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=-volume&page=1115",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1113",
"results": [
{
"id": "jvasp-54757",
"created_at": "2022-09-04T14:38:14.565365Z",
"updated_at": "2022-09-04T14:38:14.565386Z",
"structure_string": "Ba2 H8 O12\n1.0\n5.425253 -0.214452 0.121401\n1.922151 5.424891 0.129660\n0.445585 0.679576 7.830157\nBa H O\n2 8 12\ndirect\n0.837667 0.178822 0.228658 Ba\n0.181237 0.799132 0.766286 Ba\n0.362789 0.268102 0.947126 H\n0.221040 0.584997 0.360218 H\n0.742591 0.719793 0.281978 H\n0.805865 0.566153 0.539902 H\n0.868103 0.360541 0.850092 H\n0.579422 0.450189 0.520918 H\n0.252422 0.331073 0.475995 H\n0.617518 0.689102 0.029834 H\n0.482500 0.586823 0.050385 O\n0.278590 0.497736 0.472293 O\n0.058808 0.319247 0.805415 O\n0.618710 -0.040711 0.672549 O\n0.907710 0.667842 0.212150 O\n0.254931 0.046680 0.440787 O\n0.204460 0.196263 0.961114 O\n0.785999 -0.123024 0.544818 O\n0.828098 0.802493 0.040604 O\n0.770807 0.410754 0.526187 O\n0.426881 0.971287 0.308962 O\n0.572378 0.401798 0.922689 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.3823578752911194,
"density_atomic": 0.09439836385276153,
"volume": 233.0548867808201,
"volume_molar": 6.379496968181646,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.6033151790909086,
"spacegroup": 1
},
{
"id": "jvasp-16649",
"created_at": "2022-09-04T14:37:53.182330Z",
"updated_at": "2022-09-04T14:37:53.182345Z",
"structure_string": "Lu6 Sb2 Mo1\n1.0\n3.973235 -6.881844 0.000000\n3.973235 6.881844 -0.000000\n-0.000000 -0.000000 4.261375\nLu Sb Mo\n6 2 1\ndirect\n0.608339 -0.000000 0.500001 Lu\n0.391660 0.391660 0.500001 Lu\n-0.000000 0.608339 0.500001 Lu\n-0.000000 0.238741 0.000000 Lu\n0.761257 0.761257 0.000000 Lu\n0.238741 -0.000000 0.000000 Lu\n0.666666 0.333332 0.000000 Sb\n0.333332 0.666666 0.000000 Sb\n0.000000 0.000000 0.500001 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Sb",
"Mo"
],
"chemical_system": "Lu-Mo-Sb",
"density": 9.899298698534837,
"density_atomic": 0.038620125784493434,
"volume": 233.03911670877147,
"volume_molar": 15.59327070451433,
"formula_full": "Lu6 Sb2 Mo1",
"formula_reduced": "Lu6Sb2Mo",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2059547333333334,
"spacegroup": 189
},
{
"id": "jvasp-10711",
"created_at": "2022-09-04T14:37:17.242874Z",
"updated_at": "2022-09-04T14:37:17.242894Z",
"structure_string": "Ca3 Al7 Cu2\n1.0\n5.331110 0.001986 7.479132\n2.394181 4.763259 7.479132\n0.003220 0.001986 9.184670\nCa Al Cu\n3 7 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.142765 0.142765 0.142765 Ca\n0.857234 0.857237 0.857234 Ca\n0.499999 0.500001 0.499999 Al\n0.579607 0.072321 0.579607 Al\n0.579607 0.579608 0.072320 Al\n0.072320 0.579608 0.579607 Al\n0.927679 0.420393 0.420392 Al\n0.420392 0.927681 0.420392 Al\n0.420392 0.420393 0.927679 Al\n0.335274 0.335275 0.335274 Cu\n0.664725 0.664726 0.664725 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cu"
],
"chemical_system": "Al-Ca-Cu",
"density": 3.1082960414634258,
"density_atomic": 0.05149583189255524,
"volume": 233.02856870120476,
"volume_molar": 11.694423681833213,
"formula_full": "Ca3 Al7 Cu2",
"formula_reduced": "Ca3Al7Cu2",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 0.9506451466666668,
"spacegroup": 166
},
{
"id": "jvasp-29696",
"created_at": "2022-09-04T14:37:51.679003Z",
"updated_at": "2022-09-04T14:37:51.679025Z",
"structure_string": "Cu3 Te2 Br2 O6\n1.0\n5.522255 0.044775 1.377112\n1.890726 5.188687 1.377112\n-0.009539 -0.006735 8.152547\nCu Te Br O\n3 2 2 6\ndirect\n0.089788 0.089789 0.634678 Cu\n0.500001 0.500000 0.500000 Cu\n0.910213 0.910212 0.365322 Cu\n0.333376 0.333376 0.233631 Te\n0.666625 0.666625 0.766369 Te\n0.205520 0.205521 0.866680 Br\n0.794481 0.794480 0.133319 Br\n0.861571 0.861570 0.628894 O\n0.222264 0.611841 0.367706 O\n0.777737 0.388159 0.632293 O\n0.611841 0.222264 0.367706 O\n0.388160 0.777737 0.632293 O\n0.138430 0.138431 0.371106 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cu",
