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=25",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=23",
"results": [
{
"id": "jvasp-46759",
"created_at": "2022-09-04T14:38:03.973032Z",
"updated_at": "2022-09-04T14:38:03.973057Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n0.000000 4.930511 0.132088\n6.304631 0.000000 0.000000\n0.000000 -0.575871 -8.505153\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.210838 0.750000 0.106568 Li\n0.736886 0.991805 0.259697 Li\n0.736886 0.508195 0.259697 Li\n0.263114 0.491805 0.740303 Li\n0.263114 0.008195 0.740303 Li\n0.789162 0.250000 0.893431 Li\n0.225886 0.250000 0.351970 Zn\n0.774114 0.750000 0.648029 Zn\n0.735260 0.250000 0.590252 P\n0.264739 0.750000 0.409747 P\n0.310599 0.250000 0.041603 C\n0.689401 0.750000 0.958397 C\n0.510210 0.750000 0.834278 O\n0.845614 0.059863 0.693349 O\n0.845614 0.440137 0.693349 O\n0.416879 0.250000 0.575975 O\n0.173140 0.750000 0.576770 O\n0.826860 0.250000 0.423229 O\n0.056702 0.250000 0.061634 O\n0.154386 0.559863 0.306651 O\n0.154386 0.940137 0.306651 O\n0.489790 0.250000 0.165721 O\n0.604455 0.750000 0.098545 O\n0.395545 0.250000 0.901454 O\n0.583121 0.750000 0.424024 O\n0.943298 0.750000 0.938365 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Zn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Zn",
"density": 3.035520868998735,
"density_atomic": 0.09852083783016287,
"volume": 263.9035616487613,
"volume_molar": 6.112555366592995,
"formula_full": "Li6 Zn2 P2 C2 O14",
"formula_reduced": "Li3ZnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.3310608,
"spacegroup": 11
},
{
"id": "jvasp-88328",
"created_at": "2022-09-04T14:35:57.024266Z",
"updated_at": "2022-09-04T14:35:57.024287Z",
"structure_string": "H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7921234926777323,
"density_atomic": 0.0998192182248609,
"volume": 400.72443675017314,
"volume_molar": 6.033047410203149,
"formula_full": "H16 C4 S4 N8 O8",
"formula_reduced": "H4CS(NO)2",
"formula_anonymous": "ABC2D2E4",
"energy_above_hull": 3.94656235,
"spacegroup": 62
},
{
"id": "jvasp-99062",
"created_at": "2022-09-04T14:35:56.695854Z",
"updated_at": "2022-09-04T14:35:56.695882Z",
"structure_string": "Cu6 Bi2 Se4 Cl2 O16\n1.0\n6.390520 0.000000 0.000000\n-0.000000 7.214070 0.000000\n0.000000 0.000000 9.728592\nCu Bi Se Cl O\n6 2 4 2 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.750000 0.207424 0.750000 Cu\n0.250000 0.792576 0.250000 Cu\n0.750000 0.745169 0.750000 Bi\n0.250000 0.254831 0.250000 Bi\n0.250000 0.601184 0.941925 Se\n0.750000 0.398816 0.058075 Se\n0.750000 0.398816 0.441925 Se\n0.250000 0.601184 0.558075 Se\n0.750000 0.844259 0.250000 Cl\n0.250000 0.155741 0.750000 Cl\n0.038948 0.750124 0.583913 O\n0.250000 0.583611 0.118048 O\n0.750000 0.416389 0.881952 O\n0.961052 0.249876 0.083913 O\n0.461052 0.750124 0.916087 O\n0.538948 0.249876 0.416087 O\n0.038948 0.750124 0.916087 O\n0.750000 0.009501 0.886965 O\n0.461052 0.750124 0.583913 O\n0.961052 0.249876 0.416087 O\n0.250000 0.990499 0.386965 O\n0.750000 0.009501 0.613034 O\n0.250000 0.990499 0.113034 O\n0.750000 0.416389 0.618048 O\n0.538948 0.249876 0.083913 O\n0.250000 0.583611 0.381952 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Cu",
"Bi",
"Se",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-Cu-O-Se",
"density": 5.338751981284012,
"density_atomic": 0.06688900166479891,
"volume": 448.50422720224026,
"volume_molar": 9.00318529222304,
"formula_full": "Cu6 Bi2 Se4 Cl2 O16",
"formula_reduced": "Cu3BiSe2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 1.7461709633888889,
"spacegroup": 59
},
{
"id": "jvasp-46796",
"created_at": "2022-09-04T14:38:04.293644Z",
