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=-volume&page=655",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=653",
"results": [
{
"id": "jvasp-11095",
"created_at": "2022-09-04T14:38:11.953392Z",
"updated_at": "2022-09-04T14:38:11.953412Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n6.515463 -0.000125 3.761933\n2.171710 6.142686 3.761922\n-0.000129 -0.000105 7.524090\nCa Mn S\n2 4 8\ndirect\n0.874986 0.874969 0.875011 Ca\n0.125023 0.125032 0.124975 Ca\n0.500004 0.500005 0.499994 Mn\n0.500001 0.499978 0.000022 Mn\n-0.000006 0.500005 0.499996 Mn\n0.499988 0.000004 0.500006 Mn\n0.731923 0.731911 0.731917 S\n0.268066 0.268086 0.695789 S\n0.268070 0.695785 0.268082 S\n0.695797 0.268076 0.268077 S\n0.731926 0.304219 0.731918 S\n0.304216 0.731920 0.731926 S\n0.268072 0.268078 0.268084 S\n0.731931 0.731930 0.304202 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"S"
],
"chemical_system": "Ca-Mn-S",
"density": 3.068251210133533,
"density_atomic": 0.0464901273569391,
"volume": 301.1392051587995,
"volume_molar": 12.953590584434348,
"formula_full": "Ca2 Mn4 S8",
"formula_reduced": "Ca(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4157292718226597,
"spacegroup": 227
},
{
"id": "jvasp-10826",
"created_at": "2022-09-04T14:37:14.084745Z",
"updated_at": "2022-09-04T14:37:14.084769Z",
"structure_string": "Mg2 Co4 S10\n1.0\n0.000000 6.392487 -0.001399\n3.563080 0.000000 0.000000\n0.000000 0.000910 -13.221185\nMg Co S\n2 4 10\ndirect\n0.091099 0.500000 0.249886 Mg\n0.908901 0.000000 0.750117 Mg\n0.528580 0.000000 0.101609 Co\n0.471423 0.500000 0.898391 Co\n0.471460 0.500000 0.601617 Co\n0.528538 0.000000 0.398385 Co\n0.638575 0.500000 0.749986 S\n0.361425 0.000000 0.250013 S\n0.344650 0.500000 0.053425 S\n0.655354 0.000000 0.946575 S\n0.344648 0.500000 0.446630 S\n0.655349 0.000000 0.553369 S\n0.836215 0.000000 0.331852 S\n0.163786 0.500000 0.668149 S\n0.163764 0.500000 0.831911 S\n0.836236 0.000000 0.168090 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"S"
],
"chemical_system": "Co-Mg-S",
"density": 3.3360571861391417,
"density_atomic": 0.053131757282213324,
"volume": 301.1381670479069,
"volume_molar": 11.334352688568057,
"formula_full": "Mg2 Co4 S10",
"formula_reduced": "MgCo2S5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.14524635625,
"spacegroup": 59
},
{
"id": "jvasp-45831",
"created_at": "2022-09-04T14:38:08.143612Z",
"updated_at": "2022-09-04T14:38:08.143641Z",
"structure_string": "Li6 V4 F18\n1.0\n-5.004714 -0.003429 0.004341\n2.499369 4.335924 -0.009247\n-0.012055 -0.022690 -13.881571\nLi V F\n6 4 18\ndirect\n0.666632 0.333305 0.817249 Li\n0.666629 0.333326 0.515839 Li\n0.666724 0.333348 0.015858 Li\n0.666711 0.333358 0.317210 Li\n0.333376 0.666669 0.000215 Li\n0.333304 0.666660 0.500122 Li\n0.000055 0.000018 0.151943 V\n0.000027 0.000021 0.348241 V\n0.999957 0.999982 0.651927 V\n0.999983 0.999976 0.848246 V\n0.006167 0.324159 0.579072 F\n0.982340 