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=density&page=302",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=300",
"results": [
{
"id": "jvasp-90560",
"created_at": "2022-09-04T14:35:47.998100Z",
"updated_at": "2022-09-04T14:35:47.998130Z",
"structure_string": "Mg6 Ti2\n1.0\n4.388336 0.000000 0.000000\n-0.000000 4.388336 -0.000000\n0.000000 0.000000 8.791309\nMg Ti\n6 2\ndirect\n0.500001 0.500001 0.000000 Mg\n0.000000 0.500001 0.750000 Mg\n0.500001 0.000000 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500001 0.000000 0.250000 Mg\n0.000000 0.500001 0.250000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.3693434540554446,
"density_atomic": 0.047253795413347614,
"volume": 169.29857019993506,
"volume_molar": 12.744247752634378,
"formula_full": "Mg6 Ti2",
"formula_reduced": "Mg3Ti",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6314883333333334,
"spacegroup": 139
},
{
"id": "jvasp-26811",
"created_at": "2022-09-04T14:38:31.751993Z",
"updated_at": "2022-09-04T14:38:31.752046Z",
"structure_string": "Na8 B4 H4 O12\n1.0\n3.464257 0.000000 0.000000\n-0.000000 8.638477 0.000000\n0.000000 0.000000 9.909153\nNa B H O\n8 4 4 12\ndirect\n0.250000 0.571091 0.102650 Na\n0.750001 0.428909 0.897350 Na\n0.750001 0.828000 0.946341 Na\n0.750001 0.928909 0.602650 Na\n0.750001 0.328000 0.553659 Na\n0.250000 0.672000 0.446341 Na\n0.250000 0.172000 0.053659 Na\n0.250000 0.071091 0.397350 Na\n0.250000 0.635575 0.740410 B\n0.250000 0.135575 0.759590 B\n0.750001 0.364425 0.259590 B\n0.750001 0.864425 0.240410 B\n0.750001 0.600651 0.270353 H\n0.750001 0.100651 0.229646 H\n0.250000 0.899349 0.770353 H\n0.250000 0.399349 0.729646 H\n0.750001 0.506673 0.336648 O\n0.250000 0.628131 0.877931 O\n0.250000 0.493327 0.663352 O\n0.750001 0.371870 0.122069 O\n0.250000 0.769097 0.666978 O\n0.250000 0.993328 0.836647 O\n0.750001 0.230903 0.333022 O\n0.250000 0.128130 0.622069 O\n0.750001 0.730903 0.166978 O\n0.750001 0.871870 0.377931 O\n0.750001 0.006673 0.163352 O\n0.250000 0.269097 0.833021 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"B",
"H",
"O"
],
"chemical_system": "B-H-Na-O",
"density": 2.369721471854003,
"density_atomic": 0.09442222123860225,
"volume": 296.54036552735613,
"volume_molar": 6.37788507938425,
"formula_full": "Na8 B4 H4 O12",
"formula_reduced": "Na2BHO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.8077687261904765,
"spacegroup": 62
},
{
"id": "jvasp-38395",
"created_at": "2022-09-04T14:37:56.047803Z",
"updated_at": "2022-09-04T14:37:56.047824Z",
"structure_string": "Be1 F2\n1.0\n0.000000 0.000000 -2.405921\n-0.933725 -3.579986 0.000000\n-2.633496 4.561349 0.000000\nBe F\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.578075 0.789037 F\n0.500000 0.421928 0.210965 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"F"
],
"chemical_system": "Be-F",
"density": 2.370515348052489,
"density_atomic": 0.09110328209899846,
"volume": 32.92965885400281,
"volume_molar": 6.61023469325284,
"formula_full": "Be1 F2",
"formula_reduced": "BeF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1598866666666665,
"spacegroup": 65
},
{
"id": "jvasp-25640",
"created_at": "2022-09-04T14:37:42.836274Z",
"updated_at": "2022-09-04T14:37:42.836306Z",
