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=327",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=325",
"results": [
{
"id": "jvasp-98450",
"created_at": "2022-09-04T14:37:51.913112Z",
"updated_at": "2022-09-04T14:37:51.913139Z",
"structure_string": "K4 Ca6 Si6 O20\n1.0\n-4.581065 -5.301520 2.461599\n-4.581065 5.301520 2.461599\n0.028270 0.000000 -9.868922\nK Ca Si O\n4 6 6 20\ndirect\n0.230500 0.478869 0.988846 K\n0.521132 0.769501 0.511154 K\n0.769501 0.521132 0.011154 K\n0.478869 0.230500 0.488846 K\n0.368403 0.631598 0.750000 Ca\n0.631598 0.368403 0.250000 Ca\n0.227479 0.990639 0.985664 Ca\n0.009362 0.772522 0.514336 Ca\n0.772522 0.009362 0.014336 Ca\n0.990639 0.227479 0.485664 Ca\n0.840335 0.159666 0.750000 Si\n0.159666 0.840335 0.250000 Si\n0.853296 0.582287 0.710588 Si\n0.417714 0.146705 0.789412 Si\n0.146705 0.417714 0.289412 Si\n0.582287 0.853296 0.210588 Si\n0.026222 0.857029 0.090125 O\n0.142972 0.973779 0.409876 O\n0.699234 0.070035 0.277481 O\n0.929966 0.300767 0.222519 O\n0.300767 0.929966 0.722519 O\n0.070035 0.699234 0.777481 O\n0.785994 0.499391 0.520099 O\n0.500610 0.214007 0.979901 O\n0.214007 0.500610 0.479901 O\n0.309510 0.309631 0.728991 O\n0.612777 0.122149 0.737420 O\n0.877853 0.387224 0.762581 O\n0.387224 0.877853 0.262581 O\n0.122149 0.612777 0.237420 O\n0.690491 0.690370 0.271009 O\n0.309631 0.309510 0.228991 O\n0.857029 0.026222 0.590125 O\n0.690370 0.690491 0.771009 O\n0.499391 0.785994 0.020099 O\n0.973779 0.142972 0.909875 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-O-Si",
"density": 3.071655476611446,
"density_atomic": 0.07521508140959421,
"volume": 478.62741521154487,
"volume_molar": 8.006560183330246,
"formula_full": "K4 Ca6 Si6 O20",
"formula_reduced": "K2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9499671144444444,
"spacegroup": 15
},
{
"id": "jvasp-29609",
"created_at": "2022-09-04T14:38:03.178355Z",
"updated_at": "2022-09-04T14:38:03.178374Z",
"structure_string": "Hg6 As2 Se8 I2\n1.0\n7.865318 -0.000000 0.000000\n-3.932659 6.811565 0.000000\n0.000000 -0.000000 9.991272\nHg As Se I\n6 2 8 2\ndirect\n0.496737 0.993475 0.242917 Hg\n0.503264 0.006526 0.742917 Hg\n0.006526 0.503264 0.242917 Hg\n0.993474 0.496737 0.742917 Hg\n0.496737 0.503264 0.242917 Hg\n0.503264 0.496737 0.742917 Hg\n0.000000 0.000000 0.231451 As\n0.000000 0.000000 0.731451 As\n0.698866 0.849434 0.866563 Se\n0.666667 0.333333 0.603023 Se\n0.150567 0.849434 0.866563 Se\n0.333333 0.666667 0.103023 Se\n0.301134 0.150567 0.366563 Se\n0.849434 0.150567 0.366563 Se\n0.849434 0.698866 0.366563 Se\n0.150567 0.301134 0.866563 Se\n0.333333 0.666667 0.521705 I\n0.666667 0.333333 0.021705 I\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hg",
"As",
"Se",
"I"
],
"chemical_system": "As-Hg-I-Se",
"density": 6.945354473130187,
"density_atomic": 0.03362703155684967,
"volume": 535.2836443374224,
"volume_molar": 17.908630292920748,
"formula_full": "Hg6 As2 Se8 I2",
