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=elements&page=4427",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4425",
"results": [
{
"id": "jvasp-55469",
"created_at": "2022-09-04T14:37:29.075733Z",
"updated_at": "2022-09-04T14:37:29.075762Z",
"structure_string": "Sc2 Zn2 Mo6 O16\n1.0\n2.912908 -5.045305 0.000000\n2.912908 5.045305 -0.000000\n0.000000 0.000000 10.124411\nSc Zn Mo O\n2 2 6 16\ndirect\n0.666667 0.333333 0.986169 Sc\n0.333333 0.666667 0.486169 Sc\n0.666667 0.333333 0.547208 Zn\n0.333333 0.666667 0.047208 Zn\n0.855665 0.711330 0.248972 Mo\n0.144336 0.855665 0.748972 Mo\n0.711330 0.855665 0.748972 Mo\n0.144336 0.288671 0.748972 Mo\n0.288671 0.144336 0.248972 Mo\n0.855665 0.144336 0.248972 Mo\n0.489453 0.510547 0.633788 O\n0.666667 0.333333 0.352452 O\n0.333333 0.666667 0.852452 O\n0.000000 0.000000 0.108492 O\n0.000000 0.000000 0.608492 O\n0.510547 0.489453 0.133788 O\n0.021093 0.510547 0.633788 O\n0.165015 0.834986 0.371399 O\n0.165015 0.330030 0.371399 O\n0.330030 0.165015 0.871399 O\n0.834986 0.165015 0.871399 O\n0.489454 0.978907 0.633788 O\n0.669971 0.834986 0.371399 O\n0.834986 0.669971 0.871399 O\n0.510547 0.021093 0.133788 O\n0.978907 0.489454 0.133788 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sc",
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sc-Zn",
"density": 5.872182788685314,
"density_atomic": 0.08736940771028788,
"volume": 297.5870007750832,
"volume_molar": 6.892733873129924,
"formula_full": "Sc2 Zn2 Mo6 O16",
"formula_reduced": "ScZnMo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.4362677961538464,
"spacegroup": 186
},
{
"id": "jvasp-10291",
"created_at": "2022-09-04T14:38:32.558569Z",
"updated_at": "2022-09-04T14:38:32.558601Z",
"structure_string": "Se2 S4 N4 O4\n1.0\n4.269067 0.000000 -1.178541\n-0.247433 6.930048 -0.896286\n0.012051 -0.101061 8.364910\nSe S N O\n2 4 4 4\ndirect\n0.871209 0.250000 0.000000 Se\n0.128793 0.750000 -0.000000 Se\n0.492369 0.375600 0.682259 S\n0.810110 0.124400 0.317742 S\n0.507632 0.624401 0.317741 S\n0.189891 0.875600 0.682258 S\n0.508267 0.303799 0.849556 N\n0.658710 0.196201 0.150444 N\n0.491735 0.696201 0.150443 N\n0.341291 0.803800 0.849556 N\n0.792531 0.406543 0.642339 O\n0.150192 0.093457 0.357662 O\n0.849809 0.906543 0.642338 O\n0.207470 0.593457 0.357661 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Se",
"S",
"N",
"O"
],
"chemical_system": "N-O-S-Se",
"density": 2.729110934966965,
"density_atomic": 0.05664420741869917,
"volume": 247.1567815666598,
"volume_molar": 10.631520917021419,
"formula_full": "Se2 S4 N4 O4",
"formula_reduced": "SeS2(NO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.293325266666667,
"spacegroup": 15
},
{
"id": "jvasp-55235",
"created_at": "2022-09-04T14:37:32.090797Z",
"updated_at": "2022-09-04T14:37:32.090814Z",
