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=1169",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1167",
"results": [
{
"id": "jvasp-86615",
"created_at": "2022-09-04T14:35:59.489797Z",
"updated_at": "2022-09-04T14:35:59.489824Z",
"structure_string": "Li2 U1 Mo2 O10\n1.0\n5.244092 0.016621 -1.003638\n-1.759396 5.225858 -1.829741\n-0.034152 -0.011714 8.277587\nLi U Mo O\n2 1 2 10\ndirect\n0.480447 0.215818 0.423911 Li\n0.519552 0.784183 0.576090 Li\n0.000000 0.000000 0.000000 U\n0.913728 0.656554 0.303604 Mo\n0.086271 0.343447 0.696396 Mo\n0.783452 0.125756 0.540145 O\n0.784547 0.794066 0.150606 O\n0.683187 0.948370 0.836778 O\n0.981517 0.376237 0.177658 O\n0.314840 0.432029 0.583545 O\n0.018483 0.623764 0.822342 O\n0.215453 0.205935 0.849394 O\n0.685159 0.567972 0.416455 O\n0.216547 0.874245 0.459855 O\n0.316813 0.051631 0.163222 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"U",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-U",
"density": 4.4211170917964875,
"density_atomic": 0.06614422374130179,
"volume": 226.77717193668866,
"volume_molar": 9.10456033704974,
"formula_full": "Li2 U1 Mo2 O10",
"formula_reduced": "Li2U(MoO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.429262853333334,
"spacegroup": 2
},
{
"id": "jvasp-8675",
"created_at": "2022-09-04T14:37:07.080330Z",
"updated_at": "2022-09-04T14:37:07.080357Z",
"structure_string": "Pt1 S2 Cl6\n1.0\n4.897811 -0.271387 -0.050607\n-0.781546 6.010423 -0.023445\n-0.994963 -1.774351 7.779418\nPt S Cl\n1 2 6\ndirect\n0.500000 0.500000 0.500000 Pt\n0.207954 0.218718 0.286405 S\n0.792046 0.781281 0.713596 S\n0.560684 0.034942 0.738501 Cl\n0.174544 0.392823 0.672439 Cl\n0.825455 0.607177 0.327561 Cl\n0.218556 0.308321 0.054769 Cl\n0.781443 0.691678 0.945231 Cl\n0.439317 -0.034942 0.261499 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pt",
"S",
"Cl"
],
"chemical_system": "Cl-Pt-S",
"density": 3.4556491776804417,
"density_atomic": 0.03968657602181109,
"volume": 226.77693321423718,
"volume_molar": 15.174251254858396,
"formula_full": "Pt1 S2 Cl6",
"formula_reduced": "Pt(SCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.890059533888889,
"spacegroup": 2
},
{
"id": "jvasp-66032",
"created_at": "2022-09-04T14:35:44.721950Z",
"updated_at": "2022-09-04T14:35:44.721978Z",
"structure_string": "Ba4 Ni1 Ge1\n1.0\n0.000000 4.839934 4.839934\n4.839934 0.000000 4.839934\n4.839934 4.839934 0.000000\nBa Ni Ge\n4 1 1\ndirect\n0.125773 0.624742 0.624742 Ba\n0.624742 0.624742 0.624742 Ba\n0.624742 0.125773 0.624742 Ba\n0.624742 0.624742 0.125773 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Ge"
],
"chemical_system": "Ba-Ge-Ni",
"density": 4.984471820751649,
"density_atomic": 0.026460797943698298,
"volume": 226.7505315888977,
"volume_molar": 22.75872697721947,
"formula_full": "Ba4 Ni1 Ge1",
"formula_reduced": "Ba4NiGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2726970383333332,
"spacegroup": 216
},
{
"id": "jvasp-52957",
"created_at": "2022-09-04T14:37:05.313097Z",
"updated_at": "2022-09-04T14:37:05.313115Z",