"formula_reduced": "Hg3AsSe4I",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.3195939212962961,
"spacegroup": 186
},
{
"id": "jvasp-45237",
"created_at": "2022-09-04T14:38:01.415540Z",
"updated_at": "2022-09-04T14:38:01.415570Z",
"structure_string": "Li1 Ti1 V3 O10\n1.0\n6.596422 0.045765 0.121048\n0.045765 6.596422 -0.121048\n0.083620 -0.083620 4.516637\nLi Ti V O\n1 1 3 10\ndirect\n0.499252 0.999251 -0.000000 Li\n0.751373 0.251373 0.500001 Ti\n0.250319 0.750319 0.500000 V\n0.252408 0.250217 0.624384 V\n0.750218 0.752408 0.375617 V\n0.031627 0.759046 0.300540 O\n0.273772 0.224040 0.265135 O\n0.259047 0.531627 0.699460 O\n0.260324 0.959955 0.739122 O\n0.459956 0.760324 0.260878 O\n0.524215 0.235999 0.742585 O\n0.735998 0.024216 0.257417 O\n0.743701 0.483757 0.286932 O\n0.724039 0.773772 0.734866 O\n0.983757 0.243701 0.713069 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.1084366219825124,
"density_atomic": 0.07637959812848083,
"volume": 196.38752189777128,
"volume_molar": 7.884488669173074,
"formula_full": "Li1 Ti1 V3 O10",
"formula_reduced": "LiTiV3O10",
"formula_anonymous": "ABC3D10",
"energy_above_hull": 3.283688395555556,
"spacegroup": 5
},
{
"id": "jvasp-40102",
"created_at": "2022-09-04T14:37:57.647719Z",
"updated_at": "2022-09-04T14:37:57.647749Z",
"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n5.940082 -3.207289 0.300823\n5.940082 3.207289 0.300823\n-1.988339 0.000000 6.499869\nYb Mo Cl O\n2 2 2 8\ndirect\n0.287867 0.287867 0.153931 Yb\n0.712132 0.712132 0.846069 Yb\n0.631990 0.631990 0.259269 Mo\n0.368009 0.368009 0.740731 Mo\n0.978260 0.978260 0.347669 Cl\n0.021739 0.021739 0.652332 Cl\n0.886812 0.457346 0.120590 O\n0.457346 0.886812 0.120590 O\n0.482610 0.482610 0.245710 O\n0.288757 0.288757 0.486089 O\n0.711241 0.711241 0.513912 O\n0.517389 0.517389 0.754289 O\n0.542653 0.113187 0.879408 O\n0.113187 0.542653 0.879408 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Yb",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Yb",
"density": 4.865115916702338,
"density_atomic": 0.0556655419282654,
"volume": 251.50208755788998,
"volume_molar": 10.818435519338987,
"formula_full": "Yb2 Mo2 Cl2 O8",
"formula_reduced": "YbMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.097136381071429,
"spacegroup": 12
},
{
"id": "jvasp-44986",
"created_at": "2022-09-04T14:38:03.756228Z",
"updated_at": "2022-09-04T14:38:03.756253Z",
"structure_string": "Li1 V1 B1 O4\n1.0\n0.000000 4.546624 0.000000\n2.273313 -2.273313 3.595372\n4.546624 -0.000000 -0.000000\nLi V B O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.749999 0.500000 0.749999 B\n0.425548 0.265777 0.036810 O\n0.697413 0.734223 0.425547 O\n0.840228 0.265777 0.697413 O\n0.036810 0.734223 0.840228 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.9646196287837383,
"density_atomic": 0.09418378246464948,
"volume": 74.32277422737135,
"volume_molar": 6.394031543870436,
"formula_full": "Li1 V1 B1 O4",
"formula_reduced": "LiVBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7751586833333333,
