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=nelements&page=4635",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4633",
"results": [
{
"id": "jvasp-8401",
"created_at": "2022-09-04T14:37:08.794167Z",
"updated_at": "2022-09-04T14:37:08.794191Z",
"structure_string": "Ba1 Y1 Cu1 Sb1 O5\n1.0\n4.132541 0.000000 0.000000\n0.000000 4.132541 -0.000000\n0.000000 0.000000 7.613650\nBa Y Cu Sb O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.013101 Ba\n0.000000 0.000000 0.566791 Y\n0.500000 0.500000 0.724304 Cu\n0.500000 0.500000 0.321135 Sb\n0.500000 0.000000 0.342368 O\n0.000000 0.500000 0.342368 O\n0.500000 0.000000 0.720177 O\n0.000000 0.500000 0.720177 O\n0.500000 0.500000 0.061662 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Sb",
"O"
],
"chemical_system": "Ba-Cu-O-Sb-Y",
"density": 6.277360141602981,
"density_atomic": 0.06921739634720353,
"volume": 130.0251161551183,
"volume_molar": 8.700328353571916,
"formula_full": "Ba1 Y1 Cu1 Sb1 O5",
"formula_reduced": "BaYCuSbO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.8455483855555557,
"spacegroup": 99
},
{
"id": "jvasp-9239",
"created_at": "2022-09-04T14:37:26.982697Z",
"updated_at": "2022-09-04T14:37:26.982725Z",
"structure_string": "Sr2 Y1 Ti2 Tl1 O7\n1.0\n3.891283 0.000000 0.000000\n0.000000 3.891283 0.000000\n0.000000 -0.000000 12.757099\nSr Y Ti Tl O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.813402 Sr\n0.500000 0.500000 0.186571 Sr\n0.500000 0.500000 0.500003 Y\n0.000000 0.000000 0.638554 Ti\n0.000000 0.000000 0.361453 Ti\n0.000000 0.000000 0.999994 Tl\n0.500000 0.000000 0.614783 O\n0.000000 0.500000 0.614783 O\n0.500000 0.000000 0.385231 O\n0.000000 0.500000 0.385231 O\n0.000000 0.000000 0.787065 O\n0.000000 0.000000 0.212943 O\n0.500000 0.500000 0.999985 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Ti",
"Tl",
"O"
],
"chemical_system": "O-Sr-Ti-Tl-Y",
"density": 5.813324473827207,
"density_atomic": 0.06729856330943969,
"volume": 193.1690568225926,
"volume_molar": 8.94839423586224,
"formula_full": "Sr2 Y1 Ti2 Tl1 O7",
"formula_reduced": "Sr2YTi2TlO7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.203088602820513,
"spacegroup": 123
},
{
"id": "jvasp-52770",
"created_at": "2022-09-04T14:37:33.705256Z",
"updated_at": "2022-09-04T14:37:33.705278Z",
"structure_string": "Na2 H6 C2 N8 O2\n1.0\n5.599075 0.000000 0.000000\n0.000000 5.845678 0.000000\n-0.000000 0.000000 6.280788\nNa H C N O\n2 6 2 8 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.183695 0.500000 0.250000 H\n0.816306 0.500000 0.750000 H\n0.423633 0.137315 0.250000 H\n0.576368 0.137315 0.750000 H\n0.576368 0.862686 0.750000 H\n0.423633 0.862686 0.250000 H\n0.010711 0.500000 0.750000 C\n0.989290 0.500000 0.250000 C\n0.626855 0.387698 0.250000 N\n0.373146 0.387698 0.750000 N\n0.373146 0.612303 0.750000 N\n0.626855 0.612303 0.250000 N\n0.854560 0.310610 0.250000 N\n0.145441 0.310610 0.750000 N\n0.145441 0.689391 0.750000 N\n0.854560 0.689391 0.250000 N\n0.318116 0.000000 0.250000 O\n0.681885 0.000000 0.750000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-Na-O",
"density": 1.7778935816365413,
"density_atomic": 0.09728921223943711,
"volume": 205.57263790746174,
"volume_molar": 6.189936809416233,
"formula_full": "Na2 H6 C2 N8 O2",
"formula_reduced": "NaH3CN4O",
"formula_anonymous": "ABCD3E4",
"energy_above_hull": 4.28384455,
"spacegroup": 51
},
{
"id": "jvasp-44565",
"created_at": "2022-09-04T14:37:26.987197Z",
"updated_at": "2022-09-04T14:37:26.987217Z",
