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=updated_at&page=311",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=309",
"results": [
{
"id": "jvasp-72842",
"created_at": "2022-09-04T14:35:50.908723Z",
"updated_at": "2022-09-04T14:35:50.908742Z",
"structure_string": "Be2 Cr1 Cd1\n1.0\n2.740913 0.000000 0.000000\n0.000000 2.740913 0.000000\n0.000000 0.000000 6.527291\nBe Cr Cd\n2 1 1\ndirect\n0.000000 0.000000 0.023298 Be\n0.499999 0.499999 0.187704 Be\n0.499999 0.499999 0.808989 Cr\n0.000000 0.000000 0.480008 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Cd"
],
"chemical_system": "Be-Cd-Cr",
"density": 6.177679376225376,
"density_atomic": 0.08157113684432138,
"volume": 49.036952955970264,
"volume_molar": 7.382685828558776,
"formula_full": "Be2 Cr1 Cd1",
"formula_reduced": "Be2CrCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7358423375,
"spacegroup": 99
},
{
"id": "jvasp-71291",
"created_at": "2022-09-04T14:35:50.912582Z",
"updated_at": "2022-09-04T14:35:50.912595Z",
"structure_string": "Sr2 Be1 Os1\n1.0\n3.325567 0.000000 0.000000\n0.000000 3.325567 -0.000000\n-0.000000 0.000000 8.729879\nSr Be Os\n2 1 1\ndirect\n0.000000 0.000000 0.912479 Sr\n0.500000 0.500000 0.333535 Sr\n0.000000 0.000000 0.597253 Be\n0.500000 0.500000 0.656733 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Os"
],
"chemical_system": "Be-Os-Sr",
"density": 6.440812076580402,
"density_atomic": 0.04143051799167226,
"volume": 96.54718777119852,
"volume_molar": 14.535518868507705,
"formula_full": "Sr2 Be1 Os1",
"formula_reduced": "Sr2BeOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7180309299999998,
"spacegroup": 99
},
{
"id": "jvasp-43561",
"created_at": "2022-09-04T14:35:50.913168Z",
"updated_at": "2022-09-04T14:35:50.913188Z",
"structure_string": "Li2 Fe2 F8\n1.0\n-0.000001 4.858454 0.000000\n4.858454 0.000001 0.000000\n2.429226 2.429227 -5.549489\nLi Fe F\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Li\n0.624999 0.875000 0.250000 Li\n0.125000 0.375000 0.250000 Fe\n0.874999 0.625000 0.750000 Fe\n0.456812 0.211976 0.105854 F\n0.182170 0.956812 0.605854 F\n0.711975 0.437334 0.605854 F\n0.937333 0.682170 0.105854 F\n0.062667 0.317830 0.894146 F\n0.288024 0.562666 0.394146 F\n0.817829 0.043188 0.394146 F\n0.543187 0.788024 0.894146 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5184839911306685,
"density_atomic": 0.09160771716918008,
"volume": 130.99333081118633,
"volume_molar": 6.57383563971841,
"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2372361049999999,
"spacegroup": 88
},
{
"id": "jvasp-29107",
"created_at": "2022-09-04T14:35:50.914414Z",
"updated_at": "2022-09-04T14:35:50.914441Z",
"structure_string": "Te6 Mo3 W1 S2\n1.0\n3.477378 0.000003 0.000000\n-1.738685 3.011358 -0.000018\n-0.000002 -0.000233 38.874838\nTe Mo W S\n6 3 1 2\ndirect\n0.333354 0.666710 0.704762 Te\n0.666645 0.333287 0.046784 Te\n0.666646 0.333291 0.421726 Te\n0.666645 0.333290 0.141497 Te\n0.666645 0.333287 0.517156 Te\n0.333353 0.666708 0.610268 Te\n0.333318 0.666636 0.093976 Mo\n0.666686 0.333372 0.281812 Mo\n0.666675 0.333351 0.657632 Mo\n0.333320 0.666639 0.469554 W\n0.333358 0.666717 0.319887 S\n0.333356 0.666715 0.243692 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.308520062962021,
"density_atomic": 0.029478008951188225,
"volume": 407.0831249108598,
