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=-energy_above_hull&page=572",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=570",
"results": [
{
"id": "jvasp-31779",
"created_at": "2022-09-04T14:38:39.452377Z",
"updated_at": "2022-09-04T14:38:39.452403Z",
"structure_string": "Nb4 W2 Se12\n1.0\n0.347384 5.943357 0.004129\n-4.973390 3.272450 0.000733\n-1.538139 3.081729 13.012388\nNb W Se\n4 2 12\ndirect\n0.250127 0.916963 0.250009 Nb\n0.416540 0.749705 0.749991 Nb\n0.916744 0.583669 0.249992 Nb\n0.749922 0.083000 0.750009 Nb\n0.083238 0.416454 0.750000 W\n0.583429 0.250213 0.250000 W\n0.213816 0.533567 0.379006 Se\n0.039756 0.699712 0.879085 Se\n0.126710 0.785475 0.620912 Se\n0.626912 0.966954 0.120914 Se\n0.539957 0.881192 0.379088 Se\n0.365934 0.047333 0.879079 Se\n0.800529 0.459265 0.620924 Se\n0.953050 0.293111 0.120998 Se\n0.866139 0.207403 0.379077 Se\n0.713617 0.373558 0.879003 Se\n0.300731 0.619336 0.120922 Se\n0.452850 0.133102 0.620994 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 7.01363081250999,
"density_atomic": 0.045070891274616366,
"volume": 399.37084648107424,
"volume_molar": 13.361485849718775,
"formula_full": "Nb4 W2 Se12",
"formula_reduced": "Nb2WSe6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.503062111111111,
"spacegroup": 15
},
{
"id": "jvasp-104764",
"created_at": "2022-09-04T14:36:58.992738Z",
"updated_at": "2022-09-04T14:36:58.992758Z",
"structure_string": "Al3 Ga1 N4\n1.0\n3.142457 -0.000000 0.000000\n0.000000 5.076982 0.003533\n-0.000000 0.000569 5.441084\nAl Ga N\n3 1 4\ndirect\n0.500000 0.499894 0.832617 Al\n0.500000 0.000500 0.164917 Al\n-0.000000 0.000793 0.668581 Al\n-0.000000 0.499163 0.333865 Ga\n-0.000000 0.109690 0.333747 N\n0.500000 0.123138 0.832829 N\n0.500000 0.626359 0.158220 N\n-0.000000 0.624064 0.675219 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Ga",
"N"
],
"chemical_system": "Al-Ga-N",
"density": 3.9538252870872337,
"density_atomic": 0.09215727414931013,
"volume": 86.80812311178678,
"volume_molar": 6.534634206132366,
"formula_full": "Al3 Ga1 N4",
"formula_reduced": "Al3GaN4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.502492965625,
"spacegroup": 6
},
{
"id": "jvasp-108144",
"created_at": "2022-09-04T14:36:04.731498Z",
"updated_at": "2022-09-04T14:36:04.731519Z",
"structure_string": "Cr2 Co2 Si4\n1.0\n4.455273 0.000000 0.000000\n0.000000 4.577916 0.009693\n0.000000 0.002180 4.566004\nCr Co Si\n2 2 4\ndirect\n0.636847 0.876688 0.100718 Cr\n0.136847 0.123313 0.899281 Cr\n0.363355 0.636931 0.609627 Co\n0.863354 0.363070 0.390371 Co\n0.657213 0.359903 0.909021 Si\n0.157213 0.640098 0.090978 Si\n0.342585 0.161318 0.416310 Si\n0.842585 0.838683 0.583688 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Si"
],
"chemical_system": "Co-Cr-Si",
"density": 5.9590677177846105,
"density_atomic": 0.08590372532202277,
"volume": 93.1275095464233,
"volume_molar": 7.010337138960061,
"formula_full": "Cr2 Co2 Si4",
"formula_reduced": "CrCoSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5019188750000003,
"spacegroup": 4
},
{
"id": "jvasp-44414",
"created_at": "2022-09-04T14:37:07.817613Z",
"updated_at": "2022-09-04T14:37:07.817639Z",
"structure_string": "Li4 Mn6 W2 O16\n1.0\n5.818817 -0.025088 0.090496\n-2.931135 5.076875 -0.180993\n0.150630 -0.260898 9.672049\nLi Mn W O\n4 6 2 16\ndirect\n0.342088 0.656089 0.907028 Li\n0.019168 0.015594 0.989711 Li\n-0.019168 -0.003573 0.489711 Li\n0.657912 0.314001 0.407028 Li\n0.837036 0.659869 0.715508 Mn\n0.336648 0.166436 0.711015 Mn\n0.828063 0.169598 0.714806 Mn\n0.171937 0.341535 0.214806 Mn\n0.162964 0.822833 0.215508 Mn\n0.663352 0.829790 0.211015 Mn\n0.322442 0.646498 0.485337 W\n0.677558 0.324057 0.985337 W\n0.363542 0.211364 0.091838 O\n0.848958 0.683795 0.085418 O\n0.663701 0.325383 0.612193 O\n0.532523 0.025545 0.852382 O\n0.528331 0.477566 0.843910 O\n0.636458 0.847823 0.591839 O\n0.467477 0.493022 0.352382 O\n0.022541 0.500402 0.347526 O\n0.140782 0.346847 0.593882 O\n-0.001130 0.007508 0.803369 O\n0.001130 0.008638 0.303369 O\n0.336299 0.661683 0.112193 O\n0.977459 0.477860 0.847526 O\n0.151042 0.834837 0.585418 O\n0.471669 0.949236 0.343910 O\n0.859218 0.206066 0.093882 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"W",