"structure_string": "Si6 Ag6 Sn4 P12\n1.0\n8.553997 0.000000 -3.024295\n-4.276998 7.407978 -3.024295\n-0.000000 -0.000000 9.072883\nSi Ag Sn P\n6 6 4 12\ndirect\n0.250000 0.750000 0.500000 Si\n0.500000 0.750000 0.250001 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.500000 0.750000 Si\n0.750000 0.500000 0.250001 Si\n0.500000 0.250000 0.750000 Si\n0.803195 0.803195 0.000001 Ag\n-0.000000 0.803195 0.803195 Ag\n0.196805 0.196805 0.000000 Ag\n0.196805 0.000000 0.196805 Ag\n0.803195 0.000000 0.803195 Ag\n-0.000000 0.196805 0.196805 Ag\n0.408250 -0.000000 0.000000 Sn\n0.591750 0.591750 0.591750 Sn\n0.000000 0.000000 0.408250 Sn\n-0.000000 0.408250 0.000000 Sn\n0.497555 0.250990 0.497555 P\n0.497555 0.497555 0.250990 P\n0.502445 0.753435 0.000001 P\n-0.000000 0.502445 0.753435 P\n0.502445 0.000000 0.753435 P\n0.753435 0.000000 0.502445 P\n0.753435 0.502445 0.000001 P\n-0.000000 0.753435 0.502445 P\n0.749010 0.246565 0.246565 P\n0.246565 0.749010 0.246565 P\n0.246565 0.246565 0.749010 P\n0.250990 0.497555 0.497555 P\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Si",
"Ag",
"Sn",
"P"
],
"chemical_system": "Ag-P-Si-Sn",
"density": 4.800988406065086,
"density_atomic": 0.048701680066959754,
"volume": 574.928831233397,
"volume_molar": 12.365365530963574,
"formula_full": "Si6 Ag6 Sn4 P12",
"formula_reduced": "Si3Ag3(SnP3)2",
"formula_anonymous": "A2B3C3D6",
"energy_above_hull": 2.3973052842857143,
"spacegroup": 217
},
{
"id": "jvasp-32414",
"created_at": "2022-09-04T14:38:06.006231Z",
"updated_at": "2022-09-04T14:38:06.006261Z",
"structure_string": "Si2 C2 Cl6 F6\n1.0\n6.082369 0.000704 0.225776\n0.210028 7.214111 1.662867\n-0.002320 0.090601 7.405702\nSi C Cl F\n2 2 6 6\ndirect\n0.677121 0.810614 0.810615 Si\n0.322880 0.189385 0.189386 Si\n0.249817 0.353217 0.353217 C\n0.750183 0.646782 0.646784 C\n0.344213 0.832378 0.832379 Cl\n0.191266 0.307303 0.940023 Cl\n0.808735 0.692696 0.059977 Cl\n0.808735 0.059976 0.692697 Cl\n0.655787 0.167621 0.167622 Cl\n0.191266 0.940023 0.307304 Cl\n0.669023 0.473622 0.713946 F\n0.669023 0.713945 0.473623 F\n0.026346 0.374774 0.374774 F\n0.330978 0.286054 0.526378 F\n0.973655 0.625226 0.625227 F\n0.330978 0.526377 0.286055 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Si",
"C",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-Si",
"density": 2.0851289237031065,
"density_atomic": 0.049375923736166595,
"volume": 324.04457049743075,
"volume_molar": 12.196512600307946,
"formula_full": "Si2 C2 Cl6 F6",
"formula_reduced": "SiC(ClF)3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.14120895625,
"spacegroup": 12
},
{
"id": "jvasp-39100",
"created_at": "2022-09-04T14:37:38.532462Z",
"updated_at": "2022-09-04T14:37:38.532472Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n0.000000 5.398395 -0.002625\n5.022557 0.000000 0.000000\n0.000000 -2.443965 -4.827215\nSi Ge N O\n2 2 4 2\ndirect\n0.165866 0.314915 0.519812 Si\n0.834136 0.814916 0.480188 Si\n0.522047 0.316445 0.176114 Ge\n0.477955 0.816445 0.823886 Ge\n0.589736 0.674667 0.172460 N\n0.151212 0.653861 0.576277 N\n0.848790 0.153861 0.423723 N\n0.410266 0.174667 0.827540 N\n0.255340 0.244111 0.274354 O\n0.744662 0.744111 0.725646 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Si",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O-Si",
"density": 3.671719376267458,
"density_atomic": 0.07638479560262673,
"volume": 130.91610602746863,
"volume_molar": 7.883952182485006,
"formula_full": "Si2 Ge2 N4 O2",
