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{
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"results": [
{
"id": "jvasp-38004",
"created_at": "2022-09-04T14:38:06.297332Z",
"updated_at": "2022-09-04T14:38:06.297347Z",
"structure_string": "Li6 P1 S5 Br1\n1.0\n5.092644 5.092644 -0.000000\n5.092644 -0.000000 -5.092644\n-0.000000 5.092644 -5.092644\nLi P S Br\n6 1 5 1\ndirect\n0.023282 0.476718 0.023282 Li\n0.476718 0.023282 0.476718 Li\n0.023282 0.476718 0.476718 Li\n0.476718 0.023282 0.023282 Li\n0.023282 0.023282 0.476718 Li\n0.476718 0.476718 0.023282 Li\n0.500000 0.500000 0.500000 P\n0.616754 0.616754 0.149735 S\n0.616754 0.149735 0.616754 S\n0.149735 0.616754 0.616754 S\n0.616754 0.616754 0.616754 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Br\n",
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],
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"density_atomic": 0.04921340368874698,
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"formula_full": "Li6 P1 S5 Br1",
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{
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"updated_at": "2022-09-04T14:38:05.496595Z",
"structure_string": "Li4 Fe2 Si2 O10\n1.0\n6.369909 0.000000 0.000000\n0.000000 6.369909 0.000000\n0.000000 -0.000000 4.403993\nLi Fe Si O\n4 2 2 10\ndirect\n0.250000 0.750000 0.000000 Li\n0.750000 0.750000 0.000000 Li\n0.750000 0.250000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.500000 0.000000 0.618027 Fe\n0.000000 0.500000 0.381972 Fe\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.705612 0.500000 0.274511 O\n0.294389 0.500000 0.274511 O\n0.500000 0.294389 0.725489 O\n0.000000 0.205611 0.274511 O\n0.000000 0.794389 0.274511 O\n0.794389 0.000000 0.725489 O\n0.500000 0.000000 0.223554 O\n0.000000 0.500000 0.776445 O\n0.205611 0.000000 0.725489 O\n0.500000 0.705612 0.725489 O\n",
"nsites": 18,
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"elements": [
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"Si",
"O"
],
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"density": 3.304615820599132,
"density_atomic": 0.10073013799950718,
"volume": 178.69527787292483,
"volume_molar": 5.978489536100371,
"formula_full": "Li4 Fe2 Si2 O10",
"formula_reduced": "Li2FeSiO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 129
},
{
"id": "jvasp-44355",
"created_at": "2022-09-04T14:38:06.344895Z",
"updated_at": "2022-09-04T14:38:06.344922Z",
"structure_string": "Li6 Mn2 Al4 O12\n1.0\n5.245438 0.006461 -0.023450\n-0.063217 -5.849733 -0.018561\n-1.383712 -0.017504 -7.642574\nLi Mn Al O\n6 2 4 12\ndirect\n0.164753 0.835406 0.082481 Li\n-0.002565 0.660380 0.756978 Li\n0.328914 0.654203 0.401113 Li\n0.671087 0.345796 0.598887 Li\n0.002565 0.339619 0.243022 Li\n0.835247 0.164593 0.917519 Li\n0.504860 0.829136 0.738988 Mn\n0.495140 0.170863 0.261011 Mn\n0.328485 0.332700 0.915239 Al\n0.159259 0.176193 0.582383 Al\n0.840741 0.823806 0.417617 Al\n0.671515 0.667299 0.084761 Al\n0.474665 0.170057 0.757607 O\n0.171152 0.860133 0.577592 O\n0.525335 0.829942 0.242392 O\n0.801330 0.822131 0.914391 O\n0.679475 0.680196 0.573675 O\n0.975458 0.677036 0.251463 O\n0.345720 0.647377 0.921256 O\n0.654280 0.352622 0.078743 O\n0.024542 0.322963 0.748536 O\n0.320525 0.319803 0.426325 O\n0.198670 0.177868 0.085608 O\n0.828848 0.139866 0.422407 O\n",
"nsites": 24,
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"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.194110796244719,
"density_atomic": 0.10226124574153787,
"volume": 234.69301421047868,
"volume_molar": 5.888976529017428,
"formula_full": "Li6 Mn2 Al4 O12",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.2387278201149425,
"spacegroup": 2
},
{
"id": "jvasp-10794",
"created_at": "2022-09-04T14:38:06.345668Z",
"updated_at": "2022-09-04T14:38:06.345689Z",