"updated_at": "2022-09-04T14:38:04.293663Z",
"structure_string": "Li6 Cr2 P2 C2 O14\n1.0\n0.000000 4.944552 0.122823\n6.435871 0.000000 0.000000\n0.000000 -0.960971 -8.526783\nLi Cr P C O\n6 2 2 2 14\ndirect\n0.831180 0.109224 0.929087 Li\n0.262675 0.530968 0.689400 Li\n0.776683 0.767990 0.619872 Li\n0.223317 0.267990 0.380128 Li\n0.737325 0.030968 0.310600 Li\n0.168820 0.609224 0.070913 Li\n0.262393 0.987221 0.738602 Cr\n0.737607 0.487221 0.261398 Cr\n0.245092 0.796662 0.389286 P\n0.754908 0.296662 0.610714 P\n0.664656 0.724817 0.947893 C\n0.335344 0.224817 0.052107 C\n0.493553 0.242839 0.186725 O\n0.133383 0.594128 0.300356 O\n0.118721 0.987018 0.303112 O\n0.838291 0.287310 0.440972 O\n0.562057 0.794283 0.403859 O\n0.437943 0.294283 0.596141 O\n0.903786 0.802806 0.968473 O\n0.881279 0.487018 0.696888 O\n0.866617 0.094128 0.699644 O\n0.506447 0.742839 0.813275 O\n0.433872 0.124733 0.940430 O\n0.566128 0.624733 0.059570 O\n0.161709 0.787310 0.559028 O\n0.096214 0.302806 0.031527 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O-P",
"density": 2.7959513589138454,
"density_atomic": 0.09608848878823696,
"volume": 270.5839203830094,
"volume_molar": 6.267286368996598,
"formula_full": "Li6 Cr2 P2 C2 O14",
"formula_reduced": "Li3CrPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.935610569230769,
"spacegroup": 4
},
{
"id": "jvasp-45228",
"created_at": "2022-09-04T14:38:04.749053Z",
"updated_at": "2022-09-04T14:38:04.749085Z",
"structure_string": "Na6 Fe2 P2 C2 O14\n1.0\n0.000000 5.274307 -0.008791\n6.590338 0.000000 0.000000\n0.000000 -0.072664 -8.908998\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.999623 0.514201 0.998992 Na\n0.561190 0.765928 0.838043 Na\n0.500785 0.512277 0.501155 Na\n0.499216 0.012277 0.498845 Na\n0.438811 0.265928 0.161957 Na\n0.000378 0.014200 0.001008 Na\n0.970908 0.262407 0.703443 Fe\n0.029093 0.762407 0.296557 Fe\n0.984055 0.263433 0.343839 P\n0.015947 0.763434 0.656162 P\n0.502371 0.263000 0.845329 C\n0.497631 0.763000 0.154671 C\n0.075980 0.450542 0.251772 O\n0.078992 0.075755 0.253681 O\n0.437550 0.760982 0.294640 O\n0.695639 0.262528 0.362617 O\n0.121631 0.266294 0.500071 O\n0.878370 0.766294 0.499929 O\n0.679249 0.263664 0.947999 O\n0.562451 0.260982 0.705360 O\n0.921009 0.575755 0.746319 O\n0.924022 0.950542 0.748228 O\n0.264407 0.264392 0.885885 O\n0.735594 0.764392 0.114115 O\n0.304362 0.762529 0.637383 O\n0.320753 0.763664 0.052001 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 3.000616653965526,
"density_atomic": 0.08395865808127094,
"volume": 309.67622153789455,
"volume_molar": 7.1727453697159405,
"formula_full": "Na6 Fe2 P2 C2 O14",
"formula_reduced": "Na3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.4214948076923086,
"spacegroup": 11
},
{
"id": "jvasp-44763",
"created_at": "2022-09-04T14:38:04.785382Z",
"updated_at": "2022-09-04T14:38:04.785406Z",
"structure_string": "Li4 Mn3 Fe1 P4 O16\n1.0\n0.000000 4.733451 0.000152\n6.080743 0.000000 0.000000\n0.000000 -0.011694 -10.418954\nLi Mn Fe P O\n4 3 1 4 16\ndirect\n0.002613 0.249177 0.002352 Li\n0.002613 0.750822 0.002352 Li\n0.498138 0.750849 0.498570 Li\n0.498138 0.249151 0.498570 Li\n0.971081 0.500000 0.718753 Mn\n0.528322 0.500000 0.219152 Mn\n0.474530 0.000000 0.781251 Mn\n0.032142 0.000000 0.281552 Fe\n0.080734 0.500000 0.407704 P\n0.413165 0.500000 0.908903 P\n0.591002 0.000000 0.094225 P\n0.913495 0.000000 0.589077 P\n0.211523 0.703705 0.336458 O\n0.237417 0.000000 0.592386 O\n0.266688 0.000000 0.097016 O\n0.279610 0.297003 0.838693 O\n0.279610 0.702996 0.838693 O\n0.287518 0.500000 0.046672 O\n0.714092 0.000000 0.955823 O\n0.779354 0.202601 0.659513 O\n0.726849 0.202804 0.163778 O\n0.736991 0.500000 0.906392 O\n0.756860 0.500000 0.406938 O\n0.779354 0.797398 0.659513 O\n0.211523 0.296295 0.336458 O\n0.788237 0.000000 0.451013 O\n0.726849 0.797196 0.163778 O\n0.211554 0.500000 0.544412 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P",