"volume_molar": 20.42926566028217,
"formula_full": "Te6 Mo3 W1 S2",
"formula_reduced": "Te6Mo3WS2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.551256191666667,
"spacegroup": 156
},
{
"id": "jvasp-65428",
"created_at": "2022-09-04T14:35:50.917369Z",
"updated_at": "2022-09-04T14:35:50.917392Z",
"structure_string": "Ba1 Nb1 Bi2\n1.0\n3.309056 -0.000000 0.000000\n0.000000 3.309056 -0.000000\n-0.000000 -0.000000 11.473976\nBa Nb Bi\n1 1 2\ndirect\n0.500001 0.500001 0.733769 Ba\n0.000000 0.000000 0.480768 Nb\n0.000000 0.000000 0.987030 Bi\n0.500001 0.500001 0.298434 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Bi"
],
"chemical_system": "Ba-Bi-Nb",
"density": 8.567064838510575,
"density_atomic": 0.0318374166058612,
"volume": 125.63833458973579,
"volume_molar": 18.915293393784143,
"formula_full": "Ba1 Nb1 Bi2",
"formula_reduced": "BaNbBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8362484925,
"spacegroup": 99
},
{
"id": "jvasp-65292",
"created_at": "2022-09-04T14:35:50.917908Z",
"updated_at": "2022-09-04T14:35:50.917935Z",
"structure_string": "K4 Be1 P1\n1.0\n0.000000 4.689190 4.689190\n4.689190 0.000000 4.689190\n4.689190 4.689190 0.000000\nK Be P\n4 1 1\ndirect\n0.129598 0.623468 0.623468 K\n0.623468 0.623468 0.623468 K\n0.623468 0.129598 0.623468 K\n0.623468 0.623468 0.129598 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Be",
"P"
],
"chemical_system": "Be-K-P",
"density": 1.5813244065044667,
"density_atomic": 0.029095629930490856,
"volume": 206.2165354155911,
"volume_molar": 20.697750055203578,
"formula_full": "K4 Be1 P1",
"formula_reduced": "K4BeP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3146439333333332,
"spacegroup": 216
},
{
"id": "jvasp-91609",
"created_at": "2022-09-04T14:35:50.922842Z",
"updated_at": "2022-09-04T14:35:50.922869Z",
"structure_string": "Pr4 Al4\n1.0\n5.766392 0.000000 0.000000\n-0.000000 5.951019 -1.130455\n-0.000000 -0.041395 6.057297\nPr Al\n4 4\ndirect\n0.250000 0.340586 0.980354 Pr\n0.250000 0.980355 0.340585 Pr\n0.750000 0.019646 0.659415 Pr\n0.750000 0.659415 0.019645 Pr\n0.250000 0.804170 0.804169 Al\n0.750000 0.195831 0.195831 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Al"
],
"chemical_system": "Al-Pr",
"density": 5.371821892447379,
"density_atomic": 0.03853716591867206,
"volume": 207.59180934277873,
"volume_molar": 15.62683870606621,
"formula_full": "Pr4 Al4",
"formula_reduced": "PrAl",
"formula_anonymous": "AB",
"energy_above_hull": 0.9141863250000004,
"spacegroup": 63
},
{
"id": "jvasp-71137",
"created_at": "2022-09-04T14:35:50.924691Z",
"updated_at": "2022-09-04T14:35:50.924715Z",
"structure_string": "Be1 Cd1 Si2\n1.0\n2.900762 0.000000 0.000000\n0.000000 2.900762 0.000000\n0.000000 0.000000 7.461988\nBe Cd Si\n1 1 2\ndirect\n0.000000 0.000000 0.460043 Be\n0.500000 0.500000 0.719779 Cd\n0.000000 0.000000 0.037881 Si\n0.500000 0.500000 0.282298 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Si"
],
"chemical_system": "Be-Cd-Si",
"density": 4.696767803389107,
"density_atomic": 0.06370613388409258,
"volume": 62.78830241492335,
"volume_molar": 9.452999880602908,
"formula_full": "Be1 Cd1 Si2",
"formula_reduced": "BeCdSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6896657624999998,
"spacegroup": 99
},
{
"id": "jvasp-12111",
"created_at": "2022-09-04T14:35:50.930295Z",
