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=701",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=699",
"results": [
{
"id": "jvasp-12710",
"created_at": "2022-09-04T14:38:11.554902Z",
"updated_at": "2022-09-04T14:38:11.554929Z",
"structure_string": "Ni2 H4 Se2 O10\n1.0\n5.059000 -0.039829 -1.610594\n-1.291343 4.891574 -1.610594\n-0.009740 -0.012543 7.555105\nNi H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.500000 Ni\n0.500000 0.499999 0.000000 Ni\n0.632126 0.031198 0.199372 H\n0.468802 0.867873 0.300630 H\n0.367874 0.968801 0.800630 H\n0.531198 0.132126 0.699372 H\n0.913845 0.586155 0.750001 Se\n0.086155 0.413845 0.250000 Se\n0.195470 0.293653 0.432011 O\n0.809473 0.239540 0.652069 O\n0.739541 0.309473 0.152069 O\n0.190527 0.760459 0.347932 O\n0.375576 0.124424 0.750001 O\n0.624424 0.875575 0.250001 O\n0.793654 0.695469 0.932012 O\n0.804531 0.706346 0.567991 O\n0.206347 0.304530 0.067990 O\n0.260460 0.690527 0.847933 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ni",
"H",
"Se",
"O"
],
"chemical_system": "H-Ni-O-Se",
"density": 3.9144541273984186,
"density_atomic": 0.09658311865486338,
"volume": 186.36797248515458,
"volume_molar": 6.235189797007822,
"formula_full": "Ni2 H4 Se2 O10",
"formula_reduced": "NiH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.4902170296296298,
"spacegroup": 15
},
{
"id": "jvasp-52540",
"created_at": "2022-09-04T14:38:12.114513Z",
"updated_at": "2022-09-04T14:38:12.114540Z",
"structure_string": "Na4 Dy4 O8\n1.0\n4.979387 6.629225 0.024751\n-4.979387 6.629225 -0.024751\n-5.050230 0.000000 3.304084\nNa Dy O\n4 4 8\ndirect\n0.694343 0.694344 0.749999 Na\n0.930285 0.930286 0.749999 Na\n0.069715 0.069715 0.250000 Na\n0.305657 0.305657 0.250000 Na\n0.182668 0.182669 0.749999 Dy\n0.443227 0.443228 0.749999 Dy\n0.817332 0.817332 0.250000 Dy\n0.556773 0.556774 0.250000 Dy\n0.206881 0.669261 0.749215 O\n0.438853 0.934460 0.794064 O\n0.330740 0.793119 0.249216 O\n0.065541 0.561147 0.294064 O\n0.934459 0.438854 0.705934 O\n0.669260 0.206882 0.750783 O\n0.561147 0.065542 0.205935 O\n0.793119 0.330740 0.250784 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Dy",
"O"
],
"chemical_system": "Dy-Na-O",
"density": 6.572622370300289,
"density_atomic": 0.07279694233308191,
"volume": 219.78945113919906,
"volume_molar": 8.272518827021244,
"formula_full": "Na4 Dy4 O8",
"formula_reduced": "NaDyO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.617088125,
"spacegroup": 15
},
{
"id": "jvasp-52542",
"created_at": "2022-09-04T14:38:12.163969Z",
"updated_at": "2022-09-04T14:38:12.163983Z",
"structure_string": "Ba2 Y2 F10\n1.0\n2.229117 8.114264 0.010279\n-2.229117 8.114264 -0.010279\n-0.287840 0.000000 5.890564\nBa Y F\n2 2 10\ndirect\n0.672440 0.672440 0.750000 Ba\n0.327559 0.327559 0.250000 Ba\n0.925903 0.925904 0.750000 Y\n0.074096 0.074096 0.250000 Y\n0.261891 0.806000 0.592800 F\n0.193999 0.738109 0.092800 F\n0.195494 0.172048 0.010347 F\n0.381010 0.381010 0.750000 F\n0.172048 0.195494 0.489653 F\n0.827952 0.804506 0.510347 F\n0.618990 0.618990 0.250000 F\n0.804506 0.827952 0.989652 F\n0.806000 0.261891 0.907199 F\n0.738109 0.193999 0.407200 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Y",
