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=946",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=944",
"results": [
{
"id": "jvasp-112491",
"created_at": "2022-09-04T14:38:41.240659Z",
"updated_at": "2022-09-04T14:38:41.240680Z",
"structure_string": "Zr6 Fe4 Si6\n1.0\n5.387142 0.000123 0.000000\n-4.010856 3.596433 0.000000\n-0.000000 -0.000000 12.991735\nZr Fe Si\n6 4 6\ndirect\n0.922027 0.077971 0.385552 Zr\n0.077970 0.922027 0.614448 Zr\n0.922027 0.077971 0.114448 Zr\n0.077970 0.922027 0.885552 Zr\n0.634890 0.365107 0.250000 Zr\n0.365107 0.634891 0.750000 Zr\n0.778605 0.221393 0.918922 Fe\n0.221393 0.778605 0.081078 Fe\n0.778605 0.221393 0.581077 Fe\n0.221393 0.778605 0.418922 Fe\n0.613334 0.386664 0.457443 Si\n0.386664 0.613334 0.542556 Si\n0.613334 0.386664 0.042556 Si\n0.386664 0.613334 0.957443 Si\n0.332060 0.667938 0.250000 Si\n0.667938 0.332060 0.750000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Zr",
"density": 6.196060948225175,
"density_atomic": 0.06356402262797711,
"volume": 251.71471751628488,
"volume_molar": 9.474134126541907,
"formula_full": "Zr6 Fe4 Si6",
"formula_reduced": "Zr3Fe2Si3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 4.1554012875,
"spacegroup": 63
},
{
"id": "jvasp-114481",
"created_at": "2022-09-04T14:38:41.246917Z",
"updated_at": "2022-09-04T14:38:41.246943Z",
"structure_string": "B2 C1 Cl2\n1.0\n2.842872 0.000000 0.000000\n-1.421436 2.461999 -0.000000\n0.000000 0.000000 8.049579\nB C Cl\n2 1 2\ndirect\n0.666665 0.333333 0.394906 B\n0.333332 0.666667 0.605093 B\n0.000000 0.000000 0.500000 C\n0.666665 0.333333 0.796272 Cl\n0.333332 0.666667 0.203728 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"C",
"Cl"
],
"chemical_system": "B-C-Cl",
"density": 3.0811145673362548,
"density_atomic": 0.08874658680755358,
"volume": 56.3401949287635,
"volume_molar": 6.785771686137039,
"formula_full": "B2 C1 Cl2",
"formula_reduced": "B2CCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3891446603333337,
"spacegroup": 164
},
{
"id": "jvasp-111885",
"created_at": "2022-09-04T14:38:41.247792Z",
"updated_at": "2022-09-04T14:38:41.247818Z",
"structure_string": "Co4 O2 F6\n1.0\n4.617451 -0.008068 -0.007452\n-0.250874 4.610606 -0.007585\n0.009612 0.010291 6.028222\nCo O F\n4 2 6\ndirect\n0.961287 0.961287 -0.000008 Co\n0.038713 0.038713 0.500009 Co\n0.500000 0.500000 0.250000 Co\n0.500000 0.500000 0.750000 Co\n0.326556 0.326554 0.500007 O\n0.673444 0.673445 -0.000006 O\n0.278350 0.278356 0.000014 F\n0.721650 0.721644 0.499986 F\n0.203568 0.796432 0.250000 F\n0.203578 0.796425 0.750001 F\n0.796434 0.203570 0.250001 F\n0.796421 0.203575 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.9395300341652355,
"density_atomic": 0.09351269843481556,
"volume": 128.32481792154442,
"volume_molar": 6.439917637707593,
"formula_full": "Co4 O2 F6",
"formula_reduced": "Co2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.30807269125,
"spacegroup": 63
},
{
"id": "jvasp-114415",
"created_at": "2022-09-04T14:38:41.258028Z",
"updated_at": "2022-09-04T14:38:41.258053Z",
"structure_string": "Zn1 P1 S4\n1.0\n-2.969832 2.446439 4.605314\n2.969832 -2.446439 4.605314\n2.969832 2.446439 -4.605314\nZn P S\n1 1 4\ndirect\n-0.000000 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 P\n0.636389 0.661726 0.548703 S\n0.363610 0.912312 0.025336 S\n0.886976 0.338273 -0.025337 S\n0.113024 0.087685 0.451296 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"P",
"S"
],
"chemical_system": "P-S-Zn",
"density": 2.787122233215116,
"density_atomic": 0.0448296902872321,
"volume": 133.83987178044043,
"volume_molar": 13.433375786036068,
"formula_full": "Zn1 P1 S4",
"formula_reduced": "ZnPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6187326500000003,
"spacegroup": 23
},
{
"id": "jvasp-114487",
"created_at": "2022-09-04T14:38:41.265082Z",
"updated_at": "2022-09-04T14:38:41.265110Z",
"structure_string": "B1 C1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nB C F\n1 1 1\ndirect\n-0.055540 -0.074695 0.000000 B\n0.233697 -0.009088 0.000000 C\n0.030528 0.243671 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"C",
"F"
],
"chemical_system": "B-C-F",
"density": 0.3615977535953852,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "B1 C1 F1",
"formula_reduced": "BCF",
"formula_anonymous": "ABC",
"energy_above_hull": 3.931114288611111,
"spacegroup": 6
},
{
"id": "jvasp-116124",
"created_at": "2022-09-04T14:38:41.277081Z",
"updated_at": "2022-09-04T14:38:41.277106Z",
"structure_string": "Li2 H2 O2\n1.0\n3.059743 0.000000 -0.070609\n0.000000 2.978644 0.000000\n-1.392709 0.000000 4.977269\nLi H O\n2 2 2\ndirect\n0.827786 0.160046 0.657678 Li\n0.172212 0.660045 0.342322 Li\n0.555983 0.075692 0.108042 H\n0.444014 0.575691 0.891958 H\n0.636693 0.264300 0.269402 O\n0.363305 0.764299 0.730598 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.764709669385737,