"density": 3.4790722727086094,
"density_atomic": 0.09336828724106933,
"volume": 299.88769021441163,
"volume_molar": 6.449878152365934,
"formula_full": "Li4 Mn3 Fe1 P4 O16",
"formula_reduced": "Li4Mn3Fe(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 3.1031023294334976,
"spacegroup": 6
},
{
"id": "jvasp-45963",
"created_at": "2022-09-04T14:38:04.932949Z",
"updated_at": "2022-09-04T14:38:04.932972Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n0.000000 5.030571 -0.055922\n6.214715 0.000000 0.000000\n0.000000 -0.583514 -8.499137\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.776090 0.466363 0.179960 Li\n0.223911 0.966363 0.820040 Li\n0.213885 0.252500 0.337633 Ge\n0.786116 0.752500 0.662367 Ge\n0.271439 0.757555 0.428555 P\n0.728562 0.257555 0.571445 P\n0.286101 0.249928 0.062911 C\n0.713900 0.749927 0.937089 C\n0.524024 0.767223 0.819815 O\n0.796710 0.452496 0.675538 O\n0.811544 0.061120 0.671620 O\n0.127776 0.764766 0.584451 O\n0.423367 0.250687 0.525788 O\n0.576633 0.750686 0.474213 O\n0.475976 0.267223 0.180185 O\n0.188456 0.561120 0.328381 O\n0.203290 0.952496 0.324462 O\n0.952014 0.757770 0.876111 O\n0.047987 0.257770 0.123889 O\n0.670925 0.721739 0.076154 O\n0.872224 0.264766 0.415550 O\n0.329076 0.221740 0.923847 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Ge",
"P",
"C",
"O"
],
"chemical_system": "C-Ge-Li-O-P",
"density": 2.9294812525422396,
"density_atomic": 0.08273285683872127,
"volume": 265.9161165301787,
"volume_molar": 7.279019473169541,
"formula_full": "Li2 Ge2 P2 C2 O14",
"formula_reduced": "LiGePCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.841468722727272,
"spacegroup": 4
},
{
"id": "jvasp-35241",
"created_at": "2022-09-04T14:38:05.159633Z",
"updated_at": "2022-09-04T14:38:05.159655Z",
"structure_string": "Sr2 Cu1 C1 N2 O2\n1.0\n3.825920 -0.000000 0.000000\n0.000000 3.825920 -0.000000\n0.000000 0.000000 8.122920\nSr Cu C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.712910 Sr\n0.500000 0.500000 0.287090 Sr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.847001 N\n0.000000 0.000000 0.152999 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 8,
"nelements": 5,
"elements": [
"Sr",
"Cu",
"C",
"N",
"O"
],
"chemical_system": "C-Cu-N-O-Sr",
"density": 4.3406882761849435,
"density_atomic": 0.06728310753907239,
"volume": 118.9005724111995,
"volume_molar": 8.9504497938102,
"formula_full": "Sr2 Cu1 C1 N2 O2",
"formula_reduced": "Sr2CuC(NO)2",
"formula_anonymous": "ABC2D2E2",
"energy_above_hull": 2.67722082125,
"spacegroup": 123
},
{
"id": "jvasp-8203",
"created_at": "2022-09-04T14:38:10.328735Z",
"updated_at": "2022-09-04T14:38:10.328762Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933326 -0.000000 -0.867737\n-0.191433 3.928664 -0.867737\n-0.004211 -0.004420 9.329369\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592247 0.592245 0.184491 Sr\n0.407755 0.407754 0.815509 Sr\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.827658 0.827656 0.655313 S\n0.172344 0.172343 0.344686 S\n0.500001 -0.000000 -0.000000 O\n0.000000 0.499999 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Zn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr-Zn",
"density": 5.344154546292808,
"density_atomic": 0.06244193055655265,
"volume": 144.1339164209352,
"volume_molar": 9.64438592196608,
"formula_full": "Sr2 Zn1 Cu2 S2 O2",
