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_molar&page=1149",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1147",
"results": [
{
"id": "jvasp-96459",
"created_at": "2022-09-04T14:35:41.737556Z",
"updated_at": "2022-09-04T14:35:41.737592Z",
"structure_string": "La2 Ag2 Ge2\n1.0\n4.589043 -0.000000 -0.000000\n-2.294521 3.974227 0.000000\n0.000000 -0.000000 7.908728\nLa Ag Ge\n2 2 2\ndirect\n0.000000 0.000000 0.243241 La\n0.000000 0.000000 0.743241 La\n0.666667 0.333333 0.509552 Ag\n0.333333 0.666668 0.009552 Ag\n0.666667 0.333333 0.956808 Ge\n0.333333 0.666668 0.456808 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-La",
"density": 7.354466192023086,
"density_atomic": 0.0415977474962137,
"volume": 144.23857927754696,
"volume_molar": 14.477083790530115,
"formula_full": "La2 Ag2 Ge2",
"formula_reduced": "LaAgGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4908960699999999,
"spacegroup": 186
},
{
"id": "jvasp-74902",
"created_at": "2022-09-04T14:35:58.960108Z",
"updated_at": "2022-09-04T14:35:58.960127Z",
"structure_string": "Ca1 Be1 Br2\n1.0\n4.891917 0.000000 0.000000\n0.000000 4.891917 -0.000000\n0.000000 -0.000000 4.018181\nCa Be Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ca",
"density": 3.607414963650239,
"density_atomic": 0.04159798901139216,
"volume": 96.15849455858424,
"volume_molar": 14.47699973753721,
"formula_full": "Ca1 Be1 Br2",
"formula_reduced": "CaBeBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1617961825,
"spacegroup": 123
},
{
"id": "jvasp-98029",
"created_at": "2022-09-04T14:35:49.290149Z",
"updated_at": "2022-09-04T14:35:49.290171Z",
"structure_string": "Nd8 N4 Cl12\n1.0\n6.251099 -0.000000 0.000000\n0.000000 6.854459 0.000000\n0.000000 0.000000 13.463579\nNd N Cl\n8 4 12\ndirect\n0.006022 0.823149 0.907545 Nd\n0.493979 0.823149 0.092455 Nd\n0.993979 0.676851 0.407545 Nd\n0.993979 0.176851 0.092455 Nd\n0.493979 0.323149 0.407545 Nd\n0.506022 0.176851 0.907545 Nd\n0.006022 0.323149 0.592455 Nd\n0.506022 0.676851 0.592455 Nd\n0.750000 0.492516 0.500000 N\n0.750000 0.992516 0.000000 N\n0.250000 0.507484 0.500000 N\n0.250000 0.007484 0.000000 N\n0.250000 0.997575 0.500000 Cl\n0.250000 0.497575 0.000000 Cl\n0.911302 0.151237 0.786349 Cl\n0.088698 0.848763 0.213651 Cl\n0.588698 0.651237 0.286349 Cl\n0.411302 0.848763 0.786349 Cl\n0.911302 0.651237 0.713651 Cl\n0.411302 0.348763 0.713651 Cl\n0.588698 0.151237 0.213651 Cl\n0.088698 0.348763 0.286349 Cl\n0.750000 0.502425 0.000000 Cl\n0.750000 0.002425 0.500000 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"N",
"Cl"
],
"chemical_system": "Cl-N-Nd",
"density": 4.707417193238054,
"density_atomic": 0.041602665669345576,
"volume": 576.8861108744796,
"volume_molar": 14.475372342396179,
"formula_full": "Nd8 N4 Cl12",
"formula_reduced": "Nd2NCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2405480754166662,
"spacegroup": 60
},
{
"id": "jvasp-11425",
"created_at": "2022-09-04T14:36:33.317127Z",
"updated_at": "2022-09-04T14:36:33.317153Z",
"structure_string": "Ba2 Pr4 Mn2 S10\n1.0\n7.114245 0.000000 -3.529943\n-1.751486 6.895272 -3.529943\n-0.034297 -0.044099 8.864870\nBa Pr Mn S\n2 4 2 10\ndirect\n0.249999 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.339099 0.160900 0.000000 Pr\n0.160900 0.660900 -0.000000 Pr\n0.660899 0.839099 -0.000000 Pr\n0.839099 0.339100 0.000000 Pr\n0.249999 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.499999 0.500000 -0.000000 S\n0.483742 0.983743 0.269947 S\n0.983742 0.786203 0.269947 S\n0.286203 0.483743 0.269947 S\n0.016257 0.213796 0.730052 S\n0.713795 0.516257 0.730052 S\n0.516256 0.016257 0.730052 S\n0.213796 0.713796 0.730052 S\n0.786203 0.286203 0.269947 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Mn",