"density_atomic": 0.1331281838312787,
"volume": 45.06934465209981,
"volume_molar": 4.523565624264971,
"formula_full": "Li2 H2 O2",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1398645,
"spacegroup": 36
},
{
"id": "jvasp-116130",
"created_at": "2022-09-04T14:38:41.280401Z",
"updated_at": "2022-09-04T14:38:41.280439Z",
"structure_string": "Li1 P1 H1\n1.0\n2.611913 -0.000000 0.000000\n0.000000 2.611913 0.000000\n0.000000 0.000000 6.141686\nLi P H\n1 1 1\ndirect\n0.000000 -0.000000 0.614230 Li\n0.000000 -0.000000 0.037707 P\n0.000000 -0.000000 0.281264 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"P",
"H"
],
"chemical_system": "H-Li-P",
"density": 1.5425777250486303,
"density_atomic": 0.07160052914641221,
"volume": 41.89913169308365,
"volume_molar": 8.410748959250897,
"formula_full": "Li1 P1 H1",
"formula_reduced": "LiPH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9102451666666669,
"spacegroup": 99
},
{
"id": "jvasp-114788",
"created_at": "2022-09-04T14:38:41.283002Z",
"updated_at": "2022-09-04T14:38:41.283020Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n5.545583 -0.204058 1.140110\n0.021878 5.550615 1.130186\n1.410654 1.374051 5.355463\nNa Sn Cl\n1 1 3\ndirect\n0.965807 0.977953 0.567292 Na\n0.440323 0.451872 0.677117 Sn\n0.461705 -0.039785 0.556134 Cl\n-0.051757 0.473677 0.556818 Cl\n0.623919 0.636281 0.132637 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Cl"
],
"chemical_system": "Cl-Na-Sn",
"density": 2.801307582818297,
"density_atomic": 0.0340037738447676,
"volume": 147.04250248298206,
"volume_molar": 17.710212953103348,
"formula_full": "Na1 Sn1 Cl3",
"formula_reduced": "NaSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0104739999999999,
"spacegroup": 8
},
{
"id": "jvasp-114486",
"created_at": "2022-09-04T14:38:41.293246Z",
"updated_at": "2022-09-04T14:38:41.293275Z",
"structure_string": "B1 C1 F2\n1.0\n3.189268 0.000000 0.000000\n0.000000 3.189268 -0.000000\n0.000000 -0.000000 4.198843\nB C F\n1 1 2\ndirect\n0.500000 0.500000 0.350417 B\n0.000000 0.000000 0.340534 C\n0.000000 0.000000 0.657998 F\n0.500000 0.500000 0.661050 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"F"
],
"chemical_system": "B-C-F",
"density": 2.3646843714925945,
"density_atomic": 0.09365874294487268,
"volume": 42.70823923351598,
"volume_molar": 6.429875706899694,
"formula_full": "B1 C1 F2",
"formula_reduced": "BCF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5665332870833337,
"spacegroup": 99
},
{
"id": "jvasp-116341",
"created_at": "2022-09-04T14:38:41.294673Z",
"updated_at": "2022-09-04T14:38:41.294703Z",
"structure_string": "Rb1 Al1 Sb1\n1.0\n3.286502 0.000000 0.000000\n0.000000 3.286502 -0.000000\n0.000000 0.000000 9.549313\nRb Al Sb\n1 1 1\ndirect\n0.000000 0.000000 0.633878 Rb\n0.000000 0.000000 0.279710 Al\n0.000000 0.000000 -0.004633 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Al",
"Sb"
],
"chemical_system": "Al-Rb-Sb",
"density": 3.7706252787047703,
"density_atomic": 0.02908582081972733,
"volume": 103.14304067930114,
"volume_molar": 20.704730312838585,
"formula_full": "Rb1 Al1 Sb1",
"formula_reduced": "RbAlSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8086129666666668,
"spacegroup": 99
},
{
"id": "jvasp-106352",
"created_at": "2022-09-04T14:38:41.299192Z",
"updated_at": "2022-09-04T14:38:41.299228Z",
"structure_string": "Mg1 Cd1 Au2\n1.0\n3.333941 0.000000 0.000000\n0.000000 3.333941 0.000000\n-0.000000 0.000000 6.688734\nMg Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.730030 Au\n0.000000 0.000000 0.269969 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Mg",
"density": 11.852141165903264,
"density_atomic": 0.05380222623342939,
"volume": 74.34636594116706,
"volume_molar": 11.193107017304449,
"formula_full": "Mg1 Cd1 Au2",
"formula_reduced": "MgCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-116131",
"created_at": "2022-09-04T14:38:41.302563Z",
"updated_at": "2022-09-04T14:38:41.302578Z",
"structure_string": "Li2 P1 H1\n1.0\n2.121185 1.224667 3.562253\n-2.121185 1.224667 3.562253\n-0.000000 -2.449334 3.562253\nLi P H\n2 1 1\ndirect\n0.278886 0.278886 0.278885 Li\n0.722096 0.722096 0.722093 Li\n0.979523 0.979523 0.979519 P\n0.112492 0.112492 0.112491 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"P",
"H"
],
"chemical_system": "H-Li-P",
"density": 1.3716573353059534,
"density_atomic": 0.07204227474313832,
"volume": 55.5229552962024,
"volume_molar": 8.359176305122958,
"formula_full": "Li2 P1 H1",
"formula_reduced": "Li2PH",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.617848875,
"spacegroup": 160
}
]
}