"updated_at": "2022-09-04T14:35:50.930323Z",
"structure_string": "Cr2 P2 S8\n1.0\n6.132601 0.011559 0.184732\n0.123361 6.063230 2.528882\n0.013026 0.007205 6.570618\nCr P S\n2 2 8\ndirect\n0.000000 0.253898 0.746102 Cr\n0.000000 0.746102 0.253898 Cr\n0.835413 0.296475 0.296474 P\n0.164587 0.703526 0.703525 P\n0.298907 0.399072 0.868684 S\n0.701094 0.131316 0.600928 S\n0.701093 0.600929 0.131315 S\n0.298907 0.868685 0.399071 S\n0.807268 0.104773 0.104773 S\n0.192733 0.895228 0.895227 S\n0.852794 0.628766 0.628765 S\n0.147207 0.371235 0.371234 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"P",
"S"
],
"chemical_system": "Cr-P-S",
"density": 2.8728949808026107,
"density_atomic": 0.04914355708589064,
"volume": 244.1825686127482,
"volume_molar": 12.254181661036064,
"formula_full": "Cr2 P2 S8",
"formula_reduced": "CrPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.758248816666667,
"spacegroup": 12
},
{
"id": "jvasp-92985",
"created_at": "2022-09-04T14:35:50.930945Z",
"updated_at": "2022-09-04T14:35:50.930974Z",
"structure_string": "Zr1 V1 F6\n1.0\n5.002905 -0.000000 2.888429\n1.667635 4.716784 2.888429\n0.000000 -0.000000 5.776857\nZr V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500001 V\n0.750978 0.249022 0.750979 F\n0.249023 0.750977 0.750979 F\n0.249023 0.750977 0.249022 F\n0.249022 0.249022 0.750979 F\n0.750978 0.750977 0.249023 F\n0.750978 0.249022 0.249023 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"V",
"F"
],
"chemical_system": "F-V-Zr",
"density": 3.120280459680502,
"density_atomic": 0.058685407556624374,
"volume": 136.32008932171019,
"volume_molar": 10.261734578888897,
"formula_full": "Zr1 V1 F6",
"formula_reduced": "ZrVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7065800493750001,
"spacegroup": 225
},
{
"id": "jvasp-63069",
"created_at": "2022-09-04T14:35:50.931721Z",
"updated_at": "2022-09-04T14:35:50.931748Z",
"structure_string": "Pu1 B2 Rh3\n1.0\n4.876057 2.815196 -0.019390\n-4.876057 2.815196 -0.019390\n0.000000 0.019662 2.852798\nPu B Rh\n1 2 3\ndirect\n0.500001 0.500001 0.500001 Pu\n0.166671 0.833330 0.500001 B\n0.833330 0.166671 0.500001 B\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500001 0.000000 Rh\n0.500001 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pu",
"B",
"Rh"
],
"chemical_system": "B-Pu-Rh",
"density": 12.1763741299311,
"density_atomic": 0.07660413395467112,
"volume": 78.32475468687333,
"volume_molar": 7.861378295280349,
"formula_full": "Pu1 B2 Rh3",
"formula_reduced": "PuB2Rh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.676664027777778,
"spacegroup": 191
},
{
"id": "jvasp-75687",
"created_at": "2022-09-04T14:35:50.939252Z",
"updated_at": "2022-09-04T14:35:50.939276Z",
"structure_string": "K1 Co1 As1\n1.0\n-0.000000 3.218626 3.218626\n3.218626 0.000000 3.218626\n3.218626 3.218626 0.000000\nK Co As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.750001 0.750001 Co\n0.500001 0.500001 0.500001 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Co",
"As"
],
"chemical_system": "As-Co-K",
"density": 4.3066134695073295,
"density_atomic": 0.044986241826862415,
"volume": 66.68705537897644,
"volume_molar": 13.386627812070376,
"formula_full": "K1 Co1 As1",
"formula_reduced": "KCoAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.54836355,
"spacegroup": 216
}
]
}