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=3867",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3865",
"results": [
{
"id": "jvasp-39868",
"created_at": "2022-09-04T14:37:40.561970Z",
"updated_at": "2022-09-04T14:37:40.561989Z",
"structure_string": "Tm1 Np1 Ru2\n1.0\n0.000000 3.356487 3.356487\n3.356487 0.000000 3.356487\n3.356487 3.356487 -0.000000\nTm Np Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Tm\n0.249999 0.249999 0.249999 Np\n0.000000 0.000000 0.000000 Ru\n0.499999 0.499999 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Np",
"Ru"
],
"chemical_system": "Np-Ru-Tm",
"density": 13.351214633972326,
"density_atomic": 0.052890185144039405,
"volume": 75.628398522458,
"volume_molar": 11.386121533890453,
"formula_full": "Tm1 Np1 Ru2",
"formula_reduced": "TmNpRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2701263125,
"spacegroup": 225
},
{
"id": "jvasp-64100",
"created_at": "2022-09-04T14:37:40.592676Z",
"updated_at": "2022-09-04T14:37:40.592696Z",
"structure_string": "Ba4 Ti1 P1\n1.0\n-0.000000 4.905479 4.905479\n4.905479 0.000000 4.905479\n4.905479 4.905479 0.000000\nBa Ti P\n4 1 1\ndirect\n0.127708 0.624098 0.624098 Ba\n0.624098 0.624098 0.624098 Ba\n0.624098 0.127708 0.624098 Ba\n0.624098 0.624098 0.127708 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"P"
],
"chemical_system": "Ba-P-Ti",
"density": 4.418118370774473,
"density_atomic": 0.025414232113704686,
"volume": 236.08818764051838,
"volume_molar": 23.695938295741566,
"formula_full": "Ba4 Ti1 P1",
"formula_reduced": "Ba4TiP",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2147012855555557,
"spacegroup": 216
},
{
"id": "jvasp-23448",
"created_at": "2022-09-04T14:37:40.593747Z",
"updated_at": "2022-09-04T14:37:40.593777Z",
"structure_string": "U2 Al20 Fe4\n1.0\n6.738770 -0.022419 -0.000000\n-0.926985 6.674746 -0.000000\n0.000000 0.000000 8.975663\nU Al Fe\n2 20 4\ndirect\n0.121202 0.878800 0.750000 U\n0.878799 0.121201 0.250000 U\n0.154995 0.845006 0.098046 Al\n0.845006 0.154994 0.598045 Al\n0.587992 0.864502 0.750000 Al\n0.412009 0.135498 0.250000 Al\n0.864502 0.587992 0.250000 Al\n0.135499 0.412009 0.750000 Al\n0.627250 0.372750 0.047878 Al\n0.372751 0.627250 0.952122 Al\n0.477626 0.219262 0.750000 Al\n0.776156 0.776156 0.500000 Al\n0.223845 0.223845 0.000000 Al\n0.223845 0.223845 0.500000 Al\n0.776156 0.776156 0.000000 Al\n0.154995 0.845006 0.401954 Al\n0.845006 0.154994 0.901954 Al\n0.780738 0.522375 0.750000 Al\n0.219262 0.477626 0.250000 Al\n0.522375 0.780739 0.250000 Al\n0.627250 0.372750 0.452122 Al\n0.372751 0.627250 0.547878 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"U",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-U",
"density": 5.098744329369198,
"density_atomic": 0.06443059429872385,
"volume": 403.53500201246743,
"volume_molar": 9.346709937330624,
"formula_full": "U2 Al20 Fe4",
"formula_reduced": "U(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.789849615384615,
"spacegroup": 63
},
{
"id": "jvasp-41175",
"created_at": "2022-09-04T14:37:40.692666Z",
"updated_at": "2022-09-04T14:37:40.692687Z",
"structure_string": "Nd1 Mg1 Zn2\n1.0\n-0.000000 3.481874 3.481874\n3.481874 -0.000000 3.481874\n3.481874 3.481874 -0.000000\nNd Mg Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zn\n0.499998 0.499998 0.499998 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Zn"