"structure_string": "Li8 Ca2 B4 O12\n1.0\n3.454391 0.000000 0.000000\n0.000000 8.114311 0.000000\n0.000000 -0.000000 9.268582\nLi Ca B O\n8 2 4 12\ndirect\n0.500000 0.831130 0.952293 Li\n0.000000 0.331130 0.547706 Li\n0.500000 0.485970 0.697134 Li\n0.000000 0.014030 0.197134 Li\n0.500000 0.514030 0.302866 Li\n0.000000 0.668870 0.452293 Li\n0.500000 0.168870 0.047706 Li\n0.000000 0.985970 0.802866 Li\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.271721 0.289791 B\n0.500000 0.228279 0.789791 B\n0.500000 0.771721 0.210209 B\n0.000000 0.728279 0.710209 B\n0.000000 0.427349 0.350719 O\n0.000000 0.572650 0.649281 O\n0.000000 0.247252 0.141065 O\n0.500000 0.366007 0.879719 O\n0.500000 0.747252 0.358935 O\n0.500000 0.252748 0.641065 O\n0.000000 0.866007 0.620281 O\n0.000000 0.133993 0.379719 O\n0.500000 0.927349 0.149281 O\n0.000000 0.752748 0.858935 O\n0.500000 0.072651 0.850719 O\n0.500000 0.633993 0.120281 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-Li-O",
"density": 2.3707941459819666,
"density_atomic": 0.10007760624115822,
"volume": 259.79838024250387,
"volume_molar": 6.017470827078312,
"formula_full": "Li8 Ca2 B4 O12",
"formula_reduced": "Li4Ca(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.2301566605128205,
"spacegroup": 58
},
{
"id": "jvasp-120332",
"created_at": "2022-09-04T14:38:51.728542Z",
"updated_at": "2022-09-04T14:38:51.728558Z",
"structure_string": "Mg1 Se1\n1.0\n4.292006 -0.000000 0.000000\n-2.146003 3.716986 -0.000000\n0.000000 -0.000000 4.533157\nMg Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 2.37110202020479,
"density_atomic": 0.027655275508503687,
"volume": 72.31893239989681,
"volume_molar": 21.77573952625516,
"formula_full": "Mg1 Se1",
"formula_reduced": "MgSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.18072,
"spacegroup": 187
},
{
"id": "jvasp-91448",
"created_at": "2022-09-04T14:36:06.115912Z",
"updated_at": "2022-09-04T14:36:06.115940Z",
"structure_string": "Si4 O8\n1.0\n5.006967 0.087485 -0.092202\n-0.157617 5.425444 -0.306347\n-0.103594 -0.270499 6.210018\nSi O\n4 8\ndirect\n0.495054 0.728790 0.130604 Si\n0.203859 0.227193 0.100085 Si\n0.853932 0.496628 0.825507 Si\n0.335905 0.510401 0.528339 Si\n0.790955 0.717851 0.022410 O\n0.603257 0.419621 0.654656 O\n0.931944 0.248974 0.948805 O\n0.382221 0.457164 0.033103 O\n0.451306 0.733506 0.391442 O\n0.191562 0.285441 0.364159 O\n0.342607 0.962875 0.042820 O\n0.098722 0.602269 0.689490 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.3711139693497922,
"density_atomic": 0.07129573991722307,
"volume": 168.3130017856948,
"volume_molar": 8.446704904096546,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4277985333333336,
"spacegroup": 1
},
{
"id": "jvasp-28362",
"created_at": "2022-09-04T14:35:50.105072Z",
"updated_at": "2022-09-04T14:35:50.105106Z",
"structure_string": "C3 N1\n1.0\n-1.174856 -3.146355 0.000000\n-1.174856 3.146355 0.000000\n0.000000 0.000000 -4.739432\nC N\n3 1\ndirect\n0.625008 0.374996 0.500000 C\n0.624998 0.375005 0.223826 C\n0.624998 0.375005 0.776173 C\n0.125003 0.875000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.371413731135347,
"density_atomic": 0.11415931072710822,
"volume": 35.03875395290173,
"volume_molar": 5.2752077089845155,
"formula_full": "C3 N1",
"formula_reduced": "C3N",
"formula_anonymous": "AB3",
"energy_above_hull": 6.2710833125,
"spacegroup": 65
},
{
"id": "jvasp-71178",
"created_at": "2022-09-04T14:35:53.977310Z",
"updated_at": "2022-09-04T14:35:53.977338Z",
"structure_string": "Mg1 Sc1 Be2\n1.0\n4.383602 0.000000 0.000000\n0.000000 4.383602 0.000000\n0.000000 0.000000 3.180677\nMg Sc Be\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.500001 Sc\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Be"
],
"chemical_system": "Be-Mg-Sc",
"density": 2.3714189485855646,
"density_atomic": 0.06544525889680954,
"volume": 61.11978266152143,
"volume_molar": 9.201798360207237,
"formula_full": "Mg1 Sc1 Be2",
"formula_reduced": "MgScBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.382989125,
"spacegroup": 123
},
{
"id": "jvasp-78551",
"created_at": "2022-09-04T14:37:10.022085Z",