0.693341 0.751344 F\n0.006244 0.682008 0.079103 F\n0.710952 0.017590 0.751351 F\n0.675860 0.993825 0.079100 F\n0.675783 0.682025 0.579069 F\n0.710984 0.693397 0.251345 F\n0.982481 0.289081 0.251344 F\n0.345295 0.328147 0.415259 F\n0.318065 0.324206 0.079102 F\n0.982857 0.654733 0.415257 F\n0.306600 0.288992 0.751345 F\n0.317923 0.993778 0.579067 F\n0.345242 0.017137 0.915279 F\n0.982840 0.328075 0.915285 F\n0.671893 0.017173 0.415252 F\n0.671902 0.654723 0.915287 F\n0.306665 0.017586 0.251351 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.23922553232562,
"density_atomic": 0.09298835337491532,
"volume": 301.11297795658487,
"volume_molar": 6.476231206847612,
"formula_full": "Li6 V4 F18",
"formula_reduced": "Li3V2F9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.619426495892857,
"spacegroup": 158
},
{
"id": "jvasp-57794",
"created_at": "2022-09-04T14:37:32.686841Z",
"updated_at": "2022-09-04T14:37:32.686867Z",
"structure_string": "Sm6 Os2 O14\n1.0\n6.551640 0.006570 0.000000\n-2.357060 6.112961 -0.000000\n-0.000000 0.000000 7.515356\nSm Os O\n6 2 14\ndirect\n0.525452 0.077028 0.250000 Sm\n0.474548 0.922971 0.750000 Sm\n0.077028 0.525452 0.250000 Sm\n0.922972 0.474548 0.750000 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.437243 0.183600 0.539219 O\n0.562757 0.816400 0.039219 O\n0.816400 0.562757 0.039219 O\n0.584333 0.584333 0.750000 O\n0.437243 0.183600 0.960782 O\n0.816400 0.562757 0.460782 O\n0.183600 0.437243 0.960782 O\n0.157860 0.893781 0.250000 O\n0.842140 0.106219 0.750000 O\n0.893781 0.157860 0.250000 O\n0.106219 0.842140 0.750000 O\n0.415667 0.415667 0.250000 O\n0.562757 0.816400 0.460782 O\n0.183600 0.437243 0.539219 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Os",
"O"
],
"chemical_system": "O-Os-Sm",
"density": 8.308666015793715,
"density_atomic": 0.07306402250115748,
"volume": 301.1057870465793,
"volume_molar": 8.242279242023114,
"formula_full": "Sm6 Os2 O14",
"formula_reduced": "Sm3OsO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.751484193181818,
"spacegroup": 63
},
{
"id": "jvasp-97492",
"created_at": "2022-09-04T14:36:14.903300Z",
"updated_at": "2022-09-04T14:36:14.903314Z",
"structure_string": "Cu8 H6 C4 N10\n1.0\n5.637945 0.000000 -0.000000\n-2.818972 4.882603 0.000000\n-0.000000 0.000000 10.938214\nCu H C N\n8 6 4 10\ndirect\n0.831788 0.663577 0.236312 Cu\n0.336422 0.168211 0.236312 Cu\n0.831788 0.168211 0.236312 Cu\n0.666666 0.333333 0.749527 Cu\n0.663577 0.831788 0.736312 Cu\n0.168211 0.336422 0.736312 Cu\n0.333333 0.666667 0.249527 Cu\n0.168211 0.831788 0.736312 Cu\n0.234949 0.469898 0.037079 H\n0.530101 0.765050 0.037079 H\n0.234949 0.765050 0.037079 H\n0.469898 0.234949 0.537079 H\n0.765050 0.234949 0.537079 H\n0.765050 0.530101 0.537079 H\n0.666666 0.333333 0.027307 C\n0.000000 0.000000 0.942103 C\n0.333333 0.666667 0.527307 C\n0.000000 0.000000 0.442103 C\n0.333333 0.666667 0.418897 N\n0.666666 0.333333 0.144854 N\n0.000000 0.000000 0.324502 N\n0.666666 0.333333 0.918896 N\n0.000000 0.000000 0.824502 N\n0.000000 0.000000 0.551319 N\n0.666666 0.333333 0.570518 N\n0.333333 0.666667 0.070518 N\n0.000000 0.000000 0.051319 N\n0.333333 0.666667 0.644854 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cu",