"F"
],
"chemical_system": "Ba-F-Y",
"density": 5.00520109272339,
"density_atomic": 0.06568426077585089,
"volume": 213.14086258465073,
"volume_molar": 9.168316258518459,
"formula_full": "Ba2 Y2 F10",
"formula_reduced": "BaYF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-34700",
"created_at": "2022-09-04T14:38:12.174139Z",
"updated_at": "2022-09-04T14:38:12.174167Z",
"structure_string": "Na8 Pt4 O12\n1.0\n5.469389 -0.001368 -0.463668\n-2.793728 4.702054 -0.463668\n-0.021160 -0.037173 10.706085\nNa Pt O\n8 4 12\ndirect\n0.084707 0.915292 0.750000 Na\n0.159231 0.318739 -0.000085 Na\n0.915292 0.084707 0.250000 Na\n0.681260 0.840768 0.500085 Na\n0.840768 0.681260 0.000085 Na\n0.500000 -0.000000 -0.000000 Na\n0.318739 0.159232 0.499915 Na\n-0.000000 0.500000 0.500000 Na\n0.750530 0.249470 0.750000 Pt\n0.417463 0.582537 0.750000 Pt\n0.249469 0.750530 0.250000 Pt\n0.582536 0.417463 0.250000 Pt\n0.048979 0.240178 0.645026 O\n0.311870 0.480275 0.355023 O\n0.590787 0.119525 0.355142 O\n0.480275 0.311870 0.855023 O\n0.688130 0.519724 0.644977 O\n0.119525 0.590787 0.855142 O\n0.880474 0.409213 0.144858 O\n0.759822 0.951020 0.854975 O\n0.409213 0.880474 0.644858 O\n0.951020 0.759822 0.354974 O\n0.240177 0.048979 0.145025 O\n0.519724 0.688129 0.144977 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Pt",
"O"
],
"chemical_system": "Na-O-Pt",
"density": 6.979185089243833,
"density_atomic": 0.08724012085740651,
"volume": 275.1027825744059,
"volume_molar": 6.902948667211448,
"formula_full": "Na8 Pt4 O12",
"formula_reduced": "Na2PtO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3353783166666666,
"spacegroup": 15
},
{
"id": "jvasp-51718",
"created_at": "2022-09-04T14:38:12.805750Z",
"updated_at": "2022-09-04T14:38:12.805783Z",
"structure_string": "Sr2 H8 Cl4 O4\n1.0\n5.712369 3.200961 -1.671677\n-5.712369 3.200961 1.671677\n-0.141990 0.000000 6.632265\nSr H Cl O\n2 8 4 4\ndirect\n0.736960 0.736960 0.750001 Sr\n0.263040 0.263040 0.250000 Sr\n0.742692 0.360405 0.571435 H\n0.257308 0.639595 0.428566 H\n0.639595 0.257308 0.071434 H\n0.360405 0.742692 0.928566 H\n0.576063 0.819269 0.116626 H\n0.180730 0.423937 0.616627 H\n0.423937 0.180730 0.883375 H\n0.819269 0.576063 0.383374 H\n0.054267 0.763199 0.163505 Cl\n0.763199 0.054267 0.336496 Cl\n0.945733 0.236800 0.836496 Cl\n0.236800 0.945733 0.663505 Cl\n0.472669 0.693748 0.021563 O\n0.527330 0.306252 0.978438 O\n0.306252 0.527330 0.521563 O\n0.693748 0.472669 0.478438 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.680809487607424,
"density_atomic": 0.07468157784875015,
"volume": 241.02329541637076,
"volume_molar": 8.063756730202487,
"formula_full": "Sr2 H8 Cl4 O4",
"formula_reduced": "SrH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.763764605,
"spacegroup": 15
},
{
"id": "jvasp-44247",
"created_at": "2022-09-04T14:38:12.647765Z",
"updated_at": "2022-09-04T14:38:12.647786Z",