"formula_reduced": "SiGeN2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.31821491,
"spacegroup": 4
},
{
"id": "jvasp-35205",
"created_at": "2022-09-04T14:38:07.925552Z",
"updated_at": "2022-09-04T14:38:07.925574Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n-0.232261 0.000000 5.025449\n2.825295 4.578126 0.106201\n-2.825295 4.578126 -0.106201\nSi Ge N O\n2 2 4 2\ndirect\n0.408785 0.012969 0.332920 Si\n0.408785 0.667081 0.987032 Si\n0.913651 0.325654 0.029366 Ge\n0.913651 0.970635 0.674347 Ge\n0.748400 0.659520 0.942882 N\n0.748400 0.057119 0.340481 N\n0.268993 0.334813 0.114992 N\n0.268993 0.885009 0.665188 N\n0.857027 0.267946 0.732055 O\n0.331315 0.799960 0.200041 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Si",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O-Si",
"density": 3.6910703480471905,
"density_atomic": 0.07678736450090938,
"volume": 130.2297593490342,
"volume_molar": 7.8426194194080985,
"formula_full": "Si2 Ge2 N4 O2",
"formula_reduced": "SiGeN2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.31815291,
"spacegroup": 8
},
{
"id": "jvasp-33064",
"created_at": "2022-09-04T14:37:05.281564Z",
"updated_at": "2022-09-04T14:37:05.281591Z",
"structure_string": "Si2 H12 N4 F8\n1.0\n4.968381 0.000000 -0.533674\n0.000000 7.159268 0.000000\n-0.349797 0.000000 6.546509\nSi H N F\n2 12 4 8\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.229830 0.830011 0.310025 H\n0.770170 0.169990 0.689976 H\n0.229829 0.669990 0.810025 H\n0.208677 0.060415 0.357381 H\n0.791323 0.560415 0.142620 H\n0.770170 0.330011 0.189976 H\n0.208677 0.439585 0.857381 H\n0.443516 0.980690 0.223293 H\n0.556484 0.480690 0.276707 H\n0.556484 0.019310 0.776707 H\n0.443515 0.519311 0.723293 H\n0.791322 0.939585 0.642620 H\n0.246967 0.962117 0.250268 N\n0.753033 0.462117 0.249733 N\n0.246966 0.537884 0.750268 N\n0.753032 0.037884 0.749733 N\n0.243854 0.571122 0.358610 F\n0.113921 0.274797 0.497534 F\n0.886079 0.774798 0.002466 F\n0.886079 0.725203 0.502466 F\n0.113920 0.225203 0.997534 F\n0.756145 0.428878 0.641391 F\n0.243854 0.928878 0.858610 F\n0.756145 0.071122 0.141391 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Si",
"H",
"N",
"F"
],
"chemical_system": "F-H-N-Si",
"density": 1.9815522087065098,
"density_atomic": 0.11230002220408981,
"volume": 231.52266125779195,
"volume_molar": 5.362546366247008,
"formula_full": "Si2 H12 N4 F8",
"formula_reduced": "SiH6(NF2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.554826633076923,
"spacegroup": 14
},
{
"id": "jvasp-33530",
"created_at": "2022-09-04T14:38:02.953098Z",
"updated_at": "2022-09-04T14:38:02.953130Z",
"structure_string": "Si2 H20 O8 F12\n1.0\n5.804642 0.000000 -1.557941\n0.000000 9.946337 0.000000\n0.058102 0.000000 6.447332\nSi H O F\n2 20 8 12\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.610313 0.356008 0.631815 H\n0.389686 0.643992 0.368185 H\n0.610313 0.143992 0.131815 H\n0.744874 0.224495 0.736173 H\n0.255125 0.724495 0.763827 H\n0.255125 0.775505 0.263827 H\n0.744874 0.275505 0.236173 H\n0.432658 0.191860 0.628377 H\n0.567341 0.691860 0.871622 H\n0.389686 0.856009 0.868185 H\n0.432658 0.308140 0.128377 H\n0.173724 0.114862 