"spacegroup": 82
},
{
"id": "jvasp-33364",
"created_at": "2022-09-04T14:37:57.624552Z",
"updated_at": "2022-09-04T14:37:57.624572Z",
"structure_string": "H14 S2 N4 O8\n1.0\n5.437647 -0.019383 1.517336\n1.885072 5.040786 1.622585\n0.042706 -0.038338 8.367961\nH S N O\n14 2 4 8\ndirect\n0.799069 0.802247 0.964950 H\n0.075751 0.219730 0.505210 H\n0.182518 0.870145 0.364340 H\n0.817483 0.129856 0.635661 H\n0.183270 0.760723 0.579749 H\n0.816731 0.239278 0.420252 H\n0.232494 0.400093 0.846271 H\n0.924249 0.780271 0.494790 H\n0.340205 0.068970 0.858136 H\n0.659796 0.931031 0.141865 H\n0.007976 0.249233 0.889863 H\n0.992024 0.750767 0.110137 H\n0.200931 0.197754 0.035051 H\n0.767507 0.599908 0.153730 H\n0.588038 0.631051 0.722154 S\n0.411963 0.368950 0.277847 S\n0.192158 0.226277 0.908204 N\n0.807843 0.773724 0.091797 N\n0.066280 0.867298 0.485033 N\n0.933720 0.132703 0.514967 N\n0.656086 0.813905 0.785019 O\n0.683248 0.660952 0.535481 O\n0.316752 0.339049 0.464520 O\n0.706679 0.352630 0.808582 O\n0.293322 0.647371 0.191418 O\n0.295422 0.703376 0.757786 O\n0.704578 0.296625 0.242214 O\n0.343914 0.186095 0.214981 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 1.8969980904222215,
"density_atomic": 0.12196593174802287,
"volume": 229.5723043205784,
"volume_molar": 4.93755975434314,
"formula_full": "H14 S2 N4 O8",
"formula_reduced": "H7S(NO2)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 3.460808607142857,
"spacegroup": 2
},
{
"id": "jvasp-108603",
"created_at": "2022-09-04T14:38:03.167260Z",
"updated_at": "2022-09-04T14:38:03.167286Z",
"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n6.689749 -0.000000 3.862328\n2.229916 6.307155 3.862328\n-0.000000 -0.000000 7.724656\nRb Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757235 0.242765 0.242765 Br\n0.242765 0.242765 0.757235 Br\n0.242765 0.757235 0.757235 Br\n0.242765 0.757235 0.242765 Br\n0.757235 0.242765 0.757235 Br\n0.757235 0.757235 0.242765 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Au",
"Br"
],
"chemical_system": "Au-Br-Na-Rb",
"density": 4.434080351464807,
"density_atomic": 0.030681566144441185,
"volume": 325.9286032832381,
"volume_molar": 19.627879266818578,
"formula_full": "Rb2 Na1 Au1 Br6",
"formula_reduced": "Rb2NaAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-47126",
"created_at": "2022-09-04T14:38:03.503004Z",
"updated_at": "2022-09-04T14:38:03.503027Z",
"structure_string": "Li2 Cr2 Si2 O8\n1.0\n-4.059549 4.022002 0.117923\n4.059549 0.117923 4.022002\n-0.000000 3.904079 -3.904079\nLi Cr Si O\n2 2 2 8\ndirect\n0.995937 0.004061 0.004062 Li\n0.254061 0.745937 0.245938 Li\n0.624999 0.874999 0.625000 Cr\n0.125000 0.375000 0.625000 Cr\n0.624999 0.374999 0.625000 Si\n0.624999 0.374999 0.125000 Si\n0.844390 0.155610 0.893175 O\n0.844390 0.155610 0.418045 O\n0.420388 0.161781 0.870698 O\n0.838217 0.579611 0.870698 O\n0.411781 0.170388 0.379303 O\n0.829611 0.588217 0.379303 O\n0.405609 0.594390 0.356825 O\n0.405609 0.594390 0.831955 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.822040459981001,