"structure_string": "Li2 Fe4 F10\n1.0\n0.000000 5.270553 0.000000\n-5.767291 2.635277 -0.216586\n-0.348582 0.000000 5.358987\nLi Fe F\n2 4 10\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.344689 0.808699 0.537956 Fe\n0.846612 0.808699 0.037956 Fe\n0.153388 0.191300 0.962044 Fe\n0.655311 0.191301 0.462044 Fe\n0.465572 0.822244 0.908706 F\n0.712184 0.822244 0.408704 F\n0.135929 0.558277 0.836980 F\n0.305793 0.558277 0.336980 F\n0.694207 0.441723 0.663020 F\n0.864071 0.441723 0.163020 F\n0.287816 0.177756 0.591294 F\n0.534428 0.177756 0.091294 F\n0.945917 -0.000000 0.750000 F\n0.054083 -0.000000 0.250000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 4.344670032245202,
"density_atomic": 0.09798275481318414,
"volume": 163.29404118618544,
"volume_molar": 6.146123133077788,
"formula_full": "Li2 Fe4 F10",
"formula_reduced": "LiFe2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.7139753015625001,
"spacegroup": 15
},
{
"id": "jvasp-9384",
"created_at": "2022-09-04T14:38:12.833104Z",
"updated_at": "2022-09-04T14:38:12.833125Z",
"structure_string": "Ho2 Nb2 O8\n1.0\n4.785024 0.012236 -1.838303\n-1.204527 4.768301 -2.002516\n-0.019468 -0.000542 6.545580\nHo Nb O\n2 2 8\ndirect\n0.121510 0.371511 0.743019 Ho\n0.878489 0.628490 0.256980 Ho\n0.642349 0.892351 0.784699 Nb\n0.357649 0.107650 0.215301 Nb\n0.788995 0.950125 0.575506 O\n0.286509 0.625383 0.575506 O\n0.211003 0.049876 0.424493 O\n0.713489 0.374618 0.424493 O\n0.072007 0.280967 0.063023 O\n0.491016 0.782057 0.063023 O\n0.927992 0.719034 0.936976 O\n0.508983 0.217944 0.936977 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Nb",
"O"
],
"chemical_system": "Ho-Nb-O",
"density": 7.16058444311018,
"density_atomic": 0.08039301116477227,
"volume": 149.26670647284234,
"volume_molar": 7.4908759763421635,
"formula_full": "Ho2 Nb2 O8",
"formula_reduced": "HoNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.498961494444445,
"spacegroup": 15
},
{
"id": "jvasp-47587",
"created_at": "2022-09-04T14:38:12.845580Z",
"updated_at": "2022-09-04T14:38:12.845606Z",
"structure_string": "Na8 Bi4 O12\n1.0\n2.975728 5.144256 0.014044\n-2.975728 5.144256 -0.014044\n-1.933925 0.000000 11.056703\nNa Bi O\n8 4 12\ndirect\n0.152216 0.679826 0.001799 Na\n0.320175 0.847784 0.501799 Na\n0.000000 0.500000 0.500000 Na\n0.084822 0.084821 0.750000 Na\n0.915180 0.915179 0.250000 Na\n0.679827 0.152216 0.498201 Na\n0.500000 0.000000 -0.000000 Na\n0.847785 0.320174 0.998200 Na\n0.581538 0.581537 0.250000 Bi\n0.248741 0.248741 0.250000 Bi\n0.418464 0.418463 0.750000 Bi\n0.751261 0.751260 0.750000 Bi\n0.906836 0.581350 0.139649 O\n0.021868 0.779971 0.636280 O\n0.093165 0.418650 0.860351 O\n0.220030 0.978133 0.136280 O\n0.493918 0.703572 0.865111 O\n0.581350 0.906836 0.360351 O\n0.296428 0.506083 0.365111 O\n0.703573 0.493917 0.634889 O\n0.418652 0.093164 0.639649 O\n0.506083 0.296428 0.134889 O\n0.779972 0.021867 0.863719 O\n0.978133 0.220029 0.363719 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O",
"density": 5.939664449346528,