"structure_string": "K2 Sm2 Ge2 Se8\n1.0\n0.000000 6.837302 -0.002813\n7.038197 0.000000 0.000000\n0.000000 -2.751662 -8.439439\nK Sm Ge Se\n2 2 2 8\ndirect\n0.750553 0.707235 0.060823 K\n0.249447 0.207235 0.939177 K\n0.269192 0.204455 0.446576 Sm\n0.730808 0.704455 0.553424 Sm\n0.718987 0.237092 0.319629 Ge\n0.281013 0.737092 0.680371 Ge\n0.538307 0.980164 0.730009 Se\n0.461693 0.480164 0.269991 Se\n0.492365 0.460346 0.714887 Se\n0.921323 0.242691 0.148483 Se\n0.078677 0.742691 0.851516 Se\n0.066903 0.803908 0.417624 Se\n0.933097 0.303908 0.582376 Se\n0.507635 0.960346 0.285113 Se\n",
"nsites": 14,
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"elements": [
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"Se"
],
"chemical_system": "Ge-K-Se-Sm",
"density": 4.7254432930208266,
"density_atomic": 0.03446751888854312,
"volume": 406.17951194199685,
"volume_molar": 17.471929962448616,
"formula_full": "K2 Sm2 Ge2 Se8",
"formula_reduced": "KSmGeSe4",
"formula_anonymous": "ABCD4",
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"spacegroup": 4
},
{
"id": "jvasp-108966",
"created_at": "2022-09-04T14:38:17.839749Z",
"updated_at": "2022-09-04T14:38:17.839780Z",
"structure_string": "Li2 Mn1 Ni1 O4\n1.0\n2.835922 0.000000 0.000000\n-0.000000 4.731283 1.795904\n-0.000000 0.090723 5.127187\nLi Mn Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.499999 0.500000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.289576 0.256869 O\n0.500000 0.260000 0.726827 O\n0.000000 0.710423 0.743131 O\n0.500000 0.739999 0.273174 O\n",
"nsites": 8,
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"elements": [
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"Ni",
"O"
],
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"density": 4.653903065017437,
"density_atomic": 0.11707506207014133,
"volume": 68.33222941369945,
"volume_molar": 5.14382879967388,
"formula_full": "Li2 Mn1 Ni1 O4",
"formula_reduced": "Li2MnNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.149309205172414,
"spacegroup": 10
},
{
"id": "jvasp-47433",
"created_at": "2022-09-04T14:38:05.504659Z",
"updated_at": "2022-09-04T14:38:05.504676Z",
"structure_string": "Li4 Mn3 O1 F11\n1.0\n5.459445 -0.177079 0.072771\n-1.173498 6.203201 -0.252591\n-0.833656 -1.925991 6.258242\nLi Mn O F\n4 3 1 11\ndirect\n0.160177 0.558331 0.340467 Li\n0.371159 0.622925 0.886992 Li\n0.610955 0.361398 0.100238 Li\n0.844455 0.449448 0.649370 Li\n0.715621 0.870559 0.414314 Mn\n-0.003322 -0.002834 0.019787 Mn\n0.286208 0.135740 0.552710 Mn\n0.017271 0.961536 0.311740 O\n0.639620 0.156001 0.424506 F\n0.335726 0.129100 0.085082 F\n0.813087 0.606362 0.442880 F\n0.547733 0.351139 0.798928 F\n0.400258 0.854204 0.554044 F\n0.187886 0.417010 0.565329 F\n0.657216 0.863541 -0.060801 F\n0.934714 0.291854 0.119458 F\n0.051931 0.703820 0.895843 F\n0.434421 0.610630 0.172922 F\n0.994863 0.059232 0.726185 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.3257145891106763,
"density_atomic": 0.09113194117487612,
"volume": 208.48892007622516,
"volume_molar": 6.608155913681147,
"formula_full": "Li4 Mn3 O1 F11",
"formula_reduced": "Li4Mn3OF11",
"formula_anonymous": "AB3C4D11",
"energy_above_hull": 0.9378151753493646,
"spacegroup": 1
},
{
"id": "jvasp-110165",
"created_at": "2022-09-04T14:38:27.167146Z",
"updated_at": "2022-09-04T14:38:27.167156Z",
"structure_string": "Sr1 La1 Co1 O4\n1.0\n3.658777 0.000020 1.071098\n-0.313550 3.645335 1.071084\n0.007320 0.007977 6.759962\nSr La Co O\n1 1 1 4\ndirect\n0.359599 0.359597 0.280751 Sr\n0.639541 0.639543 0.721170 La\n0.992903 0.992902 0.014154 Co\n0.506613 0.006656 0.986735 O\n0.006656 0.506613 0.986736 O\n0.160793 0.160793 0.678314 O\n0.833899 0.833897 0.332138 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 6.440585395738202,
"density_atomic": 0.077692921860587,
"volume": 90.09829766166953,
"volume_molar": 7.75120901078504,
"formula_full": "Sr1 La1 Co1 O4",
"formula_reduced": "SrLaCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9381137442857144,
"spacegroup": 107
},
{
"id": "jvasp-85668",
"created_at": "2022-09-04T14:38:17.851618Z",
"updated_at": "2022-09-04T14:38:17.851653Z",
