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=energy_above_hull&page=523",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=521",
"results": [
{
"id": "jvasp-25133",
"created_at": "2022-09-04T14:37:42.651310Z",
"updated_at": "2022-09-04T14:37:42.651322Z",
"structure_string": "Mg1\n1.0\n2.905403 -0.000000 -1.027215\n-1.452702 2.516153 -1.027215\n0.000000 -0.000000 3.081645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.791507741387995,
"density_atomic": 0.044388857416155246,
"volume": 22.528176173240535,
"volume_molar": 13.566784798133265,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy_above_hull": 0.0322799999999998,
"spacegroup": 229
},
{
"id": "jvasp-90858",
"created_at": "2022-09-04T14:35:55.423669Z",
"updated_at": "2022-09-04T14:35:55.423689Z",
"structure_string": "K1 Cd4 P3\n1.0\n-2.198702 -3.808263 0.000000\n2.198702 -3.808263 0.000000\n-0.000000 -2.538842 11.859877\nK Cd P\n1 4 3\ndirect\n0.499999 0.499999 0.500000 K\n0.091355 0.091355 0.725935 Cd\n0.908644 0.908644 0.274065 Cd\n0.301385 0.301385 0.095843 Cd\n0.698614 0.698614 0.904158 Cd\n0.227923 0.227923 0.316230 P\n0.772076 0.772076 0.683770 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cd",
"P"
],
"chemical_system": "Cd-K-P",
"density": 4.863148021413434,
"density_atomic": 0.04027972544499358,
"volume": 198.61108564220194,
"volume_molar": 14.95079892792194,
"formula_full": "K1 Cd4 P3",
"formula_reduced": "KCd4P3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0323219140624999,
"spacegroup": 166
},
{
"id": "jvasp-19734",
"created_at": "2022-09-04T14:37:56.501556Z",
"updated_at": "2022-09-04T14:37:56.501575Z",
"structure_string": "Hg2 Te2\n1.0\n4.334767 0.212056 0.000000\n-0.215318 4.334606 0.000000\n0.000000 -0.000000 6.135154\nHg Te\n2 2\ndirect\n0.250147 0.749854 0.250000 Hg\n0.749854 0.250148 0.750000 Hg\n0.750130 0.249871 0.250000 Te\n0.249870 0.750131 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 9.43212406001829,
"density_atomic": 0.03461505760373092,
"volume": 115.55664721958654,
"volume_molar": 17.397459882750322,
"formula_full": "Hg2 Te2",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0323549999999999,
"spacegroup": 225
},
{
"id": "jvasp-4349",
"created_at": "2022-09-04T14:36:45.508825Z",
"updated_at": "2022-09-04T14:36:45.508851Z",
"structure_string": "Hg2 Te2\n1.0\n4.334767 0.212056 0.000000\n-0.215318 4.334606 -0.000000\n0.000000 -0.000000 6.135155\nHg Te\n2 2\ndirect\n0.250147 0.749854 0.250000 Hg\n0.749853 0.250148 0.749999 Hg\n0.750131 0.249871 0.250000 Te\n0.249870 0.750131 0.749999 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 9.432122522628596,
"density_atomic": 0.034615051961647283,
"volume": 115.55666605475307,
"volume_molar": 17.39746271845092,
"formula_full": "Hg2 Te2",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0323549999999999,
"spacegroup": 225
},
{
"id": "jvasp-25120",
"created_at": "2022-09-04T14:37:49.042742Z",
"updated_at": "2022-09-04T14:37:49.042765Z",
"structure_string": "Co1\n1.0\n2.150744 -0.000000 1.241733\n0.716915 2.027740 1.241733\n-0.000000 -0.000000 2.483464\nCo\n1\ndirect\n0.000000 0.000000 0.000000 Co\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 9.035459150578177,
"density_atomic": 0.09232964012016609,
"volume": 10.830758125976773,
"volume_molar": 6.522434997214594,
"formula_full": "Co1",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy_above_hull": 0.0324500000000007,
"spacegroup": 225
},
{
"id": "jvasp-14589",
"created_at": "2022-09-04T14:36:01.077986Z",
"updated_at": "2022-09-04T14:36:01.078003Z",
"structure_string": "Co1\n1.0\n2.150744 -0.000000 1.241733\n0.716915 2.027740 1.241733\n-0.000000 -0.000000 2.483464\nCo\n1\ndirect\n0.000000 0.000000 0.000000 Co\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 9.035459150578177,
"density_atomic": 0.09232964012016609,
"volume": 10.830758125976773,
"volume_molar": 6.522434997214594,
"formula_full": "Co1",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy_above_hull": 0.0324500000000007,
"spacegroup": 225
},
{
"id": "jvasp-78276",
"created_at": "2022-09-04T14:36:31.980067Z",
"updated_at": "2022-09-04T14:36:31.980092Z",
"structure_string": "Yb1 Ag2\n1.0\n3.701502 -0.000000 0.000000\n-0.000000 3.701502 0.000000\n-1.850752 -1.850752 4.593715\nYb Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.670011 0.670011 0.340022 Ag\n0.329989 0.329989 0.659977 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Yb",
"Ag"
],
"chemical_system": "Ag-Yb",
"density": 10.257203388592549,
"density_atomic": 0.04766517923778281,
"volume": 62.93902693692142,
"volume_molar": 12.634255983719083,
"formula_full": "Yb1 Ag2",
"formula_reduced": "YbAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0325381609195402,
