacegroup": 99
},
{
"id": "jvasp-112471",
"created_at": "2022-09-04T14:38:41.017657Z",
"updated_at": "2022-09-04T14:38:41.017703Z",
"structure_string": "Nd2 In8 Ni2\n1.0\n8.737876 -0.032977 0.000000\n-7.577378 4.351425 0.000000\n-0.000000 -0.000000 7.247489\nNd In Ni\n2 8 2\ndirect\n0.882045 0.117954 0.750000 Nd\n0.117955 0.882046 0.250000 Nd\n0.500000 0.500000 -0.000000 In\n0.500000 0.500000 0.500000 In\n0.073856 0.926145 0.750000 In\n0.926144 0.073855 0.250000 In\n0.687942 0.312058 0.953973 In\n0.312059 0.687942 0.046027 In\n0.687942 0.312058 0.546027 In\n0.312059 0.687942 0.453973 In\n0.225133 0.774868 0.750000 Ni\n0.774868 0.225132 0.250000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"In",
"Ni"
],
"chemical_system": "In-Nd-Ni",
"density": 8.033628587547687,
"density_atomic": 0.0438348851291826,
"volume": 273.75456704484736,
"volume_molar": 13.738237803641066,
"formula_full": "Nd2 In8 Ni2",
"formula_reduced": "NdIn4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0689289633333332,
"spacegroup": 63
},
{
"id": "jvasp-116272",
"created_at": "2022-09-04T14:38:41.019631Z",
"updated_at": "2022-09-04T14:38:41.019667Z",
"structure_string": "Li1 H1\n1.0\n3.025021 0.137575 -0.028234\n-1.395385 -2.679018 -0.207064\n0.044911 -1.533106 -2.611107\nLi H\n1 1\ndirect\n0.127468 0.045786 0.797992 Li\n0.377488 0.545757 0.048077 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.6722787120178721,
"density_atomic": 0.10186407332605918,
"volume": 19.634007699634704,
"volume_molar": 5.911937902506199,
"formula_full": "Li1 H1",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 0.83918,
"spacegroup": 216
},
{
"id": "jvasp-111540",
"created_at": "2022-09-04T14:38:41.026266Z",
"updated_at": "2022-09-04T14:38:41.026299Z",
"structure_string": "Lu8 Mg4 S16\n1.0\n3.760937 0.000000 0.000000\n0.000000 12.385035 0.000000\n0.000000 0.000000 13.005739\nLu Mg S\n8 4 16\ndirect\n0.250000 0.115202 0.076811 Lu\n0.750001 0.884798 0.923189 Lu\n0.750001 0.384798 0.576811 Lu\n0.250000 0.615201 0.423189 Lu\n0.250000 0.141509 0.704587 Lu\n0.750001 0.858491 0.295413 Lu\n0.750001 0.358491 0.204587 Lu\n0.250000 0.641509 0.795413 Lu\n0.750001 0.615883 0.056282 Mg\n0.250000 0.384116 0.943718 Mg\n0.250000 0.884116 0.556282 Mg\n0.750001 0.115884 0.443718 Mg\n0.250000 0.742687 0.983328 S\n0.750001 0.257313 0.016672 S\n0.250000 0.722418 0.247107 S\n0.750001 0.277581 0.752893 S\n0.750001 0.777581 0.747107 S\n0.250000 0.222418 0.252893 S\n0.250000 0.529063 0.617824 S\n0.250000 0.985857 0.383404 S\n0.750001 0.970937 0.117824 S\n0.250000 0.029063 0.882176 S\n0.750001 0.514143 0.883404 S\n0.250000 0.485857 0.116596 S\n0.250000 0.242687 0.516672 S\n0.750001 0.014143 0.616596 S\n0.750001 0.470937 0.382176 S\n0.750001 0.757312 0.483328 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"S"
],
"chemical_system": "Lu-Mg-S",
"density": 5.509547853624187,
"density_atomic": 0.0462199743620639,
"volume": 605.7986917228072,
"volume_molar": 13.029303549209258,
"formula_full": "Lu8 Mg4 S16",
"formula_reduced": "Lu2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.247661507142857,
"spacegroup": 62
},
{
"id": "jvasp-114529",
"created_at": "2022-09-04T14:38:41.026395Z",
"updated_at": "2022-09-04T14:38:41.026425Z",