"density_atomic": 0.07084047102384042,
"volume": 338.78939048729814,
"volume_molar": 8.500989156287977,
"formula_full": "Na8 Bi4 O12",
"formula_reduced": "Na2BiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9834604666666666,
"spacegroup": 15
},
{
"id": "jvasp-48925",
"created_at": "2022-09-04T14:38:12.861962Z",
"updated_at": "2022-09-04T14:38:12.861987Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.560570 4.410848 -0.002938\n-2.560570 4.410848 0.002938\n-3.490765 0.000000 9.562315\nLi Mn O F\n8 4 8 4\ndirect\n0.000001 -0.000001 0.750000 Li\n0.364437 0.327819 0.754884 Li\n0.635566 0.672179 0.745117 Li\n0.486457 0.486455 0.500000 Li\n0.000000 -0.000000 0.250000 Li\n0.327821 0.364435 0.245116 Li\n0.672181 0.635564 0.254884 Li\n0.513544 0.513544 0.000000 Li\n0.158535 0.158535 0.000000 Mn\n0.836441 0.836441 0.000000 Mn\n0.163560 0.163559 0.500000 Mn\n0.841467 0.841465 0.500000 Mn\n0.426404 0.935482 0.894753 O\n0.235876 0.779975 0.617757 O\n0.064518 0.573598 0.394753 O\n0.220025 0.764125 0.117757 O\n0.764126 0.220023 0.882244 O\n0.573599 0.064516 0.605248 O\n0.779976 0.235875 0.382244 O\n0.935483 0.426402 0.105248 O\n0.900097 0.420765 0.636078 F\n0.099906 0.579233 0.863922 F\n0.420766 0.900095 0.363922 F\n0.579235 0.099905 0.136078 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.686027674021625,
"density_atomic": 0.11115817383236162,
"volume": 215.90854880536773,
"volume_molar": 5.417631967471893,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5217240873132187,
"spacegroup": 15
},
{
"id": "jvasp-89040",
"created_at": "2022-09-04T14:38:13.025919Z",
"updated_at": "2022-09-04T14:38:13.025947Z",
"structure_string": "Na4 V4 O12\n1.0\n5.752507 0.039581 1.436037\n1.581515 6.904497 0.831429\n0.055948 0.048150 7.131556\nNa V O\n4 4 12\ndirect\n0.249033 0.713590 0.286949 Na\n0.749033 0.286949 0.713590 Na\n0.249034 0.086272 0.914267 Na\n0.749034 0.914267 0.086272 Na\n0.264689 0.617099 0.798243 V\n0.233369 0.202301 0.383440 V\n0.733369 0.383440 0.202301 V\n0.764689 0.798242 0.617099 V\n0.452402 0.347939 0.358961 O\n0.952403 0.358960 0.347940 O\n0.545654 0.652604 0.641576 O\n0.334267 0.025554 0.228927 O\n0.834267 0.228927 0.025554 O\n0.163795 0.771614 0.974987 O\n0.663796 0.974987 0.771614 O\n0.327346 0.391309 0.894748 O\n0.827347 0.894748 0.391309 O\n0.045654 0.641576 0.652604 O\n0.670718 0.609231 0.105795 O\n0.170717 0.105795 0.609232 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.8705511616034154,
"density_atomic": 0.07088878210497876,
"volume": 282.1320864333954,
"volume_molar": 8.495195687071968,
"formula_full": "Na4 V4 O12",
"formula_reduced": "NaVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.82614074,
"spacegroup": 15
},
{
"id": "jvasp-98944",
"created_at": "2022-09-04T14:38:13.224458Z",
"updated_at": "2022-09-04T14:38:13.224487Z",