"spacegroup": 139
},
{
"id": "jvasp-13917",
"created_at": "2022-09-04T14:38:03.782809Z",
"updated_at": "2022-09-04T14:38:03.782839Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.649853 0.000000 -0.000000\n-2.824927 5.868919 -0.579199\n-0.000000 0.398444 9.115571\nNa Zr F\n5 2 13\ndirect\n0.809224 0.618450 0.111887 Na\n0.662598 0.325196 0.578340 Na\n-0.000000 -0.000000 0.500000 Na\n0.337401 0.674803 0.421659 Na\n0.190775 0.381549 0.888113 Na\n0.081617 0.163236 0.219493 Zr\n0.918381 0.836764 0.780507 Zr\n0.835070 0.110891 0.730815 F\n0.164929 0.889109 0.269185 F\n0.638506 0.705211 0.606412 F\n0.361493 0.294788 0.393588 F\n0.933293 0.294788 0.393588 F\n0.406814 0.349503 0.110751 F\n0.057311 0.650497 0.889248 F\n0.593185 0.650497 0.889248 F\n0.942688 0.349503 0.110751 F\n0.000000 0.000000 0.000000 F\n0.724178 0.889109 0.269185 F\n0.275821 0.110891 0.730815 F\n0.066706 0.705211 0.606412 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zr",
"F"
],
"chemical_system": "F-Na-Zr",
"density": 2.977827903833399,
"density_atomic": 0.0658842267228229,
"volume": 303.56279484224126,
"volume_molar": 9.140489400194895,
"formula_full": "Na5 Zr2 F13",
"formula_reduced": "Na5Zr2F13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 0.0326268836249998,
"spacegroup": 12
},
{
"id": "jvasp-5341",
"created_at": "2022-09-04T14:37:06.762160Z",
"updated_at": "2022-09-04T14:37:06.762185Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.648684 0.000000 -0.000000\n-2.824343 5.868777 -0.579391\n-0.000000 0.398120 9.115456\nNa Zr F\n5 2 13\ndirect\n0.809270 0.618541 0.111832 Na\n0.662589 0.325179 0.578407 Na\n-0.000000 -0.000000 0.500000 Na\n0.337411 0.674821 0.421594 Na\n0.190730 0.381460 0.888169 Na\n0.081607 0.163216 0.219508 Zr\n0.918393 0.836785 0.780493 Zr\n0.835016 0.110921 0.730842 F\n0.164984 0.889079 0.269159 F\n0.638505 0.705270 0.606394 F\n0.361495 0.294730 0.393606 F\n0.933234 0.294730 0.393606 F\n0.406861 0.349536 0.110791 F\n0.057325 0.650464 0.889209 F\n0.593139 0.650464 0.889209 F\n0.942675 0.349536 0.110791 F\n0.000000 0.000000 0.000000 F\n0.724094 0.889079 0.269159 F\n0.275906 0.110921 0.730842 F\n0.066766 0.705270 0.606394 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zr",
"F"
],
"chemical_system": "F-Na-Zr",
"density": 2.97855950558899,
"density_atomic": 0.06590041335868393,
"volume": 303.4882329363193,
"volume_molar": 9.138244288730917,
"formula_full": "Na5 Zr2 F13",
"formula_reduced": "Na5Zr2F13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 0.0326318836249999,
"spacegroup": 12
},
{
"id": "jvasp-64528",
"created_at": "2022-09-04T14:35:47.715165Z",
"updated_at": "2022-09-04T14:35:47.715197Z",
"structure_string": "Ba4 Li1 Pb1\n1.0\n0.000000 5.126459 5.126459\n5.126459 0.000000 5.126459\n5.126459 5.126459 0.000000\nBa Li Pb\n4 1 1\ndirect\n0.120269 0.626577 0.626577 Ba\n0.626577 0.626577 0.626577 Ba\n0.626577 0.120269 0.626577 Ba\n0.626577 0.626577 0.120269 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Pb"
],
"chemical_system": "Ba-Li-Pb",
"density": 4.704859592875337,
"density_atomic": 0.022267363033383735,
"volume": 269.4526509944022,
"volume_molar": 27.04469654072406,
"formula_full": "Ba4 Li1 Pb1",
"formula_reduced": "Ba4LiPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0327541166666666,
"spacegroup": 216
},
{
"id": "jvasp-78331",
"created_at": "2022-09-04T14:37:09.231123Z",
"updated_at": "2022-09-04T14:37:09.231142Z",
"structure_string": "Mg1\n1.0\n0.000000 -0.000000 3.369121\n-1.831134 1.831134 1.684560\n-1.831134 -1.831134 1.684560\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.786314260835073,
"density_atomic": 0.04426017660589058,
"volume": 22.593673968009206,
"volume_molar": 13.606228492089919,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy_above_hull": 0.0327899999999998,
"spacegroup": 139
},
{
"id": "jvasp-17917",
"created_at": "2022-09-04T14:38:10.433307Z",
"updated_at": "2022-09-04T14:38:10.433335Z",
"structure_string": "Li3 Ca3 Pb3\n1.0\n2.462824 -4.265736 0.000000\n2.462824 4.265736 0.000000\n-0.000000 -0.000000 10.889958\nLi Ca Pb\n3 3 3\ndirect\n0.666666 0.333332 0.806791 Li\n0.333332 0.666666 0.500000 Li\n0.666666 0.333332 0.193209 Li\n0.000000 0.000000 0.333300 Ca\n0.000000 0.000000 0.666700 Ca\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.155924 Pb\n0.333332 0.666666 0.844076 Pb\n0.666666 0.333332 0.500000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Pb"
],
"chemical_system": "Ca-Li-Pb",
"density": 5.534709188264382,
"density_atomic": 0.039333170780600814,
"volume": 228.81450494295808,
"volume_molar": 15.310590629957883,
"formula_full": "Li3 Ca3 Pb3",
"formula_reduced": "LiCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0328218033333334,
"spacegroup": 187
}
]
}