"Te",
"Br",
"O"
],
"chemical_system": "Br-Cu-O-Te",
"density": 5.000275788184294,
"density_atomic": 0.055792058802851055,
"volume": 233.00807102203012,
"volume_molar": 10.793903091621097,
"formula_full": "Cu3 Te2 Br2 O6",
"formula_reduced": "Cu3Te2(BrO3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 1.3430112379487178,
"spacegroup": 12
},
{
"id": "jvasp-102526",
"created_at": "2022-09-04T14:36:47.268425Z",
"updated_at": "2022-09-04T14:36:47.268445Z",
"structure_string": "Li2 Te6\n1.0\n6.427297 0.000000 0.000000\n-3.213648 5.566203 0.000000\n0.000000 0.000000 6.512719\nLi Te\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666666 0.750000 Li\n0.829260 0.170740 0.750000 Te\n0.341482 0.170740 0.750000 Te\n0.829260 0.658518 0.750000 Te\n0.170740 0.829259 0.250000 Te\n0.658518 0.829259 0.250000 Te\n0.170740 0.341482 0.250000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Te"
],
"chemical_system": "Li-Te",
"density": 5.555273409045677,
"density_atomic": 0.03433525181196675,
"volume": 232.99668934455832,
"volume_molar": 17.53923574808653,
"formula_full": "Li2 Te6",
"formula_reduced": "LiTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8269233250000001,
"spacegroup": 194
},
{
"id": "jvasp-56722",
"created_at": "2022-09-04T14:38:31.966202Z",
"updated_at": "2022-09-04T14:38:31.966224Z",
"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n0.000000 5.401818 -0.002844\n5.640827 0.000000 0.000000\n0.000000 -5.366722 -7.643543\nMn Ni Bi O\n2 2 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.260399 0.942068 0.250773 Bi\n0.739601 0.442068 0.249226 Bi\n0.260399 0.557933 0.750773 Bi\n0.739601 0.057933 0.749226 Bi\n0.763201 0.711046 0.458194 O\n0.837863 0.023311 0.252788 O\n0.668292 0.192815 0.459889 O\n0.668292 0.307186 0.959889 O\n0.236799 0.288955 0.541806 O\n0.331708 0.807186 0.540110 O\n0.236799 0.211046 0.041806 O\n0.162137 0.523312 0.247211 O\n0.331708 0.692815 0.040111 O\n0.763201 0.788955 0.958193 O\n0.162137 0.976689 0.747211 O\n0.837863 0.476689 0.752788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-Ni-O",
"density": 8.94573887335241,
"density_atomic": 0.08584046117684171,
"volume": 232.99036055733188,
"volume_molar": 7.015503734997024,
"formula_full": "Mn2 Ni2 Bi4 O12",
"formula_reduced": "MnNi(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.441931924137932,
"spacegroup": 14
},
{
"id": "jvasp-37419",
"created_at": "2022-09-04T14:37:45.998154Z",
"updated_at": "2022-09-04T14:37:45.998173Z",
"structure_string": "Sm6 Cd2\n1.0\n3.498631 -6.059806 -0.000000\n3.498631 6.059806 0.000000\n0.000000 0.000000 5.494690\nSm Cd\n6 2\ndirect\n0.826660 0.653322 0.750000 Sm\n0.826661 0.173339 0.750000 Sm\n0.346678 0.173339 0.750000 Sm\n0.173339 0.346678 0.250000 Sm\n0.173339 0.826661 0.250000 Sm\n0.653322 0.826660 0.250000 Sm\n0.666667 0.333333 0.250000 Cd\n0.333333 0.666667 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Cd"
],
"chemical_system": "Cd-Sm",
"density": 8.03222795568223,
"density_atomic": 0.034336809199963424,
"volume": 232.9861214946123,
"volume_molar": 17.53844023458771,
"formula_full": "Sm6 Cd2",
"formula_reduced": "Sm3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 1.016250916666667,
"spacegroup": 194
},
{
"id": "jvasp-90059",
"created_at": "2022-09-04T14:36:01.252758Z",
"updated_at": "2022-09-04T14:36:01.252776Z",
"structure_string": "Yb3 Cd3 Sn3\n1.0\n0.000000 0.000000 -4.598236\n-3.824439 -6.624122 0.000000\n-3.824589 6.624209 0.000000\nYb Cd Sn\n3 3 3\ndirect\n0.500000 0.576105 0.000000 Yb\n0.500000 0.423875 0.423882 Yb\n0.500000 0.999993 0.576118 Yb\n0.000000 0.254758 0.000000 Cd\n0.000000 0.745218 0.745236 Cd\n0.000000 0.999983 0.254765 Cd\n0.000000 0.333324 0.666666 Sn\n0.000000 0.666659 0.333335 Sn\n0.500000 -0.000014 -0.000000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Sn"
],
