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=spacegroup&page=388",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=386",
"results": [
{
"id": "jvasp-110937",
"created_at": "2022-09-04T14:38:37.314631Z",
"updated_at": "2022-09-04T14:38:37.314656Z",
"structure_string": "Tb2 Fe2 Si4\n1.0\n3.979487 0.000000 0.000000\n-0.000000 4.154103 0.988754\n0.000000 0.030700 7.967167\nTb Fe Si\n2 2 4\ndirect\n0.250000 0.605317 0.793839 Tb\n0.750001 0.394683 0.206161 Tb\n0.250000 0.884454 0.389707 Fe\n0.750001 0.115545 0.610293 Fe\n0.250000 0.953465 0.098076 Si\n0.750001 0.046535 0.901924 Si\n0.250000 0.325738 0.495411 Si\n0.750001 0.674261 0.504589 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Tb",
"density": 6.838244309627016,
"density_atomic": 0.06079672932621638,
"volume": 131.58602590403314,
"volume_molar": 9.905369625538672,
"formula_full": "Tb2 Fe2 Si4",
"formula_reduced": "TbFeSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.602415275,
"spacegroup": 11
},
{
"id": "jvasp-31775",
"created_at": "2022-09-04T14:38:39.424994Z",
"updated_at": "2022-09-04T14:38:39.425005Z",
"structure_string": "Nb2 W12 Se28\n1.0\n0.338816 5.802961 0.000000\n0.000000 0.000000 13.085958\n11.559562 -3.586111 0.000000\nNb W Se\n2 12 28\ndirect\n0.335550 0.250000 0.999893 Nb\n0.093019 0.750000 0.857250 Nb\n0.045795 0.250000 0.428181 W\n0.810968 0.750000 0.285334 W\n0.908408 0.250000 0.144572 W\n0.664756 0.750000 0.001778 W\n0.763815 0.250000 0.855365 W\n0.520164 0.750000 0.712572 W\n0.617603 0.250000 0.571809 W\n0.382778 0.750000 0.428961 W\n0.475358 0.250000 0.287988 W\n0.241133 0.750000 0.145122 W\n0.953215 0.750000 0.569156 W\n0.187440 0.250000 0.712021 W\n0.752277 0.621697 0.857181 Se\n0.336019 0.621066 0.003690 Se\n0.239204 0.121192 0.146447 Se\n0.239204 0.378808 0.146447 Se\n0.336019 0.878934 0.003690 Se\n0.478809 0.622156 0.286992 Se\n0.379576 0.122151 0.429892 Se\n0.379576 0.377849 0.429892 Se\n0.478809 0.877844 0.286992 Se\n0.620841 0.622553 0.571190 Se\n0.521728 0.122520 0.713994 Se\n0.189369 0.878809 0.710697 Se\n0.092550 0.378934 0.853452 Se\n0.092550 0.121066 0.853452 Se\n0.189369 0.621192 0.710697 Se\n0.048996 0.877848 0.427251 Se\n0.949764 0.377844 0.570151 Se\n0.949764 0.122156 0.570151 Se\n0.048996 0.622152 0.427251 Se\n0.906844 0.877480 0.143148 Se\n0.521728 0.377480 0.713994 Se\n0.807731 0.122553 0.285954 Se\n0.906844 0.622520 0.143148 Se\n0.752277 0.878303 0.857181 Se\n0.676293 0.378303 0.999962 Se\n0.676293 0.121697 0.999962 Se\n0.620841 0.877447 0.571190 Se\n0.807731 0.377447 0.285954 Se\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 8.55216331196388,
"density_atomic": 0.04699554000940947,
"volume": 893.701827696644,
"volume_molar": 12.814281437758233,
"formula_full": "Nb2 W12 Se28",
"formula_reduced": "Nb(W3Se7)2",
"formula_anonymous": "AB6C14",
"energy_above_hull": 4.34390173968254,
"spacegroup": 11
},
{
"id": "jvasp-112413",