"updated_at": "2022-09-04T14:37:10.022104Z",
"structure_string": "Sr1 Mg1\n1.0\n4.040964 0.000000 -0.000000\n-2.020483 3.499578 -0.000000\n-0.000000 -0.000000 5.541023\nSr Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.371841089955775,
"density_atomic": 0.025523450362299027,
"volume": 78.35931159817727,
"volume_molar": 23.594540215046205,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.367344705882353,
"spacegroup": 187
},
{
"id": "jvasp-68002",
"created_at": "2022-09-04T14:35:46.581841Z",
"updated_at": "2022-09-04T14:35:46.581856Z",
"structure_string": "K2 Be1 Fe1\n1.0\n-2.604636 2.604636 3.690678\n2.604636 -2.604636 3.690678\n2.604636 2.604636 -3.690678\nK Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750001 0.500001 K\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-K",
"density": 2.3718554415454154,
"density_atomic": 0.03993923722001161,
"volume": 100.15213805825502,
"volume_molar": 15.078256820044121,
"formula_full": "K2 Be1 Fe1",
"formula_reduced": "K2BeFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1352869,
"spacegroup": 216
},
{
"id": "jvasp-68705",
"created_at": "2022-09-04T14:36:01.879753Z",
"updated_at": "2022-09-04T14:36:01.879790Z",
"structure_string": "K1 Sr2 Be1\n1.0\n-2.577019 2.577019 5.884549\n2.577019 -2.577019 5.884549\n2.577019 2.577019 -5.884549\nK Sr Be\n1 2 1\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sr",
"Be"
],
"chemical_system": "Be-K-Sr",
"density": 2.372616659674262,
"density_atomic": 0.02558889754089204,
"volume": 156.31779343396278,
"volume_molar": 23.53419388379819,
"formula_full": "K1 Sr2 Be1",
"formula_reduced": "KSr2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.219310154375,
"spacegroup": 119
},
{
"id": "jvasp-99124",
"created_at": "2022-09-04T14:36:03.604202Z",
"updated_at": "2022-09-04T14:36:03.604222Z",
"structure_string": "Na8 Li10 B6 O18\n1.0\n6.960258 -0.014297 1.862215\n3.110794 6.226424 1.862215\n0.017359 0.010708 9.785186\nNa Li B O\n8 10 6 18\ndirect\n0.879131 0.363658 0.483775 Na\n0.222907 0.333562 0.785179 Na\n0.666438 0.777092 0.714823 Na\n0.636342 0.120869 0.016226 Na\n0.333562 0.222907 0.285179 Na\n0.777093 0.666438 0.214823 Na\n0.363658 0.879130 0.983775 Na\n0.120870 0.636342 0.516227 Na\n0.985809 0.923178 0.139674 Li\n0.297779 0.517126 0.011544 Li\n0.482874 0.702221 0.488458 Li\n0.076821 0.014192 0.360328 Li\n0.721251 0.278749 0.250001 Li\n0.702222 0.482873 0.988458 Li\n0.923179 0.985807 0.639674 Li\n0.278749 0.721250 0.750001 Li\n0.014192 0.076821 0.860328 Li\n0.517127 0.297778 0.511544 Li\n0.917562 0.747478 0.904494 B\n0.747479 0.917561 0.404494 B\n0.082438 0.252521 0.095508 B\n0.252521 0.082438 0.595508 B\n0.394225 0.605774 0.250001 B\n0.605775 0.394225 0.750001 B\n0.708623 0.001218 0.263416 O\n0.001218 0.708622 0.763416 O\n0.206048 0.793951 0.250001 O\n0.466260 0.478665 0.144827 O\n0.521334 0.533740 0.355175 O\n0.033780 0.790411 0.977259 O\n0.478666 0.466259 0.644827 O\n0.793952 0.206048 0.750001 O\n0.277689 0.249567 0.028729 O\n0.750433 0.722310 0.471272 O\n0.291378 -0.001218 0.736585 O\n0.209589 0.966219 0.522743 O\n-0.001218 0.291377 0.236585 O\n0.533740 0.521334 0.855175 O\n0.966220 0.209588 0.022743 O\n0.790411 0.033780 0.477258 O\n0.722311 0.750432 0.971272 O\n0.249568 0.277689 0.528729 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Na",
"Li",
"B",
"O"
],
"chemical_system": "B-Li-Na-O",
"density": 2.372791303925185,
"density_atomic": 0.09900468092961305,
"volume": 424.22236611074703,
"volume_molar": 6.082682862521839,
"formula_full": "Na8 Li10 B6 O18",
"formula_reduced": "Na4Li5(BO3)3",
"formula_anonymous": "A3B4C5D9",
"energy_above_hull": 2.048355488095238,
"spacegroup": 15
}
]
}