"O"
],
"chemical_system": "Li-Mn-O-W",
"density": 5.721322812516068,
"density_atomic": 0.09833511624938021,
"volume": 284.7405999804925,
"volume_molar": 6.1240999041763535,
"formula_full": "Li4 Mn6 W2 O16",
"formula_reduced": "Li2Mn3WO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.5017356945812814,
"spacegroup": 9
},
{
"id": "jvasp-36197",
"created_at": "2022-09-04T14:37:28.119881Z",
"updated_at": "2022-09-04T14:37:28.119901Z",
"structure_string": "B2 As1 P1\n1.0\n3.310029 0.000000 0.000000\n0.000000 3.310029 0.000000\n-0.000000 -0.000000 4.688940\nB As P\n2 1 1\ndirect\n0.500000 0.000000 0.763424 B\n0.000000 0.500000 0.236576 B\n0.000000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"As",
"P"
],
"chemical_system": "As-B-P",
"density": 4.121735740853173,
"density_atomic": 0.07786131214200785,
"volume": 51.3733957206446,
"volume_molar": 7.734445508722586,
"formula_full": "B2 As1 P1",
"formula_reduced": "B2AsP",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.501730604166667,
"spacegroup": 115
},
{
"id": "jvasp-56189",
"created_at": "2022-09-04T14:37:20.008334Z",
"updated_at": "2022-09-04T14:37:20.008373Z",
"structure_string": "Zr1 Co2 Si2\n1.0\n3.537655 0.000000 -1.276592\n-0.460669 3.507532 -1.276592\n-0.008081 -0.009212 5.517621\nZr Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.377532 0.377533 0.755065 Si\n0.622467 0.622467 0.244935 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Si"
],
"chemical_system": "Co-Si-Zr",
"density": 6.441429599706364,
"density_atomic": 0.07311881265205539,
"volume": 68.38185439078583,
"volume_molar": 8.236103051422727,
"formula_full": "Zr1 Co2 Si2",
"formula_reduced": "Zr(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5013687,
"spacegroup": 139
},
{
"id": "jvasp-15410",
"created_at": "2022-09-04T14:36:45.309630Z",
"updated_at": "2022-09-04T14:36:45.309647Z",
"structure_string": "Ti3 Tl1 C1\n1.0\n4.252903 0.000000 -0.000000\n-0.000000 4.252903 0.000000\n0.000000 0.000000 4.252903\nTi Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"C"
],
"chemical_system": "C-Ti-Tl",
"density": 7.771218749435651,
"density_atomic": 0.06500003222548303,
"volume": 76.92303878642952,
"volume_molar": 9.264827345176363,
"formula_full": "Ti3 Tl1 C1",
"formula_reduced": "Ti3TlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.5010835200000003,
"spacegroup": 221
},
{
"id": "jvasp-115282",
"created_at": "2022-09-04T14:38:44.038398Z",
"updated_at": "2022-09-04T14:38:44.038424Z",
"structure_string": "B2 As1 P1\n1.0\n3.311929 0.000000 0.000000\n0.000000 3.311929 -0.000000\n0.000000 0.000000 4.692861\nB As P\n2 1 1\ndirect\n0.500000 0.000000 0.763861 B\n0.000000 0.500000 0.236138 B\n0.000000 0.000000 0.499999 As\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"As",
"P"
],
"chemical_system": "As-B-P",
"density": 4.113568090649288,
"density_atomic": 0.07770702181337563,
"volume": 51.47539960554097,
"volume_molar": 7.749802552545406,
"formula_full": "B2 As1 P1",
"formula_reduced": "B2AsP",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.500773104166667,
"spacegroup": 115
},
{
"id": "jvasp-15304",
"created_at": "2022-09-04T14:36:11.795225Z",
"updated_at": "2022-09-04T14:36:11.795244Z",
"structure_string": "Tm1 Ni1 C2\n1.0\n3.487927 0.000000 0.000000\n0.000000 3.595174 -1.055258\n0.000000 0.006407 3.746839\nTm Ni C\n1 1 2\ndirect\n0.000000 0.001941 0.998061 Tm\n0.500000 0.614332 0.385668 Ni\n0.500000 0.454865 0.849137 C\n0.500000 0.150863 0.545136 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"C"