"created_at": "2022-09-04T14:38:40.058557Z",
"updated_at": "2022-09-04T14:38:40.058575Z",
"structure_string": "Na6 Fe2 P2 C2 O14\n1.0\n6.571960 -0.000000 0.000000\n0.000000 5.134813 0.050044\n-0.000000 -0.009149 9.008351\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.499873 0.248403 0.262696 Na\n-0.000127 0.751596 0.737304 Na\n0.500127 0.751596 0.737304 Na\n0.000127 0.248403 0.262696 Na\n0.750000 0.234228 0.917761 Na\n0.250000 0.765771 0.082238 Na\n0.250000 0.221353 0.645180 Fe\n0.750000 0.778646 0.354820 Fe\n0.250000 0.701141 0.412867 P\n0.750000 0.298858 0.587132 P\n0.250000 0.272226 0.941203 C\n0.750000 0.727773 0.058797 C\n0.250000 0.837408 0.564621 O\n0.750000 0.162591 0.435379 O\n0.561387 0.222201 0.683239 O\n0.061387 0.777799 0.316760 O\n0.438613 0.777799 0.316760 O\n0.938613 0.222201 0.683239 O\n0.250000 0.047127 0.875297 O\n0.250000 0.283938 0.084829 O\n0.750000 0.516301 0.139293 O\n0.250000 0.483698 0.860707 O\n0.750000 0.952872 0.124703 O\n0.250000 0.399646 0.437217 O\n0.750000 0.716061 0.915170 O\n0.750000 0.600353 0.562782 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 3.0566747742998666,
"density_atomic": 0.08552719051996469,
"volume": 303.99689083591255,
"volume_molar": 7.04120025852392,
"formula_full": "Na6 Fe2 P2 C2 O14",
"formula_reduced": "Na3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.41953403846154,
"spacegroup": 11
},
{
"id": "jvasp-112513",
"created_at": "2022-09-04T14:38:41.027524Z",
"updated_at": "2022-09-04T14:38:41.027550Z",
"structure_string": "Li4 Fe2 B2 As2 O14\n1.0\n6.232686 -0.000000 0.000000\n0.000000 5.066615 0.310448\n-0.000000 0.046460 8.624091\nLi Fe B As O\n4 2 2 2 14\ndirect\n0.022282 0.768857 0.804264 Li\n0.477718 0.768857 0.804264 Li\n0.522283 0.231144 0.195736 Li\n0.977718 0.231144 0.195736 Li\n0.250000 0.208039 0.681233 Fe\n0.750000 0.791961 0.318767 Fe\n0.250000 0.270465 0.951366 B\n0.750000 0.729536 0.048634 B\n0.750000 0.282470 0.570783 As\n0.250000 0.717531 0.429217 As\n0.750000 0.531240 0.173659 O\n0.045073 0.819574 0.304810 O\n0.454928 0.819574 0.304810 O\n0.750000 0.141410 0.395267 O\n0.250000 0.379069 0.474474 O\n0.750000 0.620932 0.525526 O\n0.250000 0.026660 0.880687 O\n0.545073 0.180426 0.695190 O\n0.954928 0.180426 0.695190 O\n0.250000 0.468761 0.826341 O\n0.750000 0.973341 0.119313 O\n0.750000 0.693066 0.898807 O\n0.250000 0.858591 0.604733 O\n0.250000 0.306935 0.101194 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Fe",
"B",
"As",
"O"
],
"chemical_system": "As-B-Fe-Li-O",
"density": 3.262626523759246,
"density_atomic": 0.08815524164482418,
"volume": 272.2469991823691,
"volume_molar": 6.831290627349299,
"formula_full": "Li4 Fe2 B2 As2 O14",
"formula_reduced": "Li2FeBAsO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.7470336944444447,
"spacegroup": 11
},
{
"id": "jvasp-115904",
"created_at": "2022-09-04T14:38:40.694762Z",
"updated_at": "2022-09-04T14:38:40.694788Z",