"structure_string": "As2 H12 N2 O8\n1.0\n-3.823232 3.823232 3.877755\n3.823232 -3.823232 3.877755\n3.823232 3.823232 -3.877755\nAs H N O\n2 12 2 8\ndirect\n0.749999 0.250000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.874999 0.966420 0.591420 H\n0.375000 0.283579 0.408579 H\n0.716420 0.125000 0.091420 H\n0.594384 0.686567 0.130075 H\n0.193506 0.563432 0.407816 H\n0.033580 0.625000 0.908579 H\n0.155615 0.785689 0.592183 H\n0.535689 0.405615 0.092184 H\n0.436568 0.844384 0.630075 H\n0.313432 0.443506 0.907816 H\n0.214310 0.806494 0.369925 H\n0.556494 0.464310 0.869925 H\n0.250000 0.749999 0.500000 N\n0.499999 0.499999 0.000000 N\n0.717328 0.962904 0.428148 O\n0.710818 0.282671 0.245577 O\n0.712905 0.967328 0.928147 O\n0.037095 0.465241 0.754422 O\n0.039181 0.784758 0.071852 O\n0.534758 0.289181 0.571852 O\n0.032671 0.960818 0.745577 O\n0.215241 0.287094 0.254422 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"As",
"H",
"N",
"O"
],
"chemical_system": "As-H-N-O",
"density": 2.328639582665734,
"density_atomic": 0.10585456184192836,
"volume": 226.72617582451457,
"volume_molar": 5.6890706032989,
"formula_full": "As2 H12 N2 O8",
"formula_reduced": "AsH6NO4",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 3.236884916666667,
"spacegroup": 122
},
{
"id": "jvasp-28462",
"created_at": "2022-09-04T14:36:41.242456Z",
"updated_at": "2022-09-04T14:36:41.242483Z",
"structure_string": "Te4 Mo1 W2 Se2\n1.0\n3.488119 0.000000 0.000000\n-1.744060 3.020694 0.000000\n0.000000 -0.000000 21.517993\nTe Mo W Se\n4 1 2 2\ndirect\n0.667176 0.334350 -0.055725 Te\n0.667124 0.334245 0.577693 Te\n0.667124 0.334245 0.116272 Te\n0.667176 0.334350 0.749688 Te\n0.665682 0.331364 0.346982 Mo\n0.333812 0.667624 0.030258 W\n0.333812 0.667624 0.663706 W\n0.332348 0.664695 0.422380 Se\n0.332348 0.664695 0.271585 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 8.29034715627949,
"density_atomic": 0.03969563208957245,
"volume": 226.72519686024066,
"volume_molar": 15.170789437011994,
"formula_full": "Te4 Mo1 W2 Se2",
"formula_reduced": "Te4Mo(WSe)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.696402633333333,
"spacegroup": 187
},
{
"id": "jvasp-50870",
"created_at": "2022-09-04T14:35:54.805844Z",
"updated_at": "2022-09-04T14:35:54.805863Z",
"structure_string": "Cd1 Cu1 H8 Cl4 O4\n1.0\n3.997310 0.003544 -0.055713\n1.892523 6.717739 -0.186450\n1.076549 -0.101462 8.432669\nCd Cu H Cl O\n1 1 8 4 4\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 -0.000000 0.000000 Cu\n0.883128 0.659603 0.879922 H\n0.663954 0.639357 0.047912 H\n0.580989 0.407162 0.207733 H\n0.722551 0.559983 0.305317 H\n0.336045 0.360642 0.952089 H\n0.277448 0.440017 0.694684 H\n0.116871 0.340397 0.120078 H\n0.419011 0.592838 0.792268 H\n0.075204 0.934200 0.189231 Cl\n0.369982 0.262324 0.475272 Cl\n0.630017 0.737676 0.524729 Cl\n0.924795 0.065799 0.810770 Cl\n0.743371 0.491649 0.200363 O\n0.350136 0.285080 0.053674 O\n0.256628 0.508351 0.799638 O\n0.649863 0.714920 0.946327 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Cd",
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cd-Cl-Cu-H-O",
"density": 2.855159732829075,
"density_atomic": 0.079392307748772,
"volume": 226.72221667820727,
"volume_molar": 7.58529501252991,
"formula_full": "Cd1 Cu1 H8 Cl4 O4",
"formula_reduced": "CdCuH8(ClO)4",
"formula_anonymous": "ABC4D4E8",
"energy_above_hull": 1.9234566927777776,
"spacegroup": 2
},
{
"id": "jvasp-66133",
"created_at": "2022-09-04T14:35:46.381963Z",
