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=504",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=502",
"results": [
{
"id": "jvasp-28717",
"created_at": "2022-09-04T14:37:07.906000Z",
"updated_at": "2022-09-04T14:37:07.906019Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.350703 -0.000000 0.000000\n-1.675351 2.901744 0.000333\n0.000000 0.003931 34.839234\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333166 0.666332 0.719660 Te\n0.333397 0.666794 0.610075 Te\n0.333437 0.666873 0.095266 Mo\n0.333236 0.666473 0.465324 Mo\n0.666719 0.333439 0.277447 Mo\n0.666616 0.333233 0.664929 W\n0.333333 0.666666 0.325229 Se\n0.666622 0.333247 0.417501 Se\n0.666541 0.333083 0.513126 Se\n0.333423 0.666846 0.229626 Se\n0.666841 0.333683 0.051731 S\n0.666659 0.333318 0.138834 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.425832688390809,
"density_atomic": 0.03542563342264721,
"volume": 338.73776812494583,
"volume_molar": 16.999387669805543,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.725594725000001,
"spacegroup": 156
},
{
"id": "jvasp-119031",
"created_at": "2022-09-04T14:38:32.957610Z",
"updated_at": "2022-09-04T14:38:32.957645Z",
"structure_string": "Zn2 Si2 Ag4 S8\n1.0\n6.589301 0.000000 0.000000\n-0.000000 5.050998 4.052081\n-0.000000 0.032740 10.203405\nZn Si Ag S\n2 2 4 8\ndirect\n0.686190 0.598741 0.679744 Zn\n0.313810 0.598741 0.179744 Zn\n0.816372 0.355685 0.425846 Si\n0.183627 0.355685 0.925846 Si\n0.679102 0.087708 0.174371 Ag\n0.320898 0.087708 0.674371 Ag\n0.848634 0.859051 0.919004 Ag\n0.151366 0.859051 0.419004 Ag\n0.872855 0.469327 0.915862 S\n0.127145 0.469327 0.415862 S\n0.682519 0.265631 0.648498 S\n0.317481 0.265631 0.148498 S\n0.800610 0.011480 0.438535 S\n0.199390 0.011480 0.938535 S\n0.660907 0.675720 0.200092 S\n0.339093 0.675720 0.700092 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ag",
"S"
],
"chemical_system": "Ag-S-Si-Zn",
"density": 4.2894916889572015,
"density_atomic": 0.047236498402462516,
"volume": 338.72112754161924,
"volume_molar": 12.74891442775965,
"formula_full": "Zn2 Si2 Ag4 S8",
"formula_reduced": "ZnSi(AgS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.18281919,
"spacegroup": 7
},
{
"id": "jvasp-102423",
"created_at": "2022-09-04T14:36:43.507126Z",
"updated_at": "2022-09-04T14:36:43.507143Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"K",
"Rb",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tb",
"density": 2.8516205807616446,
"density_atomic": 0.02952300530473582,
"volume": 338.71890401333525,
"volume_molar": 20.398129180412337,
"formula_full": "K1 Rb2 Tb1 Cl6",
"formula_reduced": "KRb2TbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-24945",
"created_at": "2022-09-04T14:38:16.654037Z",
"updated_at": "2022-09-04T14:38:16.654067Z",
"structure_string": "Na4 Li8 P4 O16\n1.0\n4.920396 0.000000 0.000000\n-0.000000 6.893028 0.000000\n0.000000 0.000000 9.985299\nNa Li P O\n4 8 4 16\ndirect\n0.239070 0.750000 0.112639 Na\n0.260930 0.750000 0.612639 Na\n0.760931 0.250000 0.887362 Na\n0.739071 0.250000 0.387361 Na\n0.790936 0.500357 0.655955 Li\n0.290936 0.000357 0.844045 Li\n0.709065 0.999643 0.155955 Li\n0.209065 0.499643 0.344045 Li\n0.709065 0.500357 0.155955 Li\n0.209065 0.000357 0.344045 Li\n0.790936 0.999643 0.655955 Li\n0.290936 0.499643 0.844045 Li\n0.702640 0.750000 0.402633 P\n0.797361 0.750000 0.902633 P\n0.297361 0.250000 0.597367 P\n0.202640 0.250000 0.097367 P\n0.242378 0.250000 0.443357 O\n0.257622 0.250000 0.943357 O\n0.111697 0.750000 0.880386 O\n0.888303 0.250000 0.119614 O\n0.674259 0.565388 0.837928 O\n0.825742 0.565388 0.337928 O\n0.174259 0.434612 0.662072 O\n0.742379 0.750000 0.056643 O\n0.611698 0.250000 0.619614 O\n0.325742 0.065388 0.162072 O\n0.674259 0.934613 0.837928 O\n0.325742 0.434612 0.162072 O\n0.757622 0.750000 0.556643 O\n0.174259 0.065388 0.662072 O\n0.388303 0.750000 0.380386 O\n0.825742 0.934613 0.337928 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Li",