0.649750 H\n0.826275 0.614862 0.850250 H\n0.826276 0.885139 0.350250 H\n0.173724 0.385138 0.149750 H\n0.216291 0.122302 0.410481 H\n0.783709 0.622302 0.089519 H\n0.783708 0.877699 0.589518 H\n0.216291 0.377698 0.910481 H\n0.567342 0.808140 0.371623 H\n0.597824 0.273915 0.715705 O\n0.402175 0.773915 0.784295 O\n0.402176 0.726086 0.284295 O\n0.597824 0.226085 0.215705 O\n0.706420 0.612982 0.933156 O\n0.706420 0.887018 0.433156 O\n0.293580 0.387018 0.066844 O\n0.293579 0.112982 0.566844 O\n0.969179 0.394473 0.279528 F\n0.066040 0.363987 0.668493 F\n0.933959 0.863987 0.831507 F\n0.933959 0.636013 0.331507 F\n0.066040 0.136013 0.168493 F\n0.282679 0.519838 0.509479 F\n0.717320 0.019838 0.990520 F\n0.717320 0.480162 0.490520 F\n0.282680 0.980162 0.009480 F\n0.030820 0.605527 0.720472 F\n0.969179 0.105527 0.779528 F\n0.030820 0.894473 0.220472 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Si",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Si",
"density": 1.9238552076980504,
"density_atomic": 0.11255932378776312,
"volume": 373.1365700027955,
"volume_molar": 5.350192731572449,
"formula_full": "Si2 H20 O8 F12",
"formula_reduced": "SiH10(O2F3)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 2.1897530616666665,
"spacegroup": 14
},
{
"id": "jvasp-119597",
"created_at": "2022-09-04T14:38:51.458982Z",
"updated_at": "2022-09-04T14:38:51.459011Z",
"structure_string": "Si2 Hg4 O4 F12\n1.0\n7.374745 0.000000 0.000000\n-0.000000 4.370241 2.328751\n-0.000000 0.549107 9.199310\nSi Hg O F\n2 4 4 12\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.498565 0.812052 0.687110 Hg\n-0.001434 0.187949 0.812890 Hg\n0.501434 0.187948 0.312890 Hg\n0.001434 0.812052 0.187110 Hg\n0.056341 0.603850 -0.000644 O\n0.556341 0.396150 0.500644 O\n0.943658 0.396150 0.000644 O\n0.443659 0.603850 0.499356 O\n0.355943 0.030803 0.844237 F\n0.855943 0.969198 0.655763 F\n0.360690 0.715676 0.155121 F\n0.860690 0.284324 0.344879 F\n0.639309 0.284324 0.844879 F\n0.622335 0.716284 0.993234 F\n0.877664 0.716284 0.493234 F\n0.377664 0.283716 0.006766 F\n0.122335 0.283717 0.506766 F\n0.144056 0.030803 0.344237 F\n0.139310 0.715677 0.655120 F\n0.644056 0.969197 0.155763 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Si",
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O-Si",
"density": 6.6553298804743966,
"density_atomic": 0.07663955674356418,
"volume": 287.0580276659475,
"volume_molar": 7.857744767692319,
"formula_full": "Si2 Hg4 O4 F12",
"formula_reduced": "SiHg2(OF3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.2408805904545455,
"spacegroup": 14
},
{
"id": "jvasp-91432",
"created_at": "2022-09-04T14:36:15.912183Z",
"updated_at": "2022-09-04T14:36:15.912198Z",
"structure_string": "Si1 Hg3 S2 F6\n1.0\n7.369246 -0.000000 -0.000000\n-3.684622 6.381954 0.000000\n-0.000000 0.000000 4.566120\nSi Hg S F\n1 3 2 6\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.333333 0.666667 0.237335 S\n0.666667 0.333333 0.762665 S\n0.110841 0.889159 0.285744 F\n0.889160 0.110840 0.714256 F\n0.110841 0.221682 0.285744 F\n0.889160 0.778317 0.714256 F\n0.221682 0.110840 0.714256 F\n0.778318 0.889159 0.285744 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Si",