"H",
"C",
"N"
],
"chemical_system": "C-Cu-H-N",
"density": 3.874293239569672,
"density_atomic": 0.09299066789431851,
"volume": 301.10548331388776,
"volume_molar": 6.476070014728797,
"formula_full": "Cu8 H6 C4 N10",
"formula_reduced": "Cu4H3C2N5",
"formula_anonymous": "A2B3C4D5",
"energy_above_hull": 3.8766748607142874,
"spacegroup": 186
},
{
"id": "jvasp-30552",
"created_at": "2022-09-04T14:37:12.219570Z",
"updated_at": "2022-09-04T14:37:12.219591Z",
"structure_string": "Mg2 Co4 S10\n1.0\n3.562566 0.000037 0.000000\n0.000067 6.392597 -0.000962\n0.000006 -0.000976 13.221327\nMg Co S\n2 4 10\ndirect\n0.749994 0.908886 0.249909 Mg\n0.250009 0.091114 0.750099 Mg\n0.250000 0.471414 0.101607 Co\n0.750002 0.528587 0.898393 Co\n0.750002 0.528558 0.601612 Co\n0.249999 0.471441 0.398387 Co\n0.750000 0.361455 0.749990 S\n0.250002 0.638547 0.250010 S\n0.749994 0.655389 0.053410 S\n0.250008 0.344613 0.946589 S\n0.749993 0.655385 0.446631 S\n0.250007 0.344615 0.553369 S\n0.249984 0.163784 0.331853 S\n0.750018 0.836218 0.668145 S\n0.750018 0.836228 0.831893 S\n0.249986 0.163772 0.168105 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"S"
],
"chemical_system": "Co-Mg-S",
"density": 3.336445245346437,
"density_atomic": 0.05313793771212286,
"volume": 301.10314191492927,
"volume_molar": 11.33303439931225,
"formula_full": "Mg2 Co4 S10",
"formula_reduced": "MgCo2S5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.14525885625,
"spacegroup": 59
},
{
"id": "jvasp-50886",
"created_at": "2022-09-04T14:36:42.188861Z",
"updated_at": "2022-09-04T14:36:42.188872Z",
"structure_string": "Li2 Bi6 O12\n1.0\n6.712723 -0.126934 -0.129915\n-0.279310 6.708109 -0.129918\n-0.279313 -0.285726 6.703280\nLi Bi O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.085728 0.567234 0.258954 Bi\n0.258954 0.085728 0.567234 Bi\n0.432766 0.741046 0.914271 Bi\n0.567234 0.258954 0.085728 Bi\n0.741046 0.914272 0.432765 Bi\n0.914272 0.432766 0.741045 Bi\n0.808930 0.590654 0.466145 O\n0.683755 0.920627 0.087115 O\n0.590654 0.466145 0.808930 O\n0.533854 0.191070 0.409346 O\n0.466146 0.808930 0.590653 O\n0.079374 0.912885 0.316244 O\n0.316245 0.079373 0.912884 O\n0.191070 0.409346 0.533854 O\n0.920627 0.087115 0.683755 O\n0.087116 0.683755 0.920626 O\n0.409347 0.533855 0.191069 O\n0.912884 0.316245 0.079373 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 8.05039304653514,
"density_atomic": 0.06642282718840327,
"volume": 301.10130577958586,
"volume_molar": 9.066372232122339,
"formula_full": "Li2 Bi6 O12",
"formula_reduced": "Li(BiO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.00997739,
"spacegroup": 148
},
{
"id": "jvasp-34562",