"P",
"O"
],
"chemical_system": "Li-Na-O-P",
"density": 2.5858029373183062,
"density_atomic": 0.09448846744067514,
"volume": 338.66566859168597,
"volume_molar": 6.373413521370762,
"formula_full": "Na4 Li8 P4 O16",
"formula_reduced": "NaLi2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6242360625,
"spacegroup": 62
},
{
"id": "jvasp-111737",
"created_at": "2022-09-04T14:38:54.032005Z",
"updated_at": "2022-09-04T14:38:54.032032Z",
"structure_string": "Na3 Eu2 Ge2 Se6\n1.0\n7.254895 0.039341 1.153411\n-3.854690 6.146254 1.153411\n0.090785 0.165155 7.630795\nNa Eu Ge Se\n3 2 2 6\ndirect\n0.666072 0.333928 -0.000000 Na\n0.333928 0.666071 -0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.833382 0.166618 0.500000 Eu\n0.166618 0.833382 0.500000 Eu\n0.559140 0.559139 0.320729 Ge\n0.440860 0.440861 0.679271 Ge\n0.219144 0.219144 0.253420 Se\n0.780856 0.780856 0.746580 Se\n0.582653 0.940722 0.261584 Se\n0.417347 0.059278 0.738416 Se\n0.059277 0.417347 0.738416 Se\n0.940723 0.582653 0.261584 Se\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Eu",
"Ge",
"Se"
],
"chemical_system": "Eu-Ge-Na-Se",
"density": 4.863703011169314,
"density_atomic": 0.03838637291362678,
"volume": 338.661848287967,
"volume_molar": 15.688225541783869,
"formula_full": "Na3 Eu2 Ge2 Se6",
"formula_reduced": "Na3Eu2(GeSe3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 0.9361160846153844,
"spacegroup": 12
},
{
"id": "jvasp-117093",
"created_at": "2022-09-04T14:38:46.578596Z",
"updated_at": "2022-09-04T14:38:46.578623Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.277124 0.000000 0.000000\n-0.000000 7.809347 2.140980\n-0.000000 0.124328 8.251017\nLi Co Si O\n4 4 4 16\ndirect\n0.841030 0.030438 0.076978 Li\n0.332485 0.496263 0.282960 Li\n0.158969 0.030439 0.576978 Li\n0.667514 0.496263 0.782960 Li\n0.332578 0.134137 0.200962 Co\n0.832795 0.626081 0.393292 Co\n0.667421 0.134137 0.700962 Co\n0.167204 0.626081 0.893292 Co\n0.169495 0.261870 0.821969 Si\n0.337138 0.752028 0.513965 Si\n0.830504 0.261870 0.321969 Si\n0.662862 0.752028 0.013964 Si\n0.312736 0.434249 0.843595 O\n0.214447 0.786372 0.685332 O\n0.871385 0.302028 0.764041 O\n0.320802 0.188331 0.681783 O\n0.624968 0.673394 0.556323 O\n0.316363 0.947419 0.387521 O\n0.177204 0.614814 0.438443 O\n0.375031 0.673394 0.056323 O\n0.687264 0.434249 0.343594 O\n0.785552 0.786372 0.185332 O\n0.128614 0.302028 0.264041 O\n0.679197 0.188331 0.181782 O\n0.822795 0.614814 0.938443 O\n0.175263 0.113783 0.006637 O\n0.824736 0.113783 0.506637 O\n0.683637 0.947419 0.887521 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.0983257651370284,
"density_atomic": 0.0826868282285191,
"volume": 338.6270897054757,
"volume_molar": 7.283071426269721,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4395762142857143,
"spacegroup": 7
},
{
"id": "jvasp-11394",
"created_at": "2022-09-04T14:38:32.874500Z",
"updated_at": "2022-09-04T14:38:32.874515Z",