"formula_reduced": "Sr2ZnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 0.4852578799999998,
"spacegroup": 139
},
{
"id": "jvasp-85920",
"created_at": "2022-09-04T14:36:19.430202Z",
"updated_at": "2022-09-04T14:36:19.430230Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769772 -0.000000 -0.000000\n0.000000 5.769772 -0.000000\n0.000000 0.000000 8.303905\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757842 Na\n0.750000 0.750000 0.242159 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255824 Nb\n0.750000 0.750000 0.744176 Nb\n0.981976 0.518023 0.671544 O\n0.518023 0.981976 0.671544 O\n0.250000 0.250000 0.030513 O\n0.481976 0.481976 0.328457 O\n0.981976 0.981976 0.671544 O\n0.750000 0.750000 0.969487 O\n0.518023 0.518023 0.671544 O\n0.018024 0.018024 0.328457 O\n0.481976 0.018024 0.328457 O\n0.018024 0.481976 0.328457 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Na",
"Nd",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-Nd-O",
"density": 4.556024529824503,
"density_atomic": 0.06511376825427656,
"volume": 276.4392306356466,
"volume_molar": 9.248644213744267,
"formula_full": "K2 Na2 Nd2 Nb2 O10",
"formula_reduced": "KNaNdNbO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.9927872666666668,
"spacegroup": 129
},
{
"id": "jvasp-11388",
"created_at": "2022-09-04T14:38:10.339469Z",
"updated_at": "2022-09-04T14:38:10.339488Z",
"structure_string": "Ba4 Li1 Cu1 C2 O10\n1.0\n5.465344 -0.000000 -1.931802\n-0.682823 5.422521 -1.931802\n0.005554 0.006297 8.712732\nBa Li Cu C O\n4 1 1 2 10\ndirect\n0.618363 0.118363 0.236727 Ba\n0.381636 0.881637 0.763273 Ba\n0.118363 0.618363 0.236727 Ba\n0.881636 0.381637 0.763273 Ba\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cu\n0.727111 0.727111 0.454222 C\n0.272888 0.272889 0.545778 C\n0.629103 0.629104 0.535084 O\n0.094019 0.370896 0.464916 O\n0.905980 0.905980 0.535084 O\n0.370895 0.094020 0.464916 O\n0.230804 0.230804 0.003620 O\n0.772815 0.772815 0.003621 O\n0.227184 0.769196 0.996380 O\n0.641829 0.641830 0.283659 O\n0.358170 0.358171 0.716341 O\n0.769195 0.227185 0.996380 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Cu",
"C",
"O"
],
"chemical_system": "Ba-C-Cu-Li-O",
"density": 5.166614146705236,
"density_atomic": 0.0696748135862306,
"volume": 258.3429947426114,
"volume_molar": 8.64321043722192,
"formula_full": "Ba4 Li1 Cu1 C2 O10",
"formula_reduced": "Ba4LiCu(CO5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 2.349689962777778,
"spacegroup": 121
},
{
"id": "jvasp-12698",
"created_at": "2022-09-04T14:38:10.675141Z",
"updated_at": "2022-09-04T14:38:10.675162Z",
"structure_string": "Ca2 Mn1 P2 H4 O10\n1.0\n5.539257 0.002776 -0.012297\n-1.870724 5.473976 0.002277\n-1.440320 -0.503689 6.404792\nCa Mn P H O\n2 1 2 4 10\ndirect\n0.331552 0.600754 0.233166 Ca\n0.668450 0.399248 0.766834 Ca\n0.000000 0.000000 0.000000 Mn\n0.351278 0.753173 0.766556 P\n0.648723 0.246828 0.233444 P\n0.808950 0.065918 0.562961 H\n0.191052 0.934084 0.437039 H\n0.084395 0.280503 0.658056 H\n0.915607 0.719498 0.341944 H\n0.697521 0.459298 0.400523 O\n0.383940 0.998244 0.669684 O\n0.616062 0.001757 0.330316 O\n0.121010 0.692058 0.881016 O\n0.932925 0.154516 0.698770 O\n0.604104 0.754605 0.931522 O\n0.395898 0.245396 0.068478 O\n0.302480 0.540703 0.599477 O\n0.878991 0.307943 0.118984 O\n0.067077 0.845485 0.301230 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "Ca-H-Mn-O-P",
"density": 3.088389317251133,
"density_atomic": 0.09786972133811776,
"volume": 194.1356298988458,
"volume_molar": 6.153221525169021,
"formula_full": "Ca2 Mn1 P2 H4 O10",
"formula_reduced": "Ca2MnP2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.785262320072595,
"spacegroup": 2
}
]
}