"S"
],
"chemical_system": "Ba-Mn-Pr-S",
"density": 4.869798357766289,
"density_atomic": 0.04160423660062018,
"volume": 432.64824620605293,
"volume_molar": 14.474825767888815,
"formula_full": "Ba2 Pr4 Mn2 S10",
"formula_reduced": "BaPr2MnS5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.003039212375479,
"spacegroup": 140
},
{
"id": "jvasp-54890",
"created_at": "2022-09-04T14:37:03.839583Z",
"updated_at": "2022-09-04T14:37:03.839603Z",
"structure_string": "Rb2 W6 Cl18\n1.0\n4.653542 -8.060172 0.000000\n4.653544 8.060171 0.000000\n0.000000 0.000000 8.330429\nRb W Cl\n2 6 18\ndirect\n0.333333 0.666667 0.429093 Rb\n0.666667 0.333333 0.570907 Rb\n0.022623 0.827696 0.874102 W\n0.827695 0.805072 0.125898 W\n0.194927 0.022623 0.125898 W\n0.805072 0.977376 0.874102 W\n0.977376 0.172304 0.125898 W\n0.172304 0.194927 0.874102 W\n0.374984 0.421005 0.693633 Cl\n0.625016 0.578995 0.306367 Cl\n0.744458 0.172908 0.001126 Cl\n0.808524 0.783632 0.678518 Cl\n0.172908 0.428450 0.998875 Cl\n0.046021 0.625016 0.693633 Cl\n0.827091 0.571550 0.001126 Cl\n0.024893 0.808524 0.321482 Cl\n0.191475 0.216368 0.321482 Cl\n0.578995 0.953979 0.693633 Cl\n0.783631 0.975106 0.321482 Cl\n0.953979 0.374984 0.306367 Cl\n0.975106 0.191475 0.678518 Cl\n0.255541 0.827092 0.998875 Cl\n0.571550 0.744458 0.998875 Cl\n0.421005 0.046021 0.306367 Cl\n0.216368 0.024894 0.678518 Cl\n0.428450 0.255542 0.001126 Cl\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"W",
"Cl"
],
"chemical_system": "Cl-Rb-W",
"density": 5.080904653485428,
"density_atomic": 0.041605234214880556,
"volume": 624.9213708476329,
"volume_molar": 14.474478689140794,
"formula_full": "Rb2 W6 Cl18",
"formula_reduced": "Rb(WCl3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.154628200576924,
"spacegroup": 147
},
{
"id": "jvasp-2862",
"created_at": "2022-09-04T14:36:31.206559Z",
"updated_at": "2022-09-04T14:36:31.206599Z",
"structure_string": "K2 Li2 Se2\n1.0\n4.475019 0.000000 0.000000\n0.000000 4.475019 0.000000\n0.000000 0.000000 7.201205\nK Li Se\n2 2 2\ndirect\n0.500000 0.000000 0.659098 K\n0.000000 0.500000 0.340901 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.193083 Se\n0.000000 0.500000 0.806916 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Li",
"Se"
],
"chemical_system": "K-Li-Se",
"density": 2.878669010605908,
"density_atomic": 0.0416060329681276,
"volume": 144.20985544563487,
"volume_molar": 14.474200807881095,
"formula_full": "K2 Li2 Se2",
"formula_reduced": "KLiSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-123548",
"created_at": "2022-09-04T14:38:51.738185Z",
"updated_at": "2022-09-04T14:38:51.738195Z",
"structure_string": "Ac1 P3\n1.0\n3.723553 -0.000000 -1.192328\n-0.044129 4.373273 -0.137811\n-0.145184 -0.196293 5.956954\nAc P\n1 3\ndirect\n0.340512 -0.012932 0.681023 Ac\n0.622142 0.091144 0.244284 P\n0.113970 0.423673 0.227939 P\n0.923376 0.498116 0.846752 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"P"
],
"chemical_system": "Ac-P",
"density": 5.5259622484251,
"density_atomic": 0.04160788789272652,
"volume": 96.13561760964176,
"volume_molar": 14.473555532369936,
"formula_full": "Ac1 P3",
"formula_reduced": "AcP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.239479125,
"spacegroup": 8
},
{
"id": "jvasp-42111",
"created_at": "2022-09-04T14:37:31.921529Z",
"updated_at": "2022-09-04T14:37:31.921549Z",