"structure_string": "Mn2 H4 Se2 O10\n1.0\n3.154400 4.132691 -1.635269\n-3.154400 4.132691 1.635269\n0.068154 0.000000 7.882406\nMn H Se O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.417713 0.160290 0.794193 H\n0.160289 0.417714 0.705808 H\n0.582286 0.839710 0.205807 H\n0.839710 0.582286 0.294193 H\n0.838070 0.838071 0.750000 Se\n0.161929 0.161929 0.250000 Se\n0.405155 0.159928 0.157535 O\n0.159928 0.405155 0.342465 O\n0.594844 0.840073 0.842465 O\n0.840072 0.594845 0.657536 O\n0.132801 0.768568 0.922049 O\n0.867198 0.231432 0.077952 O\n0.768567 0.132802 0.577952 O\n0.359639 0.359640 0.750000 O\n0.231432 0.867199 0.422049 O\n0.640360 0.640360 0.250000 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "H-Mn-O-Se",
"density": 3.4735448436357785,
"density_atomic": 0.08719502448798341,
"volume": 206.43379717704684,
"volume_molar": 6.90651880123037,
"formula_full": "Mn2 H4 Se2 O10",
"formula_reduced": "MnH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.890672012005108,
"spacegroup": 15
},
{
"id": "jvasp-106999",
"created_at": "2022-09-04T14:38:06.121806Z",
"updated_at": "2022-09-04T14:38:06.121830Z",
"structure_string": "Dy2 P2 Ru4 C2\n1.0\n5.842892 -0.004676 0.000000\n-4.618799 3.578561 0.000000\n-0.000000 -0.000000 7.066865\nDy P Ru C\n2 2 4 2\ndirect\n0.543908 0.456090 0.250000 Dy\n0.456090 0.543908 0.750001 Dy\n0.268329 0.731670 0.250000 P\n0.731669 0.268329 0.750001 P\n0.834739 0.165259 0.053131 Ru\n0.165260 0.834739 0.946870 Ru\n0.165260 0.834739 0.553131 Ru\n0.834739 0.165259 0.446869 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Ru",
"C"
],
"chemical_system": "C-Dy-P-Ru",
"density": 9.171177042061247,
"density_atomic": 0.06774632566244225,
"volume": 147.60948143264218,
"volume_molar": 8.889250746979778,
"formula_full": "Dy2 P2 Ru4 C2",
"formula_reduced": "DyPRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.9972606,
"spacegroup": 63
},
{
"id": "jvasp-109790",
"created_at": "2022-09-04T14:38:26.965204Z",
"updated_at": "2022-09-04T14:38:26.965218Z",
"structure_string": "Al1 Tl2 Cu3 Se4\n1.0\n3.963068 -0.000000 0.000000\n0.000000 3.963068 0.000000\n-0.000000 -0.000000 14.462881\nAl Tl Cu Se\n1 2 3 4\ndirect\n0.500000 0.500000 -0.000000 Al\n0.500000 0.000000 0.714163 Tl\n-0.000000 0.500000 0.285837 Tl\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n-0.000000 0.500000 0.894074 Se\n0.500000 0.000000 0.390700 Se\n0.500000 0.000000 0.105925 Se\n-0.000000 0.500000 0.609300 Se\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-Cu-Se-Tl",
"density": 6.8878928765367355,
"density_atomic": 0.0440232538212882,
"volume": 227.15267800501215,
"volume_molar": 13.679454009571392,
"formula_full": "Al1 Tl2 Cu3 Se4",
"formula_reduced": "AlTl2Cu3Se4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.5249442816666667,
"spacegroup": 115
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
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"elements": [
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"I",
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],
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"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
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"spacegroup": 19
},
{
"id": "jvasp-43000",
"created_at": "2022-09-04T14:38:13.540469Z",
"updated_at": "2022-09-04T14:38:13.540478Z",
"structure_string": "Li2 V2 Si2 O10\n1.0\n0.000000 4.584665 0.056667\n6.229963 0.000000 0.000000\n0.000000 -0.355036 -6.401064\nLi V Si O\n2 2 2 10\ndirect\n0.499999 0.000000 0.499999 Li\n0.499999 0.500000 0.499999 Li\n0.892537 0.750000 0.244779 V\n0.107461 0.250000 0.755220 V\n0.983772 0.250000 0.254985 Si\n0.016226 0.750000 0.745014 Si\n0.150121 0.250000 0.035421 O\n0.246138 0.750000 0.295762 O\n0.773115 0.464213 0.265140 O\n0.773115 0.035787 0.265140 O\n0.229905 0.250000 0.451769 O\n0.770093 0.750000 0.548229 O\n0.226883 0.964213 0.734859 O\n0.226883 0.535786 0.734859 O\n0.753860 0.250000 0.704237 O\n0.849877 0.750000 0.964578 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.0168116353322203,
"density_atomic": 0.0875734730607286,
"volume": 182.70372797598947,
"volume_molar": 6.87667229530099,
"formula_full": "Li2 V2 Si2 O10",
"formula_reduced": "LiVSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 11
}
]
}