],
"chemical_system": "Mg-Nd-Zn",
"density": 5.888178570980055,
"density_atomic": 0.04737954027586601,
"volume": 84.42462667873338,
"volume_molar": 12.710424636744593,
"formula_full": "Nd1 Mg1 Zn2",
"formula_reduced": "NdMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-35382",
"created_at": "2022-09-04T14:37:40.709093Z",
"updated_at": "2022-09-04T14:37:40.709118Z",
"structure_string": "Lu2 Cr2 C3\n1.0\n-0.000000 3.286608 0.000000\n0.025867 0.000000 5.438494\n4.983373 -1.643303 -1.505364\nLu Cr C\n2 2 3\ndirect\n0.608725 0.316123 0.217450 Lu\n0.391277 0.683877 0.782551 Lu\n0.845504 0.116714 0.691005 Cr\n0.154498 0.883286 0.308995 Cr\n0.280019 0.238043 0.560035 C\n0.719983 0.761958 0.439965 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Lu",
"Cr",
"C"
],
"chemical_system": "C-Cr-Lu",
"density": 9.120837724563296,
"density_atomic": 0.07847377634340291,
"volume": 89.20177320596693,
"volume_molar": 7.674080489827562,
"formula_full": "Lu2 Cr2 C3",
"formula_reduced": "Lu2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.883725185714286,
"spacegroup": 12
},
{
"id": "jvasp-40070",
"created_at": "2022-09-04T14:37:40.730784Z",
"updated_at": "2022-09-04T14:37:40.730807Z",
"structure_string": "Li2 Mg1 Cd1\n1.0\n0.000000 3.324152 3.324152\n3.324152 0.000000 3.324152\n3.324152 3.324152 0.000000\nLi Mg Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.749998 0.749998 0.749998 Mg\n0.249999 0.249999 0.249999 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 3.4040480661920363,
"density_atomic": 0.054448682228179605,
"volume": 73.46366957490521,
"volume_molar": 11.060213973155214,
"formula_full": "Li2 Mg1 Cd1",
"formula_reduced": "Li2MgCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2554075,
"spacegroup": 225
},
{
"id": "jvasp-55019",
"created_at": "2022-09-04T14:37:40.765957Z",
"updated_at": "2022-09-04T14:37:40.765969Z",
"structure_string": "Na4 Li2 N2\n1.0\n4.009485 0.000000 -0.000000\n-0.000000 4.009485 0.000000\n0.000000 0.000000 6.053875\nNa Li N\n4 2 2\ndirect\n0.499999 0.000000 0.202054 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.499999 0.797945 Na\n0.499999 0.499999 0.500000 Na\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.000000 0.791803 N\n0.000000 0.499999 0.208196 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 2.283869915744299,
"density_atomic": 0.08220142597136626,
"volume": 97.32191267322649,
"volume_molar": 7.326078214382473,
"formula_full": "Na4 Li2 N2",
"formula_reduced": "Na2LiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1368053125,
"spacegroup": 129
},
{
"id": "jvasp-41863",
"created_at": "2022-09-04T14:37:40.795198Z",
"updated_at": "2022-09-04T14:37:40.795219Z",
"structure_string": "Sc2 Ir1 Pd1\n1.0\n0.000000 3.257210 3.257210\n3.257210 0.000000 3.257210\n3.257210 3.257210 -0.000000\nSc Ir Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.249999 0.249999 0.249999 Ir\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ir",
"Pd"
],
"chemical_system": "Ir-Pd-Sc",
"density": 9.335281583733124,
"density_atomic": 0.057875228314580585,
"volume": 69.11419818956074,
"volume_molar": 10.4053857503018,
"formula_full": "Sc2 Ir1 Pd1",
"formula_reduced": "Sc2IrPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.602849325,
"spacegroup": 225
},
{
"id": "jvasp-35471",
"created_at": "2022-09-04T14:37:40.925622Z",