"structure_string": "Ba1 Bi1 Cl1\n1.0\n5.990129 0.000000 -0.000000\n-2.995064 5.187604 0.000000\n0.000000 -0.000000 3.645267\nBa Bi Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.000000 Bi\n0.666666 0.333333 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Cl"
],
"chemical_system": "Ba-Bi-Cl",
"density": 5.596385708125653,
"density_atomic": 0.026484325634532856,
"volume": 113.27454742092078,
"volume_molar": 22.738508969802663,
"formula_full": "Ba1 Bi1 Cl1",
"formula_reduced": "BaBiCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1778547279166666,
"spacegroup": 187
},
{
"id": "jvasp-112513",
"created_at": "2022-09-04T14:38:41.027524Z",
"updated_at": "2022-09-04T14:38:41.027550Z",
"structure_string": "Li4 Fe2 B2 As2 O14\n1.0\n6.232686 -0.000000 0.000000\n0.000000 5.066615 0.310448\n-0.000000 0.046460 8.624091\nLi Fe B As O\n4 2 2 2 14\ndirect\n0.022282 0.768857 0.804264 Li\n0.477718 0.768857 0.804264 Li\n0.522283 0.231144 0.195736 Li\n0.977718 0.231144 0.195736 Li\n0.250000 0.208039 0.681233 Fe\n0.750000 0.791961 0.318767 Fe\n0.250000 0.270465 0.951366 B\n0.750000 0.729536 0.048634 B\n0.750000 0.282470 0.570783 As\n0.250000 0.717531 0.429217 As\n0.750000 0.531240 0.173659 O\n0.045073 0.819574 0.304810 O\n0.454928 0.819574 0.304810 O\n0.750000 0.141410 0.395267 O\n0.250000 0.379069 0.474474 O\n0.750000 0.620932 0.525526 O\n0.250000 0.026660 0.880687 O\n0.545073 0.180426 0.695190 O\n0.954928 0.180426 0.695190 O\n0.250000 0.468761 0.826341 O\n0.750000 0.973341 0.119313 O\n0.750000 0.693066 0.898807 O\n0.250000 0.858591 0.604733 O\n0.250000 0.306935 0.101194 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Fe",
"B",
"As",
"O"
],
"chemical_system": "As-B-Fe-Li-O",
"density": 3.262626523759246,
"density_atomic": 0.08815524164482418,
"volume": 272.2469991823691,
"volume_molar": 6.831290627349299,
"formula_full": "Li4 Fe2 B2 As2 O14",
"formula_reduced": "Li2FeBAsO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.7470336944444447,
"spacegroup": 11
},
{
"id": "jvasp-114686",
"created_at": "2022-09-04T14:38:41.038246Z",
"updated_at": "2022-09-04T14:38:41.038270Z",
"structure_string": "H1 C1 S1\n1.0\n3.343348 -0.000000 -0.000000\n-1.671674 2.895425 0.000000\n-0.000000 -0.000000 3.211217\nH C S\n1 1 1\ndirect\n0.333333 0.666665 0.000000 H\n0.000000 0.000000 0.000000 C\n0.666667 0.333332 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 2.4082663254062435,
"density_atomic": 0.0965067514790926,
"volume": 31.085908022195994,
"volume_molar": 6.240123792069249,
"formula_full": "H1 C1 S1",
"formula_reduced": "HCS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.74189,
"spacegroup": 187
},
{
"id": "jvasp-116069",
"created_at": "2022-09-04T14:38:41.041701Z",
"updated_at": "2022-09-04T14:38:41.041724Z",
"structure_string": "Y2 O2 F2\n1.0\n3.842181 0.000000 0.000000\n0.000000 3.842181 0.000000\n0.000000 0.000000 5.463909\nY O F\n2 2 2\ndirect\n0.000000 0.500000 0.711462 Y\n0.500000 0.000000 0.288539 Y\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"O",
"F"
],
"chemical_system": "F-O-Y",
"density": 5.101573015060301,
"density_atomic": 0.0743861621782942,
"volume": 80.66016345377196,
"volume_molar": 8.095780967387043,
"formula_full": "Y2 O2 F2",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1472864108333333,
"spacegroup": 129
}
]
}