"structure_string": "Ca1 Pm1 Zn2\n1.0\n-0.000007 3.635935 3.635935\n3.635935 -0.000007 3.635935\n3.635935 3.635935 -0.000007\nCa Pm Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750002 0.750002 0.750002 Pm\n0.999984 0.999984 0.999984 Zn\n0.500020 0.500020 0.500020 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pm",
"Zn"
],
"chemical_system": "Ca-Pm-Zn",
"density": 5.4564935012597715,
"density_atomic": 0.04160834189982427,
"volume": 96.13456863122185,
"volume_molar": 14.473397604977464,
"formula_full": "Ca1 Pm1 Zn2",
"formula_reduced": "CaPmZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56261",
"created_at": "2022-09-04T14:37:31.008469Z",
"updated_at": "2022-09-04T14:37:31.008489Z",
"structure_string": "Ge3 As4\n1.0\n5.520292 0.000000 0.000000\n0.000000 5.520292 -0.000000\n0.000000 -0.000000 5.520539\nGe As\n3 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.282169 0.717831 0.217840 As\n0.717831 0.282169 0.217840 As\n0.282169 0.282169 0.782161 As\n0.717831 0.717831 0.782161 As\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ge",
"As"
],
"chemical_system": "As-Ge",
"density": 5.109085273799273,
"density_atomic": 0.04160949609395575,
"volume": 168.2308284674668,
"volume_molar": 14.472996131464287,
"formula_full": "Ge3 As4",
"formula_reduced": "Ge3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.90477355,
"spacegroup": 215
},
{
"id": "jvasp-121259",
"created_at": "2022-09-04T14:38:55.187663Z",
"updated_at": "2022-09-04T14:38:55.187690Z",
"structure_string": "Na1 Ti1 Se1\n1.0\n2.946379 -0.000000 0.000000\n0.000000 2.946379 0.000000\n0.000000 0.000000 8.305074\nNa Ti Se\n1 1 1\ndirect\n0.000000 0.000000 0.381395 Na\n0.000000 0.000000 0.011928 Ti\n0.000000 0.000000 0.720232 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Se"
],
"chemical_system": "Na-Se-Ti",
"density": 3.450553755354134,
"density_atomic": 0.041610269374519705,
"volume": 72.09758660772016,
"volume_molar": 14.472727166932724,
"formula_full": "Na1 Ti1 Se1",
"formula_reduced": "NaTiSe",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 99
},
{
"id": "jvasp-74490",
"created_at": "2022-09-04T14:36:01.434172Z",
"updated_at": "2022-09-04T14:36:01.434196Z",
"structure_string": "Be1 Bi2 Cl1\n1.0\n5.356083 0.000000 0.000000\n0.000000 5.356083 0.000000\n0.000000 0.000000 3.350843\nBe Bi Cl\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Cl"
],
"chemical_system": "Be-Bi-Cl",
"density": 7.98808446214313,
"density_atomic": 0.041611302931000974,
"volume": 96.12772776263986,
"volume_molar": 14.472367688139427,
"formula_full": "Be1 Bi2 Cl1",
"formula_reduced": "BeBi2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.007774691875,
"spacegroup": 123
},
{
"id": "jvasp-29629",
"created_at": "2022-09-04T14:37:06.682678Z",
"updated_at": "2022-09-04T14:37:06.682713Z",
"structure_string": "Pr4 C2 Cl5\n1.0\n3.806652 0.000006 -0.783455\n-0.658313 7.158868 -3.198440\n0.011338 0.007957 9.694097\nPr C Cl\n4 2 5\ndirect\n0.325958 0.325943 0.651859 Pr\n0.674043 0.674059 0.348141 Pr\n0.000002 0.714696 0.000006 Pr\n-0.000000 0.285305 0.999994 Pr\n0.459485 0.459481 0.918954 C\n0.540516 0.540520 0.081047 C\n0.167838 0.390801 0.335731 Cl\n0.832154 0.055093 0.664256 Cl\n0.832163 0.609201 0.664269 Cl\n0.167847 0.944908 0.335744 Cl\n0.500000 0.000000 -0.000000 Cl\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Pr",
"C",
"Cl"
],
"chemical_system": "C-Cl-Pr",
"density": 4.80505085745572,
"density_atomic": 0.04161283105985701,
"volume": 264.34154369783937,
"volume_molar": 14.47183622603709,
"formula_full": "Pr4 C2 Cl5",
"formula_reduced": "Pr4C2Cl5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.9728263397727277,
"spacegroup": 71
}
]
}