"Hg",
"S",
"F"
],
"chemical_system": "F-Hg-S-Si",
"density": 6.24774750960594,
"density_atomic": 0.05588010343581847,
"volume": 214.74548653587755,
"volume_molar": 10.776896229114495,
"formula_full": "Si1 Hg3 S2 F6",
"formula_reduced": "SiHg3(SF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-96829",
"created_at": "2022-09-04T14:36:30.979523Z",
"updated_at": "2022-09-04T14:36:30.979564Z",
"structure_string": "Si2 Ni4 P8 O28\n1.0\n4.884937 0.000000 0.000000\n-2.442468 8.231611 -2.030851\n0.000000 -0.036934 12.255196\nSi Ni P O\n2 4 8 28\ndirect\n0.671047 0.000000 0.750000 Si\n0.328954 0.000000 0.250000 Si\n0.400123 0.504594 0.370744 Ni\n0.895529 0.495406 0.129257 Ni\n0.104471 0.504595 0.870744 Ni\n0.599877 0.495406 0.629257 Ni\n0.002119 0.251797 0.634659 P\n0.805848 0.274047 0.414508 P\n-0.002119 0.748204 0.365341 P\n0.531800 0.725953 0.085492 P\n0.249678 0.251797 0.134659 P\n0.468201 0.274048 0.914508 P\n0.750322 0.748204 0.865341 P\n0.194153 0.725953 0.585492 P\n0.909829 0.694622 0.634941 O\n0.685824 0.714801 0.382439 O\n0.733983 0.416621 0.955542 O\n0.184905 0.809874 0.483495 O\n0.784794 0.694622 0.134941 O\n0.317362 0.583380 0.544459 O\n0.897985 0.389339 0.706425 O\n0.458012 0.867773 0.170100 O\n0.818373 0.912432 0.826257 O\n0.375031 0.190126 0.016506 O\n0.682638 0.416621 0.455542 O\n0.491354 0.389339 0.206425 O\n0.314176 0.285200 0.617562 O\n0.094059 0.912431 0.326257 O\n0.215206 0.305378 0.865060 O\n0.624969 0.809874 0.983495 O\n0.508646 0.610661 0.793575 O\n0.541989 0.132228 0.829900 O\n0.102015 0.610661 0.293575 O\n0.409761 0.867773 0.670100 O\n0.590240 0.132227 0.329900 O\n0.028977 0.714801 0.882439 O\n0.971024 0.285199 0.117561 O\n0.181628 0.087569 0.173743 O\n0.815096 0.190127 0.516506 O\n0.905942 0.087569 0.673743 O\n0.090172 0.305378 0.365060 O\n0.266017 0.583379 0.044459 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Si",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Si",
"density": 3.3273697716336055,
"density_atomic": 0.08529199145643088,
"volume": 492.4260681784476,
"volume_molar": 7.060616896342783,
"formula_full": "Si2 Ni4 P8 O28",
"formula_reduced": "SiNi2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 2.972894971428571,
"spacegroup": 15
},
{
"id": "jvasp-35453",
"created_at": "2022-09-04T14:37:30.490966Z",
"updated_at": "2022-09-04T14:37:30.490991Z",
"structure_string": "Sm2 Al1 N1 O3\n1.0\n3.688832 0.000000 -0.000000\n-0.000000 3.688832 0.000000\n-1.844416 -1.844416 6.209192\nSm Al N O\n2 1 1 3\ndirect\n0.518801 0.518801 0.037602 Sm\n0.808223 0.808223 0.616446 Sm\n0.157233 0.157233 0.314466 Al\n0.995608 0.995608 0.991219 N\n0.170636 0.670636 0.341273 O\n0.670636 0.170636 0.341273 O\n0.331559 0.331559 0.663118 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sm",
"Al",
"N",
"O"
],
"chemical_system": "Al-N-O-Sm",
"density": 7.659031152807066,
"density_atomic": 0.08284860447352646,
"volume": 84.49146542035948,
"volume_molar": 7.268849968286819,
"formula_full": "Sm2 Al1 N1 O3",
"formula_reduced": "Sm2AlNO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.356606328571428,
"spacegroup": 107
}
]
}