"density_atomic": 0.10668642972173532,
"volume": 131.2256866830718,
"volume_molar": 5.644711118093685,
"formula_full": "Li2 Cr2 Si2 O8",
"formula_reduced": "LiCrSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6198114285714293,
"spacegroup": 74
},
{
"id": "jvasp-57368",
"created_at": "2022-09-04T14:37:44.668906Z",
"updated_at": "2022-09-04T14:37:44.668922Z",
"structure_string": "Rb2 V2 I4 O16\n1.0\n5.280945 -0.019132 0.017521\n-0.213204 7.983138 0.148368\n-0.158454 -3.077539 9.135620\nRb V I O\n2 2 4 16\ndirect\n0.265599 0.807130 0.081041 Rb\n0.734403 0.192870 0.918959 Rb\n0.764538 0.637302 0.302252 V\n0.235465 0.362698 0.697749 V\n0.682620 0.145820 0.438784 I\n0.742899 0.630691 0.767929 I\n0.257103 0.369310 0.232071 I\n0.317382 0.854180 0.561216 I\n0.921956 0.652501 0.456770 O\n0.996125 0.502824 0.830006 O\n0.485795 0.522888 0.845168 O\n0.803879 0.827634 0.267399 O\n0.570132 0.329877 0.599124 O\n0.781539 0.827342 0.919059 O\n0.630873 0.963561 0.614165 O\n0.218463 0.172658 0.080942 O\n0.429870 0.670123 0.400876 O\n0.514207 0.477113 0.154832 O\n0.680879 0.263293 0.300949 O\n0.078046 0.347499 0.543230 O\n0.369129 0.036440 0.385835 O\n0.319123 0.736708 0.699052 O\n0.003877 0.497176 0.169994 O\n0.196123 0.172367 0.732601 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"V",
"I",
"O"
],
"chemical_system": "I-O-Rb-V",
"density": 4.440761244091991,
"density_atomic": 0.06192712246764528,
"volume": 387.5523202703169,
"volume_molar": 9.724560935551875,
"formula_full": "Rb2 V2 I4 O16",
"formula_reduced": "RbV(IO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.138520395833334,
"spacegroup": 2
},
{
"id": "jvasp-40680",
"created_at": "2022-09-04T14:38:03.128680Z",
"updated_at": "2022-09-04T14:38:03.128698Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n5.708972 0.026613 -0.007556\n-0.026781 5.708552 -0.004276\n-2.835795 -2.864756 4.042966\nLi Mn Co O\n4 1 3 8\ndirect\n0.499999 0.499999 -0.000001 Li\n0.499999 0.499999 0.499999 Li\n-0.000000 0.500000 -0.000001 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000001 Co\n0.499999 -0.000001 0.500000 Co\n-0.000000 -0.000000 0.500000 Co\n0.759772 0.778595 0.018838 O\n0.759766 0.778583 0.519544 O\n0.740862 0.222576 0.481712 O\n0.259063 0.778595 0.018841 O\n0.740936 0.221403 0.981158 O\n0.259136 0.777422 0.518287 O\n0.240232 0.221415 0.480455 O\n0.240227 0.221403 0.981161 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.890561996781346,
"density_atomic": 0.12160781908972745,
"volume": 131.57048715917284,
"volume_molar": 4.952099959589446,
"formula_full": "Li4 Mn1 Co3 O8",
"formula_reduced": "Li4MnCo3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.710297996336207,
"spacegroup": 166
},
{
"id": "jvasp-56863",
"created_at": "2022-09-04T14:37:57.582866Z",
"updated_at": "2022-09-04T14:37:57.582874Z",