"structure_string": "Tl6 As2 O8\n1.0\n4.287193 -7.425637 0.000000\n4.287194 7.425637 0.000000\n0.000000 0.000000 5.318077\nTl As O\n6 2 8\ndirect\n0.646423 0.734629 0.005507 Tl\n0.265370 0.911793 0.005507 Tl\n0.911793 0.646423 0.505508 Tl\n0.353577 0.265370 0.505508 Tl\n0.734629 0.088206 0.505508 Tl\n0.088206 0.353577 0.005507 Tl\n0.666667 0.333333 0.983624 As\n0.333333 0.666667 0.483623 As\n0.490533 0.610322 0.581262 O\n0.880210 0.490533 0.081261 O\n0.610322 0.119789 0.081261 O\n0.389677 0.880210 0.581262 O\n0.666667 0.333333 0.654172 O\n0.509466 0.389677 0.081261 O\n0.333333 0.666667 0.154171 O\n0.119789 0.509466 0.581262 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"As",
"O"
],
"chemical_system": "As-O-Tl",
"density": 7.376416336684468,
"density_atomic": 0.04725291066922297,
"volume": 338.60348015389474,
"volume_molar": 12.744486370703878,
"formula_full": "Tl6 As2 O8",
"formula_reduced": "Tl3AsO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.31900419375,
"spacegroup": 173
},
{
"id": "jvasp-91434",
"created_at": "2022-09-04T14:36:22.162473Z",
"updated_at": "2022-09-04T14:36:22.162492Z",
"structure_string": "Hf4 P4 O18\n1.0\n6.065312 0.000000 2.667525\n2.967049 6.821058 1.482935\n0.017374 0.013544 8.189790\nHf P O\n4 4 18\ndirect\n0.683662 0.268014 0.364660 Hf\n0.316337 0.731985 0.635340 Hf\n0.942641 0.212346 0.902371 Hf\n0.057358 0.787653 0.097629 Hf\n0.591214 0.656572 0.161000 P\n0.170551 0.205490 0.453407 P\n0.408785 0.343428 0.839000 P\n0.829448 0.794510 0.546594 P\n0.995033 0.275333 0.353344 O\n0.756778 0.764047 0.101531 O\n0.967826 0.705782 0.358566 O\n0.622355 0.235953 0.898469 O\n0.266574 0.558772 0.908079 O\n0.484892 0.396321 0.633894 O\n0.032173 0.294218 0.641434 O\n0.376289 0.275333 0.353344 O\n0.623710 0.724666 0.646656 O\n0.377644 0.764047 0.101531 O\n0.243221 0.235953 0.898470 O\n0.885050 0.072295 0.157603 O\n0.725722 0.021306 0.527249 O\n0.733426 0.441228 0.091922 O\n0.274277 0.978694 0.472751 O\n0.515108 0.603679 0.366106 O\n0.114949 0.927705 0.842397 O\n0.004966 0.724666 0.646657 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Hf",
"P",
"O"
],
"chemical_system": "Hf-O-P",
"density": 5.522985542845787,
"density_atomic": 0.07681036760200824,
"volume": 338.4959714646675,
"volume_molar": 7.840270718666042,
"formula_full": "Hf4 P4 O18",
"formula_reduced": "Hf2P2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.414513730769231,
"spacegroup": 12
},
{
"id": "jvasp-29148",
"created_at": "2022-09-04T14:37:37.221364Z",
"updated_at": "2022-09-04T14:37:37.221386Z",
"structure_string": "Mo1 W3 Se8\n1.0\n3.327566 -0.000000 0.000000\n-1.663783 2.881764 -0.000021\n0.000000 -0.000255 35.283883\nMo W Se\n1 3 8\ndirect\n0.333314 0.666626 0.094858 Mo\n0.333322 0.666642 0.469357 W\n0.666672 0.333342 0.281942 W\n0.666693 0.333384 0.656758 W\n0.333340 0.666679 0.329625 Se\n0.333371 0.666740 0.704388 Se\n0.666642 0.333282 0.047484 Se\n0.666659 0.333314 0.421676 Se\n0.666654 0.333304 0.142291 Se\n0.666653 0.333302 0.517038 Se\n0.333337 0.666673 0.234258 Se\n0.333348 0.666695 0.609071 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-W",
"density": 6.277774538576692,
"density_atomic": 0.03546661845669845,
"volume": 338.3463245770363,
"volume_molar": 16.979743268596334,
"formula_full": "Mo1 W3 Se8",
"formula_reduced": "MoW3Se8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 4.111827736111112,
"spacegroup": 156
},
{
"id": "jvasp-34656",
"created_at": "2022-09-04T14:37:08.148846Z",
"updated_at": "2022-09-04T14:37:08.148872Z",