"updated_at": "2022-09-04T14:37:40.925631Z",
"structure_string": "Tl2 Cd1 Te4\n1.0\n6.311073 -0.000000 -0.000000\n0.000000 6.311073 0.000000\n-3.155536 -3.155537 6.468803\nTl Cd Te\n2 1 4\ndirect\n0.249999 0.749999 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Cd\n0.431893 0.352960 0.277810 Te\n0.845916 0.924849 0.277810 Te\n0.075150 0.568106 0.722190 Te\n0.647039 0.154083 0.722190 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"Te"
],
"chemical_system": "Cd-Te-Tl",
"density": 6.648453994086793,
"density_atomic": 0.027168627994469625,
"volume": 257.6501103193323,
"volume_molar": 22.165789016750686,
"formula_full": "Tl2 Cd1 Te4",
"formula_reduced": "Tl2CdTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.2623551285714284,
"spacegroup": 82
},
{
"id": "jvasp-39893",
"created_at": "2022-09-04T14:37:40.926212Z",
"updated_at": "2022-09-04T14:37:40.926237Z",
"structure_string": "Lu1 Cd1 Ag2\n1.0\n0.000000 3.432112 3.432112\n3.432112 -0.000000 3.432112\n3.432112 3.432112 -0.000000\nLu Cd Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250001 0.250001 0.250001 Cd\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Lu",
"density": 10.332406748104322,
"density_atomic": 0.04947042489593707,
"volume": 80.85639062963686,
"volume_molar": 12.173214142930457,
"formula_full": "Lu1 Cd1 Ag2",
"formula_reduced": "LuCdAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-85925",
"created_at": "2022-09-04T14:37:40.416982Z",
"updated_at": "2022-09-04T14:37:40.416999Z",
"structure_string": "Sc2 Re4 O12\n1.0\n4.852172 0.000000 0.000000\n0.000000 5.621637 -0.754692\n0.000000 -0.024240 7.561171\nSc Re O\n2 4 12\ndirect\n0.500000 -0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.008837 0.870634 0.848994 Re\n0.991162 0.129366 0.151006 Re\n0.491163 0.370634 0.848994 Re\n0.508837 0.629366 0.151006 Re\n0.821927 0.824346 0.616792 O\n0.732633 0.657122 0.930349 O\n0.716737 0.922823 0.248436 O\n0.321927 0.675654 0.383208 O\n0.216737 0.577178 0.751564 O\n0.783263 0.422823 0.248436 O\n0.178073 0.175654 0.383208 O\n0.232634 0.842878 0.069651 O\n0.767366 0.157122 0.930349 O\n0.678073 0.324346 0.616792 O\n0.283263 0.077177 0.751564 O\n0.267366 0.342878 0.069651 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sc",
"Re",
"O"
],
"chemical_system": "O-Re-Sc",
"density": 8.269997231533962,
"density_atomic": 0.08731149208576591,
"volume": 206.15842851842038,
"volume_molar": 6.8973059744351435,
"formula_full": "Sc2 Re4 O12",
"formula_reduced": "Sc(ReO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.817061361111112,
"spacegroup": 14
},
{
"id": "jvasp-35931",
"created_at": "2022-09-04T14:37:40.425260Z",
"updated_at": "2022-09-04T14:37:40.425274Z",
"structure_string": "Li3 La1 Bi2\n1.0\n2.362561 -4.092075 -0.000000\n2.362561 4.092075 0.000000\n-0.000000 -0.000000 7.572692\nLi La Bi\n3 1 2\ndirect\n0.333333 0.666667 0.644675 Li\n0.666667 0.333333 0.355325 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.257050 Bi\n0.666667 0.333333 0.742950 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"La",
"Bi"
],
"chemical_system": "Bi-La-Li",
"density": 6.5514358668951,
"density_atomic": 0.04097739497656509,
"volume": 146.42219212400863,
"volume_molar": 14.696250855975721,
"formula_full": "Li3 La1 Bi2",
"formula_reduced": "Li3LaBi2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9359839333333332,
"spacegroup": 164
}
]
}