"updated_at": "2022-09-04T14:35:46.381998Z",
"structure_string": "Ba4 Si1 W1\n1.0\n-0.000000 4.839586 4.839586\n4.839586 0.000000 4.839586\n4.839586 4.839586 0.000000\nBa Si W\n4 1 1\ndirect\n0.126182 0.624606 0.624606 Ba\n0.624606 0.624606 0.624606 Ba\n0.624606 0.126182 0.624606 Ba\n0.624606 0.624606 0.126182 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"W"
],
"chemical_system": "Ba-Si-W",
"density": 5.575866394073285,
"density_atomic": 0.02646650650214449,
"volume": 226.70162378679788,
"volume_molar": 22.75381814941102,
"formula_full": "Ba4 Si1 W1",
"formula_reduced": "Ba4SiW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.07676208,
"spacegroup": 216
},
{
"id": "jvasp-63242",
"created_at": "2022-09-04T14:35:50.492227Z",
"updated_at": "2022-09-04T14:35:50.492253Z",
"structure_string": "B8 Mo8 Os4\n1.0\n3.085899 0.000000 0.000000\n0.000000 7.614464 0.000000\n0.000000 0.000000 9.647090\nB Mo Os\n8 8 4\ndirect\n0.000000 0.388133 0.040414 B\n0.000000 0.611867 0.959586 B\n0.500000 0.888132 0.459586 B\n0.500000 0.111867 0.540414 B\n0.000000 0.378841 0.231676 B\n0.000000 0.621159 0.768324 B\n0.500000 0.878840 0.268324 B\n0.500000 0.121159 0.731676 B\n0.500000 0.578311 0.139276 Mo\n0.500000 0.421688 0.860724 Mo\n0.000000 0.078311 0.360724 Mo\n0.000000 0.921688 0.639276 Mo\n0.000000 0.305775 0.629972 Mo\n0.500000 0.194225 0.129972 Mo\n0.000000 0.694225 0.370028 Mo\n0.500000 0.805774 0.870028 Mo\n0.500000 0.383164 0.392486 Os\n0.000000 0.883164 0.107514 Os\n0.000000 0.116836 0.892486 Os\n0.500000 0.616836 0.607514 Os\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Mo",
"Os"
],
"chemical_system": "B-Mo-Os",
"density": 11.830003860085275,
"density_atomic": 0.08822925661255063,
"volume": 226.68217740774887,
"volume_molar": 6.825559900663778,
"formula_full": "B8 Mo8 Os4",
"formula_reduced": "B2Mo2Os",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.665516393333334,
"spacegroup": 58
},
{
"id": "jvasp-66319",
"created_at": "2022-09-04T14:36:17.868363Z",
"updated_at": "2022-09-04T14:36:17.868390Z",
"structure_string": "Ba4 Sb1 P1\n1.0\n-0.000000 4.839436 4.839436\n4.839436 -0.000000 4.839436\n4.839436 4.839436 -0.000000\nBa Sb P\n4 1 1\ndirect\n0.125570 0.624810 0.624810 Ba\n0.624810 0.624810 0.624810 Ba\n0.624810 0.125570 0.624810 Ba\n0.624810 0.624810 0.125570 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"P"
],
"chemical_system": "Ba-P-Sb",
"density": 5.1427782307078465,
"density_atomic": 0.026468967594115145,
"volume": 226.68054500674904,
"volume_molar": 22.7517024930693,
"formula_full": "Ba4 Sb1 P1",
"formula_reduced": "Ba4SbP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.67999758,
"spacegroup": 216
},
{
"id": "jvasp-119585",
"created_at": "2022-09-04T14:38:54.036403Z",
"updated_at": "2022-09-04T14:38:54.036429Z",