"structure_string": "Na6 Si2 Sn2 B2 O14\n1.0\n0.000000 5.312196 0.025075\n6.732075 0.000000 0.000000\n0.000000 -0.213732 -9.063416\nNa Si Sn B O\n6 2 2 2 14\ndirect\n0.232558 0.750001 0.080950 Na\n0.746623 0.993223 0.248139 Na\n0.746623 0.506778 0.248139 Na\n0.253378 0.493222 0.751862 Na\n0.253378 0.006778 0.751862 Na\n0.767443 0.250000 0.919051 Na\n0.283744 0.750001 0.423884 Si\n0.716257 0.250000 0.576117 Si\n0.783571 0.750001 0.659816 Sn\n0.216430 0.250000 0.340185 Sn\n0.279573 0.250000 0.060070 B\n0.720428 0.750001 0.939931 B\n0.523512 0.750001 0.830009 O\n0.794293 0.058477 0.679888 O\n0.794293 0.441523 0.679888 O\n0.406545 0.250000 0.541440 O\n0.143225 0.750001 0.582204 O\n0.856776 0.250000 0.417797 O\n0.678574 0.750001 0.084944 O\n0.205708 0.558477 0.320113 O\n0.205708 0.941524 0.320113 O\n0.476489 0.250000 0.169992 O\n0.040414 0.250000 0.123705 O\n0.959587 0.750001 0.876296 O\n0.593456 0.750001 0.458561 O\n0.321427 0.250000 0.915057 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Si",
"Sn",
"B",
"O"
],
"chemical_system": "B-Na-O-Si-Sn",
"density": 3.469469100981086,
"density_atomic": 0.08022444899566061,
"volume": 324.09072702271044,
"volume_molar": 7.506615296698069,
"formula_full": "Na6 Si2 Sn2 B2 O14",
"formula_reduced": "Na3SiSnBO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.9742649525641036,
"spacegroup": 11
},
{
"id": "jvasp-101855",
"created_at": "2022-09-04T14:37:13.095276Z",
"updated_at": "2022-09-04T14:37:13.095307Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.616567 0.011067 0.531423\n0.946582 5.993122 2.045002\n-0.092777 -0.053849 6.446713\nH C S N O\n2 4 2 2 4\ndirect\n0.431495 0.188086 0.596748 H\n0.431547 0.688087 0.096738 H\n0.915271 0.242000 0.718390 C\n0.629726 0.248191 0.851811 C\n0.915317 0.742007 0.218376 C\n0.629772 0.748192 0.351802 C\n0.599513 0.276588 0.098853 S\n0.599559 0.776580 0.598846 S\n0.411001 0.234663 0.737259 N\n0.411048 0.734670 0.237244 N\n0.949106 0.249159 0.527200 O\n0.949147 0.749182 0.027185 O\n0.139425 0.728085 0.348713 O\n0.139377 0.228093 0.848722 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9120889657253952,
"density_atomic": 0.07818060853299391,
"volume": 179.07253809736844,
"volume_molar": 7.702857361948681,
"formula_full": "H2 C4 S2 N2 O4",
"formula_reduced": "HC2SNO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.297761464285714,
"spacegroup": 1
},
{
"id": "jvasp-44490",
"created_at": "2022-09-04T14:37:30.689938Z",
"updated_at": "2022-09-04T14:37:30.689970Z",
"structure_string": "Na4 Sn2 B2 As2 O14\n1.0\n0.000000 5.422206 0.048796\n6.920589 0.000000 0.000000\n0.000000 -0.542739 -9.588416\nNa Sn B As O\n4 2 2 2 14\ndirect\n0.766707 0.490799 0.175554 Na\n0.766707 0.009201 0.175554 Na\n0.233293 0.509201 0.824446 Na\n0.233293 0.990799 0.824446 Na\n0.220823 0.250000 0.341825 Sn\n0.779177 0.750000 0.658175 Sn\n0.285711 0.250000 0.081914 B\n0.714289 0.750000 0.918086 B\n0.266239 0.750000 0.429957 As\n0.733761 0.250000 0.570043 As\n0.523245 0.750000 0.805173 O\n0.822390 0.054306 0.669159 O\n0.822390 0.445694 0.669159 O\n0.137174 0.750000 0.588601 O\n0.413282 0.250000 0.536331 O\n0.586718 0.750000 0.463669 O\n0.051176 0.250000 0.141562 O\n0.177610 0.554306 0.330841 O\n0.177610 0.945694 0.330841 O\n0.476756 0.250000 0.194827 O\n0.948825 0.750000 0.858438 O\n0.671516 0.750000 0.051333 O\n0.862827 0.250000 0.411399 O\n0.328485 0.250000 0.948667 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Sn",
"B",
"As",
"O"
],
"chemical_system": "As-B-Na-O-Sn",
"density": 3.346910678903225,
"density_atomic": 0.06673698539278303,
"volume": 359.62067897953585,
"volume_molar": 9.023693120923076,
"formula_full": "Na4 Sn2 B2 As2 O14",