"structure_string": "P2 Cl2\n1.0\n5.134693 0.512104 1.041196\n-1.466403 -7.491347 0.006917\n-1.744000 -1.332978 -2.783842\nP Cl\n2 2\ndirect\n0.038629 0.261203 0.071319 P\n0.651906 0.281103 0.165531 P\n0.089419 0.953521 0.429185 Cl\n0.601123 0.588786 0.807573 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.360324018910397,
"density_atomic": 0.04279661708032506,
"volume": 93.4653314417911,
"volume_molar": 14.07153455306299,
"formula_full": "P2 Cl2",
"formula_reduced": "PCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.8340897837499999,
"spacegroup": 11
},
{
"id": "jvasp-112685",
"created_at": "2022-09-04T14:38:41.751233Z",
"updated_at": "2022-09-04T14:38:41.751250Z",
"structure_string": "Er6 Sc2 S12\n1.0\n3.836842 0.000000 0.000000\n-0.000000 10.240131 3.611867\n-0.000000 0.026027 11.025034\nEr Sc S\n6 2 12\ndirect\n0.250000 0.452106 0.193203 Er\n0.750000 0.547894 0.806797 Er\n0.250000 0.819988 -0.002553 Er\n0.750000 0.180012 0.002553 Er\n0.250000 0.334489 0.584227 Er\n0.750000 0.665511 0.415773 Er\n0.250000 0.064302 0.335358 Sc\n0.750000 0.935698 0.664642 Sc\n0.750000 0.902886 0.438689 S\n0.250000 0.097114 0.561311 S\n0.750000 0.984018 0.875547 S\n0.250000 0.015982 0.124453 S\n0.750000 0.308631 0.751878 S\n0.750000 0.612197 0.034085 S\n0.750000 0.235682 0.233007 S\n0.250000 0.764319 0.766993 S\n0.250000 0.580614 0.600271 S\n0.250000 0.387803 0.965915 S\n0.250000 0.691369 0.248122 S\n0.750000 0.419386 0.399729 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Sc",
"S"
],
"chemical_system": "Er-S-Sc",
"density": 5.671502990013194,
"density_atomic": 0.04620962059747842,
"volume": 432.8103053304741,
"volume_molar": 13.032222905393466,
"formula_full": "Er6 Sc2 S12",
"formula_reduced": "Er3ScS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.944605525,
"spacegroup": 11
},
{
"id": "jvasp-112773",
"created_at": "2022-09-04T14:38:42.305294Z",
"updated_at": "2022-09-04T14:38:42.305316Z",
"structure_string": "Ni4 P6 O20\n1.0\n8.256485 -0.000000 0.000000\n0.000000 4.563891 0.640738\n-0.000000 -0.027120 8.864138\nNi P O\n4 6 20\ndirect\n0.930983 0.042011 0.665208 Ni\n0.569016 0.042011 0.665208 Ni\n0.430983 0.957989 0.334792 Ni\n0.069017 0.957989 0.334792 Ni\n0.250000 0.670821 0.818306 P\n0.250000 0.396205 0.538847 P\n0.750000 0.329179 0.181695 P\n0.750000 0.473093 0.847142 P\n0.750000 0.603795 0.461153 P\n0.250000 0.526907 0.152859 P\n0.093167 0.683564 0.182501 O\n0.593166 0.316436 0.817499 O\n0.906833 0.316436 0.817499 O\n0.250000 0.468138 0.978516 O\n0.250000 0.408095 0.716095 O\n0.750000 0.591905 0.283906 O\n0.093140 0.230362 0.508353 O\n0.406833 0.683564 0.182501 O\n0.250000 0.712221 0.455500 O\n0.094644 0.838571 0.797533 O\n0.593140 0.769638 0.491648 O\n0.750000 0.794343 0.761693 O\n0.405356 0.838571 0.797533 O\n0.750000 0.287778 0.544501 O\n0.250000 0.205656 0.238308 O\n0.594643 0.161429 0.202467 O\n0.905356 0.161429 0.202467 O\n0.750000 0.531862 0.021484 O\n0.906859 0.769638 0.491648 O\n0.406859 0.230362 0.508353 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 3.6802877714490365,