"created_at": "2022-09-04T14:36:35.401027Z",
"updated_at": "2022-09-04T14:36:35.401052Z",
"structure_string": "Sr2 Al8 O14\n1.0\n4.831662 0.000000 0.000000\n0.000000 7.617785 -3.002123\n0.000000 -0.020202 8.187978\nSr Al O\n2 8 14\ndirect\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.557418 0.368810 0.631191 Al\n0.442581 0.631191 0.368810 Al\n0.500000 0.250000 0.250000 Al\n0.557418 0.131191 0.868810 Al\n0.442581 0.868810 0.131191 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.750001 0.750001 Al\n0.317908 0.750001 0.250000 O\n0.266279 0.073263 0.212222 O\n0.266279 0.712222 0.573264 O\n0.266279 0.426737 0.287779 O\n0.266279 0.787779 0.926737 O\n0.733720 0.573264 0.712222 O\n0.733720 0.212222 0.073263 O\n0.202313 0.383042 0.616959 O\n0.202313 0.116959 0.883042 O\n0.797687 0.616959 0.383042 O\n0.797687 0.883042 0.116959 O\n0.733720 0.926737 0.787779 O\n0.733720 0.287779 0.426737 O\n0.682091 0.250000 0.750000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Al",
"O"
],
"chemical_system": "Al-O-Sr",
"density": 3.3923763425623754,
"density_atomic": 0.0797134864778549,
"volume": 301.07828750743965,
"volume_molar": 7.5547326131231305,
"formula_full": "Sr2 Al8 O14",
"formula_reduced": "SrAl4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.0788251675,
"spacegroup": 67
},
{
"id": "jvasp-97669",
"created_at": "2022-09-04T14:36:07.643766Z",
"updated_at": "2022-09-04T14:36:07.643782Z",
"structure_string": "Fe3 P2 H16 O16\n1.0\n-4.938370 6.392389 3.545134\n4.915106 -6.392389 1.239739\n4.938370 6.392389 -3.545134\nFe P H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.402552 -0.000000 0.402552 Fe\n0.597448 -0.000000 0.597448 Fe\n0.939260 0.246798 0.307539 P\n0.060741 0.753202 0.692462 P\n0.461172 0.211566 0.190488 H\n0.978922 0.788434 0.249607 H\n0.021078 0.211567 0.750394 H\n0.654515 0.227364 0.175570 H\n0.948205 0.772635 0.427151 H\n0.345485 0.772636 0.824430 H\n0.051795 0.227365 0.572850 H\n0.538828 0.788435 0.809512 H\n0.407164 0.622127 0.040820 H\n0.581307 0.622127 0.214963 H\n0.592836 0.377874 0.959180 H\n0.616702 0.561506 0.672795 H\n0.111290 0.438495 0.055197 H\n0.383298 0.438495 0.327205 H\n0.888711 0.561506 0.944804 H\n0.418693 0.377874 0.785038 H\n0.545214 0.919255 0.823131 O\n0.903876 0.080746 0.625960 O\n0.180341 0.405720 0.981437 O\n0.575718 0.594281 0.774621 O\n0.819659 0.594280 0.018563 O\n0.424282 0.405719 0.225379 O\n0.223145 0.462707 0.441467 O\n0.305047 0.920532 0.615485 O\n0.776855 0.537294 0.558534 O\n0.021240 0.462707 0.239561 O\n0.694953 0.079469 0.384515 O\n0.213931 0.061877 0.847947 O\n0.786070 0.938124 0.152054 O\n0.096124 0.919255 0.374041 O\n0.978761 0.537294 0.760439 O\n0.454786 0.080746 0.176870 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-O-P",
"density": 2.766800416840553,
"density_atomic": 0.12290596538391017,
"volume": 301.0431583562805,
"volume_molar": 4.8997953363688955,
"formula_full": "Fe3 P2 H16 O16",