"formula_reduced": "Na2SnBAsO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.153013211111111,
"spacegroup": 11
},
{
"id": "jvasp-40994",
"created_at": "2022-09-04T14:37:33.453104Z",
"updated_at": "2022-09-04T14:37:33.453131Z",
"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Ni",
"P",
"H",
"O"
],
"chemical_system": "H-Ni-O-P-Sr",
"density": 3.913203121224911,
"density_atomic": 0.10389142262685175,
"volume": 182.88324020975784,
"volume_molar": 5.796571658884493,
"formula_full": "Sr1 Ni2 P2 H4 O10",
"formula_reduced": "SrNi2P2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.6844530057894733,
"spacegroup": 12
},
{
"id": "jvasp-42958",
"created_at": "2022-09-04T14:37:27.011877Z",
"updated_at": "2022-09-04T14:37:27.011907Z",
"structure_string": "Li4 V2 Si1 Ge1 O10\n1.0\n6.470329 0.000000 0.000000\n0.000000 6.470329 -0.000000\n0.000000 -0.000000 4.503731\nLi V Si Ge O\n4 2 1 1 10\ndirect\n0.755521 0.755521 0.000000 Li\n0.755521 0.244479 0.000000 Li\n0.244479 0.755521 0.000000 Li\n0.244479 0.244479 0.000000 Li\n0.000000 0.500000 0.592392 V\n0.500000 0.000000 0.407608 V\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Ge\n0.500000 0.283662 0.258640 O\n0.500000 0.716338 0.258640 O\n0.283662 0.500000 0.741360 O\n0.204971 0.000000 0.281582 O\n0.795029 0.000000 0.281582 O\n0.000000 0.204971 0.718418 O\n0.000000 0.500000 0.223904 O\n0.500000 0.000000 0.776096 O\n0.000000 0.795029 0.718418 O\n0.716338 0.500000 0.741360 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"V",
"Si",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Si-V",
"density": 3.4379255477493817,
"density_atomic": 0.09546569400956006,
"volume": 188.54940705922544,
"volume_molar": 6.308172608473296,
"formula_full": "Li4 V2 Si1 Ge1 O10",
"formula_reduced": "Li4V2SiGeO10",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 2.6244993305555555,
"spacegroup": 115
},
{
"id": "jvasp-23321",
"created_at": "2022-09-04T14:37:33.456231Z",
"updated_at": "2022-09-04T14:37:33.456256Z",
"structure_string": "Yb4 Be4 Si4 Ni2 O20\n1.0\n0.000000 4.581494 -0.050595\n7.460362 0.000000 0.000000\n0.000000 -0.001307 -10.057220\nYb Be Si Ni O\n4 4 4 2 20\ndirect\n0.996866 0.394623 0.170540 Yb\n0.003133 0.894623 0.329460 Yb\n0.003133 0.605377 0.829460 Yb\n0.996865 0.105377 0.670540 Yb\n0.447237 0.911763 0.845669 Be\n0.552761 0.088237 0.154332 Be\n0.447238 0.588237 0.345669 Be\n0.552761 0.411763 0.654332 Be\n0.514829 0.780483 0.580679 Si\n0.485169 0.280483 0.919321 Si\n0.485169 0.219517 0.419321 Si\n0.514830 0.719516 0.080679 Si\n-0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.253890 0.422838 0.975016 O\n0.720240 0.196504 0.030634 O\n0.279759 0.696504 0.469366 O\n0.279758 0.803495 0.969366 O\n0.720240 0.303496 0.530634 O\n0.253891 0.077161 0.475016 O\n0.746108 0.577161 0.024984 O\n0.746108 0.922838 0.524984 O\n0.791497 0.586295 0.349862 O\n0.725065 0.604420 0.627282 O\n0.208502 0.086295 0.150139 O\n0.208501 0.413705 0.650139 O\n0.319964 0.669452 0.211622 O\n0.680034 0.169452 0.288379 O\n0.274933 0.104420 0.872719 O\n0.680034 0.330548 0.788379 O\n0.725065 0.895580 0.127282 O\n0.274934 0.395580 0.372719 O\n0.791497 0.913705 0.849862 O\n0.319964 0.830548 0.711622 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Yb",
"Be",
"Si",
"Ni",
"O"
],
"chemical_system": "Be-Ni-O-Si-Yb",
"density": 6.173181501798684,
"density_atomic": 0.09890843266932835,
"volume": 343.75228767064925,
"volume_molar": 6.088601949778419,
"formula_full": "Yb4 Be4 Si4 Ni2 O20",
"formula_reduced": "Yb2Be2Si2NiO10",
"formula_anonymous": "AB2C2D2E10",
"energy_above_hull": 2.304238717647059,