"density_atomic": 0.08977755665937001,
"volume": 334.15923885993755,
"volume_molar": 6.7078465755633525,
"formula_full": "Ni4 P6 O20",
"formula_reduced": "Ni2P3O10",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 2.78998642,
"spacegroup": 11
},
{
"id": "jvasp-112684",
"created_at": "2022-09-04T14:38:42.349062Z",
"updated_at": "2022-09-04T14:38:42.349088Z",
"structure_string": "Dy6 Ni2 Pd4\n1.0\n4.438978 -0.000000 0.000000\n0.000000 5.462452 0.677932\n0.000000 0.016985 10.511723\nDy Ni Pd\n6 2 4\ndirect\n0.250000 0.401205 0.782714 Dy\n0.750000 0.598795 0.217286 Dy\n0.250000 0.114020 0.124589 Dy\n0.750000 0.885981 0.875411 Dy\n0.250000 0.262250 0.457052 Dy\n0.750000 0.737751 0.542948 Dy\n0.250000 0.772480 0.361836 Ni\n0.750000 0.227521 0.638163 Ni\n0.250000 0.649194 0.029715 Pd\n0.750000 0.350807 0.970285 Pd\n0.250000 0.919329 0.691032 Pd\n0.750000 0.080671 0.308968 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Ni",
"Pd"
],
"chemical_system": "Dy-Ni-Pd",
"density": 9.891964415908266,
"density_atomic": 0.047089470997795736,
"volume": 254.8340371154673,
"volume_molar": 12.78872034957007,
"formula_full": "Dy6 Ni2 Pd4",
"formula_reduced": "Dy3NiPd2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4522422166666666,
"spacegroup": 11
},
{
"id": "jvasp-116602",
"created_at": "2022-09-04T14:38:42.519155Z",
"updated_at": "2022-09-04T14:38:42.519188Z",
"structure_string": "Nd2 Tm6 S12\n1.0\n3.936098 0.000000 0.000000\n-0.000000 10.368012 3.560549\n-0.000000 0.005262 11.240725\nNd Tm S\n2 6 12\ndirect\n0.250000 0.950269 0.696062 Nd\n0.750000 0.049731 0.303938 Nd\n0.250000 0.558142 0.833126 Tm\n0.750000 0.441857 0.166874 Tm\n0.250000 0.320178 0.501310 Tm\n0.750000 0.679821 0.498690 Tm\n0.250000 0.838730 0.087071 Tm\n0.750000 0.161269 0.912928 Tm\n0.750000 0.119346 0.535974 S\n0.250000 0.880653 0.464026 S\n0.750000 0.734163 0.728503 S\n0.250000 0.265837 0.271497 S\n0.750000 0.393360 0.942395 S\n0.750000 0.479335 0.387269 S\n0.750000 0.917601 0.906853 S\n0.250000 0.082399 0.093147 S\n0.250000 0.198288 0.750861 S\n0.250000 0.520664 0.612731 S\n0.250000 0.606640 0.057605 S\n0.750000 0.801712 0.249139 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Tm",
"S"
],
"chemical_system": "Nd-S-Tm",
"density": 6.107234939825598,
"density_atomic": 0.043605784214397016,
"volume": 458.65474868347263,
"volume_molar": 13.810417284071484,
"formula_full": "Nd2 Tm6 S12",
"formula_reduced": "Nd(TmS2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.816099425,
"spacegroup": 11
},
{
"id": "jvasp-105319",
"created_at": "2022-09-04T14:38:42.714392Z",
"updated_at": "2022-09-04T14:38:42.714416Z",