"structure_string": "Li8 Co6 O14\n1.0\n2.819513 0.035678 -0.283572\n-0.130765 5.658055 -0.603534\n0.002670 0.018948 14.202582\nLi Co O\n8 6 14\ndirect\n0.934824 0.209278 0.869550 Li\n0.499999 0.500001 0.000000 Li\n0.065173 0.790723 0.130450 Li\n0.358404 0.933119 0.716741 Li\n0.786308 0.644593 0.572536 Li\n0.213689 0.355409 0.427464 Li\n0.641593 0.066883 0.283260 Li\n0.499999 0.000000 0.000000 Li\n0.785697 0.144200 0.571386 Co\n0.214300 0.855802 0.428614 Co\n0.357277 0.430847 0.714558 Co\n0.069699 0.278373 0.139344 Co\n0.930298 0.721629 0.860656 Co\n0.642720 0.569154 0.285442 Co\n0.288262 0.374769 0.576674 O\n0.859829 0.659721 0.719856 O\n0.575171 0.514131 0.150492 O\n0.005477 0.255333 0.010962 O\n0.427577 0.941619 0.855370 O\n0.140169 0.340281 0.280145 O\n0.711735 0.625233 0.423326 O\n0.853777 0.201452 0.707382 O\n0.572420 0.058383 0.144631 O\n0.994520 0.744668 0.989038 O\n0.424826 0.485870 0.849508 O\n0.716948 0.086439 0.434087 O\n0.283050 0.913563 0.565913 O\n0.146220 0.798549 0.292618 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.637965347393112,
"density_atomic": 0.12352397083510291,
"volume": 226.67665078042478,
"volume_molar": 4.875281064303863,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.4819698,
"spacegroup": 12
},
{
"id": "jvasp-21236",
"created_at": "2022-09-04T14:36:55.344069Z",
"updated_at": "2022-09-04T14:36:55.344095Z",
"structure_string": "Ca4 C4 O12\n1.0\n4.995220 -0.000000 0.000000\n0.000000 5.699303 0.000000\n0.000000 0.000000 7.961601\nCa C O\n4 4 12\ndirect\n0.250000 0.760851 0.085218 Ca\n0.750000 0.239149 0.914782 Ca\n0.250000 0.260851 0.414782 Ca\n0.750000 0.739148 0.585218 Ca\n0.250000 0.913374 0.736431 C\n0.750000 0.086625 0.263569 C\n0.250000 0.413375 0.763569 C\n0.750000 0.586625 0.236431 C\n0.025809 0.411711 0.681065 O\n0.525809 0.588289 0.318935 O\n0.250000 0.902028 0.574798 O\n0.750000 0.097971 0.425201 O\n0.250000 0.402029 0.925201 O\n0.974192 0.588289 0.318935 O\n0.525809 0.088289 0.181065 O\n0.025809 0.911710 0.818935 O\n0.974192 0.088289 0.181065 O\n0.474192 0.411711 0.681065 O\n0.750000 0.597971 0.074799 O\n0.474192 0.911710 0.818935 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O",
"density": 2.9329830361537144,
"density_atomic": 0.08823750509064492,
"volume": 226.66098706501657,
"volume_molar": 6.824921844530346,
"formula_full": "Ca4 C4 O12",
"formula_reduced": "CaCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.250982184,
"spacegroup": 62
},
{
"id": "jvasp-21297",
"created_at": "2022-09-04T14:37:07.151659Z",
"updated_at": "2022-09-04T14:37:07.151670Z",
"structure_string": "Ca2 Cu2 Si4 O12\n1.0\n5.136523 0.029170 1.090276\n1.278639 6.573335 0.604477\n0.017132 -0.006285 6.723743\nCa Cu Si O\n2 2 4 12\ndirect\n0.749999 0.297345 0.702655 Ca\n0.250001 0.702655 0.297346 Ca\n0.249999 0.096376 0.903624 Cu\n0.749998 0.903626 0.096377 Cu\n0.280768 0.192310 0.378382 Si\n0.219230 0.621618 0.807689 Si\n0.780768 0.378382 0.192311 Si\n0.719231 0.807690 0.621619 Si\n0.631858 0.976308 0.795557 O\n0.868141 0.204443 0.023693 O\n0.677358 0.606191 0.108792 O\n0.822640 0.891210 0.393810 O\n0.322640 0.393808 0.891209 O\n0.981833 0.628535 0.672883 O\n0.018165 0.371465 0.327118 O\n0.481835 0.672882 0.628536 O\n0.368140 0.023692 0.204444 O\n0.518165 0.327119 0.371464 O\n0.177359 0.108790 0.606190 O\n0.131859 0.795557 0.976308 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Si",
"O"
],
"chemical_system": "Ca-Cu-O-Si",
"density": 3.7479428510220867,
"density_atomic": 0.0882384607812876,
"volume": 226.65853215156406,
"volume_molar": 6.824847925358522,
"formula_full": "Ca2 Cu2 Si4 O12",
"formula_reduced": "CaCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.123439907,
"spacegroup": 15
}
]
}