],
"chemical_system": "C-Ni-Tm",
"density": 8.88943312487066,
"density_atomic": 0.0850921965845648,
"volume": 47.00783574231501,
"volume_molar": 7.077195091579503,
"formula_full": "Tm1 Ni1 C2",
"formula_reduced": "TmNiC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5002891625,
"spacegroup": 38
},
{
"id": "jvasp-46804",
"created_at": "2022-09-04T14:38:04.254365Z",
"updated_at": "2022-09-04T14:38:04.254392Z",
"structure_string": "Mn5 O5 F1\n1.0\n3.455630 0.001406 -0.000225\n1.727107 2.993068 -0.000226\n0.000122 0.000065 14.292350\nMn O F\n5 5 1\ndirect\n0.333321 0.333430 0.136920 Mn\n0.333370 0.333471 0.495879 Mn\n0.666638 0.666741 0.310025 Mn\n0.666626 0.666727 0.962199 Mn\n0.666761 0.666863 0.682504 Mn\n0.333335 0.333436 0.275251 O\n0.333415 0.333517 0.640701 O\n0.333307 0.333404 0.000401 O\n0.666580 0.666680 0.138287 O\n0.666662 0.666763 0.456152 O\n0.666076 0.666183 0.822482 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.198653213617625,
"density_atomic": 0.0744298593015212,
"volume": 147.7901490507746,
"volume_molar": 8.091028004774046,
"formula_full": "Mn5 O5 F1",
"formula_reduced": "Mn5O5F",
"formula_anonymous": "AB5C5",
"energy_above_hull": 3.5000494535815045,
"spacegroup": 156
},
{
"id": "jvasp-31654",
"created_at": "2022-09-04T14:37:08.017911Z",
"updated_at": "2022-09-04T14:37:08.017935Z",
"structure_string": "Li16 Ta4 N12\n1.0\n4.699694 -0.000000 1.345393\n1.504069 7.996149 3.627148\n-0.007761 0.011190 8.908235\nLi Ta N\n16 4 12\ndirect\n0.840530 0.250000 0.250000 Li\n0.159469 0.750000 0.750000 Li\n0.340530 0.250000 0.250000 Li\n0.225566 0.524434 0.024434 Li\n0.274434 0.975566 0.475566 Li\n0.774433 0.475566 0.975566 Li\n0.725565 0.024434 0.524434 Li\n0.560843 0.949769 0.879572 Li\n0.890183 0.550231 0.620429 Li\n0.939156 0.120429 0.050231 Li\n0.609816 0.379572 0.449769 Li\n0.439157 0.050231 0.120429 Li\n0.109817 0.449769 0.379572 Li\n0.060843 0.879572 0.949770 Li\n0.390183 0.620429 0.550231 Li\n0.659469 0.750000 0.750000 Li\n0.919105 0.830894 0.330894 Ta\n0.419106 0.330894 0.830894 Ta\n0.080894 0.169106 0.669106 Ta\n0.580894 0.669106 0.169106 Ta\n0.520256 0.539737 0.788674 N\n0.348667 0.960264 0.711327 N\n0.020257 0.788674 0.539737 N\n0.848666 0.711327 0.960264 N\n0.479743 0.460263 0.211327 N\n0.651333 0.039737 0.288674 N\n0.749999 0.131791 0.868209 N\n0.250000 0.368209 0.631792 N\n0.250000 0.868209 0.131791 N\n0.749999 0.631791 0.368209 N\n0.151333 0.288674 0.039737 N\n0.979742 0.211327 0.460263 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Ta",
"N"
],
"chemical_system": "Li-N-Ta",
"density": 4.976069964366725,
"density_atomic": 0.09561315239445854,
"volume": 334.6819888123951,
"volume_molar": 6.298443895203089,
"formula_full": "Li16 Ta4 N12",
"formula_reduced": "Li4TaN3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.49978111875,
"spacegroup": 73
},
{
"id": "jvasp-20102",
"created_at": "2022-09-04T14:36:45.499317Z",
"updated_at": "2022-09-04T14:36:45.499326Z",
"structure_string": "Zr4 Fe2\n1.0\n5.044435 0.145100 -1.488091\n-2.786033 4.207778 -1.488091\n-0.075282 -0.145100 5.258809\nZr Fe\n4 2\ndirect\n0.679132 0.179131 0.858262 Zr\n0.179132 0.320869 0.500000 Zr\n0.820871 0.679131 0.500001 Zr\n0.320870 0.820869 0.141740 Zr\n0.250000 0.250000 0.000000 Fe\n0.750001 0.750000 0.000001 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Fe"
],
"chemical_system": "Fe-Zr",
"density": 7.091130506799358,
"density_atomic": 0.05376211564028324,
"volume": 111.602750906333,
"volume_molar": 11.201457919352583,
"formula_full": "Zr4 Fe2",
"formula_reduced": "Zr2Fe",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4996981666666667,
"spacegroup": 140
}
]
}