"structure_string": "Mo4 H24 N4 O12 F8\n1.0\n4.277241 6.830653 -1.817842\n-4.277241 6.830653 1.817842\n0.009967 0.000000 7.891781\nMo H N O F\n4 24 4 12 8\ndirect\n0.984886 0.716570 0.739157 Mo\n0.716571 0.984885 0.760843 Mo\n0.015114 0.283429 0.260843 Mo\n0.283429 0.015114 0.239157 Mo\n0.666754 0.751749 0.327416 H\n0.751749 0.666754 0.172584 H\n0.248251 0.333245 0.827416 H\n0.806579 0.076629 0.368703 H\n0.076629 0.806578 0.131297 H\n0.193421 0.923370 0.631297 H\n0.923371 0.193421 0.868703 H\n0.757969 0.133367 0.145248 H\n0.133367 0.757969 0.354752 H\n0.242031 0.866632 0.854752 H\n0.866632 0.242031 0.645248 H\n0.333245 0.248250 0.672584 H\n0.885669 0.706843 0.338702 H\n0.706843 0.885669 0.161298 H\n0.630739 0.528290 0.865647 H\n0.369261 0.471709 0.134353 H\n0.471709 0.369261 0.365647 H\n0.577922 0.407698 0.733353 H\n0.528291 0.630738 0.634353 H\n0.422078 0.592301 0.266647 H\n0.592301 0.422078 0.233353 H\n0.114331 0.293156 0.661298 H\n0.293157 0.114330 0.838702 H\n0.407699 0.577921 0.766647 H\n0.535498 0.535497 0.750000 N\n0.464502 0.464502 0.250000 N\n0.246535 0.246534 0.750000 N\n0.753465 0.753465 0.250000 N\n0.158093 0.811701 0.243478 O\n0.197834 0.048874 0.446096 O\n0.811701 0.158093 0.256522 O\n0.841907 0.188298 0.756522 O\n0.188299 0.841906 0.743478 O\n0.048874 0.197833 0.053904 O\n0.568874 0.888247 0.767485 O\n0.951126 0.802166 0.946096 O\n0.431126 0.111752 0.232515 O\n0.111752 0.431126 0.267485 O\n0.888248 0.568873 0.732515 O\n0.802166 0.951125 0.553904 O\n0.762198 0.491401 0.086613 F\n0.089309 0.662146 0.532530 F\n0.662146 0.089309 0.967470 F\n0.910690 0.337853 0.467470 F\n0.337854 0.910690 0.032530 F\n0.237802 0.508599 0.913387 F\n0.508599 0.237801 0.586613 F\n0.491401 0.762198 0.413387 F\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Mo",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-Mo-N-O",
"density": 2.9078602926521535,
"density_atomic": 0.11270399951382278,
"volume": 461.3855783673619,
"volume_molar": 5.3433248030043545,
"formula_full": "Mo4 H24 N4 O12 F8",
"formula_reduced": "MoH6NO3F2",
"formula_anonymous": "ABC2D3E6",
"energy_above_hull": 3.060632324230769,
"spacegroup": 15
},
{
"id": "jvasp-54582",
"created_at": "2022-09-04T14:38:13.173753Z",
"updated_at": "2022-09-04T14:38:13.173770Z",
"structure_string": "Ag2 Pb4 Br10\n1.0\n6.555162 0.000000 -2.768974\n-0.319687 7.992132 -0.756812\n-0.038190 0.004227 9.053295\nAg Pb Br\n2 4 10\ndirect\n0.500000 0.000000 0.500000 Ag\n-0.000000 0.500000 0.500000 Ag\n0.870867 0.064270 0.207175 Pb\n0.129132 0.935730 0.792825 Pb\n0.336307 0.564270 0.207175 Pb\n0.663692 0.435730 0.792825 Pb\n0.135808 0.819162 0.443137 Br\n0.925602 0.750000 0.000000 Br\n0.864191 0.180838 0.556863 Br\n0.293489 0.576990 0.825981 Br\n0.532492 0.076990 0.825981 Br\n0.706510 0.423011 0.174019 Br\n0.467507 0.923011 0.174019 Br\n0.692671 0.680838 0.556863 Br\n0.307328 0.319162 0.443137 Br\n0.074397 0.250000 0.000000 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"Br"
],
"chemical_system": "Ag-Br-Pb",
"density": 6.4656080180223325,
"density_atomic": 0.03379240619219975,
"volume": 473.47915709220064,
"volume_molar": 17.820988318346153,
"formula_full": "Ag2 Pb4 Br10",
"formula_reduced": "AgPb2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 15
}
]
}