"structure_string": "Ba4 Li6 Nb2 N8\n1.0\n5.681033 -0.000104 0.000035\n2.840398 5.648501 0.007530\n2.840503 0.322490 9.740222\nBa Li Nb N\n4 6 2 8\ndirect\n0.631607 0.193056 0.611458 Ba\n0.063875 0.693051 0.111458 Ba\n0.368392 0.806945 0.388542 Ba\n0.936123 0.306950 0.888542 Ba\n0.387515 0.249992 0.249991 Li\n0.529412 0.811419 0.043334 Li\n0.884176 0.688575 0.456666 Li\n0.470587 0.188581 0.956666 Li\n0.115823 0.311425 0.543334 Li\n0.612483 0.750009 0.750010 Li\n0.865413 0.249996 0.250001 Nb\n0.134586 0.750004 0.750000 Nb\n0.738157 0.005562 0.338682 N\n0.785900 0.889375 0.887549 N\n0.937159 0.389378 0.387554 N\n0.582416 0.494423 0.161318 N\n0.214099 0.110626 0.112452 N\n0.261842 0.994439 0.661318 N\n0.417582 0.505577 0.838683 N\n0.062840 0.610623 0.612446 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Nb",
"N"
],
"chemical_system": "Ba-Li-N-Nb",
"density": 4.7222570564584565,
"density_atomic": 0.0639906509538636,
"volume": 312.5456563087588,
"volume_molar": 9.410969681089638,
"formula_full": "Ba4 Li6 Nb2 N8",
"formula_reduced": "Ba2Li3NbN4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.223200434,
"spacegroup": 15
},
{
"id": "jvasp-22892",
"created_at": "2022-09-04T14:37:57.499568Z",
"updated_at": "2022-09-04T14:37:57.499590Z",
"structure_string": "K8 Na12 Tl4 O16\n1.0\n7.750484 0.000000 0.000000\n0.000000 9.265324 -0.000000\n0.000000 -0.000000 9.583554\nK Na Tl O\n8 12 4 16\ndirect\n0.246509 0.500000 0.000000 K\n0.253490 0.000000 0.500000 K\n0.753490 0.500000 0.000000 K\n0.746509 0.000000 0.500000 K\n0.500000 0.261924 0.749751 K\n0.500000 0.738076 0.250249 K\n0.000000 0.761923 0.750249 K\n0.000000 0.238076 0.249751 K\n0.748940 0.516163 0.652130 Na\n0.748940 0.483836 0.347869 Na\n0.751059 0.983836 0.152130 Na\n0.500000 0.258751 0.414555 Na\n0.500000 0.741248 0.585444 Na\n0.751059 0.016164 0.847869 Na\n0.000000 0.241249 0.914555 Na\n0.248940 0.983836 0.152130 Na\n0.248940 0.016164 0.847869 Na\n0.251060 0.483836 0.347869 Na\n0.251060 0.516163 0.652130 Na\n0.000000 0.758751 0.085444 Na\n0.500000 0.772986 0.880930 Tl\n0.500000 0.227014 0.119070 Tl\n0.000000 0.727014 0.380930 Tl\n0.000000 0.272986 0.619070 Tl\n0.747113 0.198400 0.014865 O\n0.500000 0.441872 0.221618 O\n0.752886 0.301600 0.514864 O\n0.000000 0.058128 0.721618 O\n0.752886 0.698400 0.485135 O\n0.747113 0.801599 0.985135 O\n0.247114 0.698400 0.485135 O\n0.000000 0.545302 0.221390 O\n0.252886 0.198400 0.014865 O\n0.252886 0.801599 0.985135 O\n0.000000 0.454698 0.778610 O\n0.500000 0.954698 0.721389 O\n0.500000 0.045302 0.278610 O\n0.500000 0.558128 0.778382 O\n0.247114 0.301600 0.514864 O\n0.000000 0.941872 0.278382 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Na",
"Tl",
"O"
],
"chemical_system": "K-Na-O-Tl",
"density": 4.01063380531259,
"density_atomic": 0.058122456640439586,
"volume": 688.2021564823086,
"volume_molar": 10.361125644180023,
"formula_full": "K8 Na12 Tl4 O16",
"formula_reduced": "K2Na3TlO4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.46549696,
"spacegroup": 58
}
]
}