"formula_reduced": "Fe3P2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 3.3242460405405403,
"spacegroup": 12
},
{
"id": "jvasp-107132",
"created_at": "2022-09-04T14:36:51.502815Z",
"updated_at": "2022-09-04T14:36:51.502825Z",
"structure_string": "Rb2 Dy1 Au1 Cl6\n1.0\n6.514933 -0.000000 3.761398\n2.171644 6.142338 3.761398\n-0.000000 -0.000000 7.522797\nRb Dy Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.499999 0.500000 0.500001 Au\n0.754286 0.245714 0.245714 Cl\n0.245713 0.245714 0.754287 Cl\n0.245713 0.754287 0.754287 Cl\n0.245713 0.754287 0.245714 Cl\n0.754286 0.245714 0.754287 Cl\n0.754286 0.754287 0.245714 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Dy",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Dy-Rb",
"density": 4.09906814743968,
"density_atomic": 0.03321826860178364,
"volume": 301.03916973755383,
"volume_molar": 18.129002544330813,
"formula_full": "Rb2 Dy1 Au1 Cl6",
"formula_reduced": "Rb2DyAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-34889",
"created_at": "2022-09-04T14:38:34.281584Z",
"updated_at": "2022-09-04T14:38:34.281610Z",
"structure_string": "Ag3 Bi3 Se6\n1.0\n2.096436 -3.631135 0.000000\n2.096436 3.631135 -0.000000\n-0.000000 -0.000000 19.771433\nAg Bi Se\n3 3 6\ndirect\n0.333334 0.666668 0.333315 Ag\n0.666668 0.333334 0.666685 Ag\n0.000000 0.000000 0.000000 Ag\n0.333334 0.666668 0.833345 Bi\n0.000000 0.000000 0.500000 Bi\n0.666668 0.333334 0.166655 Bi\n0.666668 0.333334 0.411631 Se\n0.333334 0.666668 0.588369 Se\n0.666668 0.333334 0.921708 Se\n0.333334 0.666668 0.078292 Se\n0.000000 0.000000 0.744980 Se\n0.000000 0.000000 0.255020 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Se"
],
"chemical_system": "Ag-Bi-Se",
"density": 7.857062228711726,
"density_atomic": 0.03986475492922897,
"volume": 301.0177792715229,
"volume_molar": 15.106428650297676,
"formula_full": "Ag3 Bi3 Se6",
"formula_reduced": "AgBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7808470733333334,
"spacegroup": 166
},
{
"id": "jvasp-56587",
"created_at": "2022-09-04T14:37:07.272951Z",
"updated_at": "2022-09-04T14:37:07.272965Z",
"structure_string": "Nd4 Se8\n1.0\n0.000000 8.415276 -0.008081\n4.191444 0.000000 0.000000\n0.000000 -0.021908 -8.532212\nNd Se\n4 8\ndirect\n0.626301 0.275029 0.274759 Nd\n0.373700 0.724970 0.725240 Nd\n0.126300 0.224970 0.274759 Nd\n0.873700 0.775029 0.725240 Nd\n0.380714 0.189594 0.998344 Se\n0.874869 0.755495 0.368017 Se\n0.125131 0.244504 0.631982 Se\n0.625131 0.255496 0.631982 Se\n0.119286 0.689593 0.001655 Se\n0.374869 0.744503 0.368017 Se\n0.619286 0.810406 0.001655 Se\n0.880714 0.310406 0.998344 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"Se"
],
"chemical_system": "Nd-Se",
"density": 6.668899829039408,
"density_atomic": 0.039873697055249235,
"volume": 300.95027264145403,
"volume_molar": 15.103040863393444,
"formula_full": "Nd4 Se8",
"formula_reduced": "NdSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7352294111111111,
"spacegroup": 14
}
]
}