"structure_string": "Si8 O16\n1.0\n6.853485 0.000000 0.000000\n0.000000 7.026603 0.000000\n0.000000 0.000000 7.025656\nSi O\n8 16\ndirect\n0.000064 0.060058 -0.000114 Si\n0.750097 0.749982 0.189922 Si\n0.249904 0.249982 0.310079 Si\n0.500064 0.439942 0.000114 Si\n-0.000064 0.560058 0.500114 Si\n0.749904 0.250018 0.689922 Si\n0.499937 0.939942 0.499886 Si\n0.250097 0.750018 0.810079 Si\n0.938152 0.194025 0.820553 O\n0.438205 0.805829 0.679175 O\n0.188019 0.429174 0.444227 O\n0.438151 0.305975 0.179447 O\n0.811677 0.429400 0.555965 O\n0.311981 0.570826 0.944227 O\n0.061796 0.194171 0.179175 O\n0.061849 0.694025 0.679448 O\n0.561849 0.805975 0.320553 O\n0.688324 0.570599 0.055965 O\n0.938205 0.694171 0.320826 O\n0.188324 0.929400 0.944036 O\n0.811982 0.929174 0.055773 O\n0.688019 0.070826 0.555773 O\n0.561796 0.305829 0.820826 O\n0.311677 0.070599 0.444036 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.359154184667038,
"density_atomic": 0.0709361276382564,
"volume": 338.33253659390084,
"volume_molar": 8.489525662734675,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3903052000000002,
"spacegroup": 92
},
{
"id": "jvasp-103850",
"created_at": "2022-09-04T14:37:00.321586Z",
"updated_at": "2022-09-04T14:37:00.321617Z",
"structure_string": "H10 C16 S2 N2 O2\n1.0\n3.731971 -0.083535 0.482342\n0.988187 8.655428 2.651449\n0.057139 -0.157274 10.409020\nH C S N O\n10 16 2 2 2\ndirect\n0.103126 0.356060 0.152757 H\n0.537952 0.995534 0.828921 H\n0.142489 0.227123 0.374841 H\n0.642489 0.727122 0.874841 H\n0.046928 0.372849 0.548880 H\n0.037951 0.495534 0.328921 H\n0.864648 0.825274 0.472913 H\n0.364649 0.325274 0.972913 H\n0.603126 0.856060 0.652757 H\n0.546928 0.872849 0.048880 H\n0.799257 0.191524 0.702752 C\n0.671671 0.045034 0.729769 C\n0.171671 0.545033 0.229769 C\n0.704578 0.968558 0.631754 C\n0.204578 0.468558 0.131754 C\n0.206882 0.920055 0.316105 C\n0.706882 0.420054 0.816105 C\n0.299256 0.691524 0.202752 C\n0.945883 0.260627 0.570768 C\n0.387770 0.531211 0.004285 C\n0.445884 0.760627 0.070767 C\n0.999433 0.179732 0.472708 C\n0.499434 0.679732 0.972708 C\n0.305391 0.751592 0.317960 C\n0.805393 0.251591 0.817960 C\n0.887771 0.031211 0.504285 C\n0.925231 0.137559 0.962632 S\n0.425230 0.637559 0.462633 S\n0.458006 0.429241 0.924176 N\n0.958006 0.929240 0.424176 N\n0.848922 0.528120 0.734566 O\n0.348920 0.028119 0.234567 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6020005915794957,
"density_atomic": 0.09458515568656127,
"volume": 338.3194727303978,
"volume_molar": 6.366898395723242,
"formula_full": "H10 C16 S2 N2 O2",
"formula_reduced": "H5C8SNO",
"formula_anonymous": "ABCD5E8",
"energy_above_hull": 5.503247296874999,
"spacegroup": 1
},
{
"id": "jvasp-28825",
"created_at": "2022-09-04T14:38:08.114855Z",
"updated_at": "2022-09-04T14:38:08.114876Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n3.256834 0.000000 0.000000\n-1.628417 2.820469 0.000002\n0.000000 0.000032 36.829264\nMo W Se S\n1 3 4 4\ndirect\n0.333301 0.666606 0.469667 Mo\n0.333308 0.666618 0.093908 W\n0.666697 0.333396 0.281792 W\n0.666700 0.333401 0.657583 W\n0.333348 0.666699 0.328158 Se\n0.333350 0.666705 0.703841 Se\n0.333348 0.666699 0.235407 Se\n0.333351 0.666706 0.611200 Se\n0.666648 0.333296 0.051841 S\n0.666644 0.333291 0.427747 S\n0.666647 0.333295 0.136021 S\n0.666643 0.333289 0.511582 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.3578026930076765,
"density_atomic": 0.035470821934936655,
"volume": 338.3062287649081,
"volume_molar": 16.977731080058646,
"formula_full": "Mo1 W3 Se4 S4",
"formula_reduced": "MoW3(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 4.3049649472222224,
"spacegroup": 156
}
]
}