"chemical_system": "Cd-Sn-Yb",
"density": 8.641638071783467,
"density_atomic": 0.03862903215543261,
"volume": 232.98538684030376,
"volume_molar": 15.589675495281789,
"formula_full": "Yb3 Cd3 Sn3",
"formula_reduced": "YbCdSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-10740",
"created_at": "2022-09-04T14:38:11.351524Z",
"updated_at": "2022-09-04T14:38:11.351556Z",
"structure_string": "Ti4 S8\n1.0\n6.906545 0.002412 -0.001146\n-0.002157 6.906543 -0.000249\n-3.451527 -3.454449 4.884872\nTi S\n4 8\ndirect\n-0.000000 0.500053 0.499928 Ti\n0.000074 0.499972 0.999901 Ti\n0.000062 0.000115 0.500062 Ti\n0.500163 0.500069 0.000087 Ti\n0.246670 0.748839 0.497783 S\n0.751092 0.253330 0.002288 S\n0.751053 0.748893 0.002243 S\n0.751044 0.748815 0.497690 S\n0.248883 0.251064 0.502233 S\n0.248806 0.251055 -0.002297 S\n0.248816 0.746670 -0.002228 S\n0.753330 0.251115 0.502299 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.193027679668163,
"density_atomic": 0.05150726040210797,
"volume": 232.97686396671355,
"volume_molar": 11.691828905257674,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7878761111111112,
"spacegroup": 227
},
{
"id": "jvasp-58418",
"created_at": "2022-09-04T14:37:14.272432Z",
"updated_at": "2022-09-04T14:37:14.272455Z",
"structure_string": "Ti4 S8\n1.0\n5.981389 -0.000000 3.453357\n1.993796 5.639308 3.453357\n-0.000000 -0.000000 6.906713\nTi S\n4 8\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.748891 0.748890 0.748890 S\n0.251110 0.251110 0.746669 S\n0.251110 0.746670 0.251110 S\n0.746670 0.251110 0.251110 S\n0.251110 0.251110 0.251110 S\n0.748891 0.748890 0.253331 S\n0.253331 0.748890 0.748890 S\n0.748890 0.253331 0.748890 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.193127102439116,
"density_atomic": 0.05150886420735713,
"volume": 232.96960988485574,
"volume_molar": 11.691464862740741,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.787882777777778,
"spacegroup": 227
},
{
"id": "jvasp-116721",
"created_at": "2022-09-04T14:38:45.122659Z",
"updated_at": "2022-09-04T14:38:45.122686Z",
"structure_string": "As4 P1 Rh10\n1.0\n3.995881 -0.008022 16.167215\n1.961549 3.481301 16.167215\n-0.013759 -0.008022 16.653700\nAs P Rh\n4 1 10\ndirect\n0.601308 0.601309 0.601309 As\n0.200483 0.200484 0.200484 As\n0.799516 0.799517 0.799517 As\n0.398691 0.398692 0.398692 As\n0.000000 0.000000 0.000000 P\n0.047524 0.047524 0.047524 Rh\n0.850134 0.850135 0.850134 Rh\n0.449182 0.449182 0.449182 Rh\n0.651635 0.651636 0.651635 Rh\n0.251277 0.251278 0.251278 Rh\n0.348365 0.348365 0.348365 Rh\n0.149866 0.149866 0.149866 Rh\n0.748722 0.748723 0.748723 Rh\n0.952476 0.952477 0.952476 Rh\n0.550818 0.550819 0.550818 Rh\n",
"nsites": 15,
"nelements": 3,
"elements": [
"As",
"P",
"Rh"
],
"chemical_system": "As-P-Rh",
"density": 9.691658021306576,
"density_atomic": 0.06438612709489758,
"volume": 232.9694404183026,
"volume_molar": 9.353165086516345,
"formula_full": "As4 P1 Rh10",
"formula_reduced": "As4PRh10",
"formula_anonymous": "AB4C10",
"energy_above_hull": 3.382210166666667,
"spacegroup": 166
},
{
"id": "jvasp-89988",
"created_at": "2022-09-04T14:35:51.435359Z",
"updated_at": "2022-09-04T14:35:51.435382Z",
"structure_string": "Te1 N2 Cl6\n1.0\n-4.883691 -4.883691 0.000000\n-4.883691 0.000000 -4.883691\n-0.000000 -4.883691 -4.883691\nTe N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.755605 0.244395 0.244395 Cl\n0.755605 0.244395 0.755605 Cl\n0.755605 0.755605 0.244395 Cl\n0.244395 0.755605 0.755605 Cl\n0.244395 0.755605 0.244395 Cl\n0.244395 0.244395 0.755605 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"N",
"Cl"
],
"chemical_system": "Cl-N-Te",
"density": 2.6255078004041694,
"density_atomic": 0.03863384927643504,
"volume": 232.95633669849218,
"volume_molar": 15.587731672580817,
"formula_full": "Te1 N2 Cl6",
"formula_reduced": "Te(NCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.652827630185185,
"spacegroup": 225
}
]
}