"spacegroup": 14
},
{
"id": "jvasp-40129",
"created_at": "2022-09-04T14:37:19.429499Z",
"updated_at": "2022-09-04T14:37:19.429525Z",
"structure_string": "Ca2 Re2 H8 Cl2 O12\n1.0\n3.516902 7.117475 -0.000000\n-3.516902 7.117475 -0.000000\n0.000000 -0.000000 6.686298\nCa Re H Cl O\n2 2 8 2 12\ndirect\n0.412099 0.412099 0.250000 Ca\n0.587901 0.587901 0.750000 Ca\n0.242818 0.242818 0.750000 Re\n0.757183 0.757183 0.250000 Re\n0.839427 0.251395 0.066386 H\n0.160576 0.748605 0.566386 H\n0.748605 0.160576 0.933615 H\n0.251395 0.839427 0.433614 H\n0.160576 0.748605 0.933615 H\n0.839427 0.251395 0.433614 H\n0.251395 0.839427 0.066386 H\n0.748605 0.160576 0.566386 H\n0.116890 0.116890 0.250000 Cl\n0.883111 0.883111 0.750000 Cl\n0.316479 0.316479 0.540371 O\n0.683522 0.683522 0.040371 O\n0.683522 0.683522 0.459630 O\n0.316479 0.316479 0.959630 O\n0.372191 0.969251 0.750000 O\n0.627810 0.030750 0.250000 O\n0.030750 0.627810 0.250000 O\n0.969251 0.372191 0.750000 O\n0.706062 0.293938 0.500000 O\n0.293938 0.706062 0.000000 O\n0.293938 0.706062 0.500000 O\n0.706062 0.293938 0.000000 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ca",
"Re",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O-Re",
"density": 3.589261427832278,
"density_atomic": 0.07767323736252314,
"volume": 334.73562945047064,
"volume_molar": 7.7531733766843685,
"formula_full": "Ca2 Re2 H8 Cl2 O12",
"formula_reduced": "CaReH4ClO6",
"formula_anonymous": "ABCD4E6",
"energy_above_hull": 2.834449499038461,
"spacegroup": 63
},
{
"id": "jvasp-101857",
"created_at": "2022-09-04T14:37:14.424975Z",
"updated_at": "2022-09-04T14:37:14.424990Z",
"structure_string": "H2 C2 S2 N2 O4\n1.0\n4.376879 0.009955 0.863280\n0.839695 5.170069 2.117028\n-0.059693 -0.078219 6.764145\nH C S N O\n2 2 2 2 4\ndirect\n0.635828 0.570563 0.259536 H\n0.635830 0.070568 0.759536 H\n0.092114 0.720396 0.266347 C\n0.092116 0.220401 0.766345 C\n0.179800 0.439912 0.234180 S\n0.179801 0.939916 0.734183 S\n0.601466 0.771887 0.184891 N\n0.601469 0.271891 0.684889 N\n0.804914 0.361010 0.779754 O\n0.804910 0.861003 0.279758 O\n0.294525 0.862029 0.276598 O\n0.294528 0.362035 0.776594 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9651310590337645,
"density_atomic": 0.07795196564665477,
"volume": 153.94095454108626,
"volume_molar": 7.725450808126522,
"formula_full": "H2 C2 S2 N2 O4",
"formula_reduced": "HCSNO2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.797373375,
"spacegroup": 1
},
{
"id": "jvasp-35124",
"created_at": "2022-09-04T14:37:30.423328Z",
"updated_at": "2022-09-04T14:37:30.423347Z",
"structure_string": "Ba1 Na2 Mg1 P2 O8\n1.0\n2.679885 -4.641698 -0.000000\n2.679885 4.641698 -0.000000\n-0.000000 0.000000 6.980119\nBa Na Mg P O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666668 0.333334 0.178658 Na\n0.333334 0.666668 0.821342 Na\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.740879 P\n0.333334 0.666668 0.259121 P\n0.666668 0.333334 0.520542 O\n0.333334 0.666668 0.479458 O\n0.645929 0.822966 0.179568 O\n0.177036 0.354073 0.179568 O\n0.177037 0.822965 0.179568 O\n0.354073 0.177036 0.820432 O\n0.822966 0.645929 0.820432 O\n0.822965 0.177037 0.820432 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Mg",
"P",
"O"
],
"chemical_system": "Ba-Mg-Na-O-P",
"density": 3.8015407546519118,
"density_atomic": 0.08061988505879869,
"volume": 173.65442768603984,
"volume_molar": 7.469795765161236,
"formula_full": "Ba1 Na2 Mg1 P2 O8",
"formula_reduced": "BaNa2Mg(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.810643001428572,
"spacegroup": 164
}
]
}