"structure_string": "Sm2 Fe2 Si4\n1.0\n4.017427 0.000000 0.000000\n-0.000000 4.192244 1.000520\n0.000000 0.029135 8.051490\nSm Fe Si\n2 2 4\ndirect\n0.250000 0.604781 0.794329 Sm\n0.750000 0.395217 0.205671 Sm\n0.250000 0.882491 0.390567 Fe\n0.750000 0.117507 0.609434 Fe\n0.250000 0.953164 0.098394 Si\n0.750000 0.046834 0.901606 Si\n0.250000 0.323818 0.495977 Si\n0.750000 0.676180 0.504024 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Sm",
"density": 6.431431073809222,
"density_atomic": 0.05904653356724956,
"volume": 135.48636163185773,
"volume_molar": 10.198974260091383,
"formula_full": "Sm2 Fe2 Si4",
"formula_reduced": "SmFeSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.63047789375,
"spacegroup": 11
},
{
"id": "jvasp-111933",
"created_at": "2022-09-04T14:38:42.785130Z",
"updated_at": "2022-09-04T14:38:42.785157Z",
"structure_string": "Mn2 C2 S2 O14\n1.0\n6.139445 0.000000 0.000000\n0.000000 5.012321 0.413574\n0.000000 0.252639 7.829315\nMn C S O\n2 2 2 14\ndirect\n0.250000 0.207394 0.693269 Mn\n0.750001 0.792606 0.306730 Mn\n0.250000 0.287933 0.980672 C\n0.750001 0.712067 0.019327 C\n0.750001 0.261194 0.583166 S\n0.250000 0.738806 0.416833 S\n0.750001 0.529133 0.159990 O\n0.061546 0.809557 0.303410 O\n0.438454 0.809557 0.303410 O\n0.750001 0.113108 0.432575 O\n0.250000 0.448105 0.476592 O\n0.750001 0.551895 0.523407 O\n0.938455 0.190443 0.696588 O\n0.561547 0.190443 0.696588 O\n0.750001 0.952584 0.079859 O\n0.250000 0.470867 0.840009 O\n0.250000 0.047416 0.920140 O\n0.750001 0.666705 0.871173 O\n0.250000 0.886892 0.567424 O\n0.250000 0.333295 0.128825 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Mn-O-S",
"density": 2.9164013652379297,
"density_atomic": 0.08323310464551911,
"volume": 240.28900622147714,
"volume_molar": 7.235271092731256,
"formula_full": "Mn2 C2 S2 O14",
"formula_reduced": "MnCSO7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 3.3464281741379307,
"spacegroup": 11
},
{
"id": "jvasp-112867",
"created_at": "2022-09-04T14:38:42.814698Z",
"updated_at": "2022-09-04T14:38:42.814721Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n5.884654 -0.000000 0.000000\n0.000000 4.212099 0.507468\n-0.000000 -0.105519 6.719163\nAg H Br N\n2 6 2 2\ndirect\n0.749999 0.342579 0.028909 Ag\n0.250000 0.657421 0.971091 Ag\n0.749999 0.381326 0.432013 H\n0.250000 0.618674 0.567987 H\n0.890778 0.692307 0.322374 H\n0.390778 0.307692 0.677626 H\n0.109221 0.307692 0.677626 H\n0.609221 0.692307 0.322374 H\n0.749999 0.979848 0.750205 Br\n0.250000 0.020151 0.249795 Br\n0.749999 0.551970 0.311770 N\n0.250000 0.448030 0.688229 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ag",
"H",
"Br",
"N"
],
"chemical_system": "Ag-Br-H-N",
"density": 4.076235026525395,
"density_atomic": 0.07191602077080249,
"volume": 166.8612900350006,
"volume_molar": 8.373851466549656,
"formula_full": "Ag2 H6 Br2 N2",
"formula_reduced": "AgH3BrN",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.2537674358333333,
"spacegroup": 11
}
]
}