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=created_at&page=688",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=686",
"results": [
{
"id": "jvasp-86775",
"created_at": "2022-09-04T14:36:03.544487Z",
"updated_at": "2022-09-04T14:36:03.544518Z",
"structure_string": "K1 Co1 Au3 C6 N6\n1.0\n6.717009 -0.000000 0.000000\n-3.358505 5.817100 -0.000000\n0.000000 0.000000 7.597588\nK Co Au C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.500000 K\n0.000000 0.000000 0.500000 Co\n0.503714 0.007427 0.000000 Au\n0.992573 0.496286 0.000000 Au\n0.503714 0.496286 0.000000 Au\n0.667493 0.659927 0.782619 C\n0.992435 0.332508 0.782619 C\n0.340073 0.332508 0.217382 C\n0.340073 0.007565 0.782619 C\n0.667493 0.007565 0.217382 C\n0.992436 0.659927 0.217382 C\n0.235704 0.003408 0.657989 N\n0.996593 0.764296 0.342011 N\n0.767704 0.003408 0.342011 N\n0.235704 0.232296 0.342011 N\n0.767704 0.764296 0.657989 N\n0.996593 0.232296 0.657989 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Co",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-Co-K-N",
"density": 4.726785613341592,
"density_atomic": 0.0572651921672871,
"volume": 296.864453896154,
"volume_molar": 10.516232517665705,
"formula_full": "K1 Co1 Au3 C6 N6",
"formula_reduced": "KCoAu3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.225642418235293,
"spacegroup": 149
},
{
"id": "jvasp-93348",
"created_at": "2022-09-04T14:36:03.544968Z",
"updated_at": "2022-09-04T14:36:03.544979Z",
"structure_string": "Pu1 B2 Ru3\n1.0\n-0.000058 -0.000018 2.914915\n5.523503 -0.000041 -0.000055\n-2.761786 4.783409 0.000027\nPu B Ru\n1 2 3\ndirect\n0.000002 0.999999 0.000001 Pu\n0.000001 0.333334 0.666664 B\n1.000000 0.666666 0.333335 B\n0.500000 0.499999 0.500000 Ru\n0.500000 -0.000000 0.500000 Ru\n0.500001 0.499999 1.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pu",
"B",
"Ru"
],
"chemical_system": "B-Pu-Ru",
"density": 12.264701227173683,
"density_atomic": 0.07790675334183979,
"volume": 77.01514621810973,
"volume_molar": 7.729934186290642,
"formula_full": "Pu1 B2 Ru3",
"formula_reduced": "PuB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.581347777777777,
"spacegroup": 191
},
{
"id": "jvasp-105636",
"created_at": "2022-09-04T14:36:03.545855Z",
"updated_at": "2022-09-04T14:36:03.545875Z",
"structure_string": "K2 In1 Au1 I6\n1.0\n7.205415 0.000000 4.160048\n2.401805 6.793330 4.160048\n0.000000 0.000000 8.320097\nK In Au I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.500000 Au\n0.747093 0.252908 0.252908 I\n0.252908 0.252908 0.747092 I\n0.252909 0.747092 0.747092 I\n0.252909 0.747092 0.252908 I\n0.747093 0.252908 0.747092 I\n0.747093 0.747092 0.252908 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Au",
"I"
],
"chemical_system": "Au-I-In-K",
"density": 4.6947042153233305,
"density_atomic": 0.02455443239156881,
"volume": 407.2584468877266,
"volume_molar": 24.525676928568735,
"formula_full": "K2 In1 Au1 I6",
"formula_reduced": "K2InAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-67607",
"created_at": "2022-09-04T14:36:03.555252Z",
"updated_at": "2022-09-04T14:36:03.555270Z",
"structure_string": "Na1 Be1 Ge1\n1.0\n-1.658285 1.658285 5.210245\n1.658285 -1.658285 5.210245\n1.658285 1.658285 -5.210245\nNa Be Ge\n1 1 1\ndirect\n0.669469 0.669469 0.000000 Na\n0.945660 0.945660 0.000000 Be\n0.384870 0.384870 0.000000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Na",
"density": 3.0319249394230585,
"density_atomic": 0.05234615335988965,
"volume": 57.3108014140874,
"volume_molar": 11.504457106134712,
"formula_full": "Na1 Be1 Ge1",
"formula_reduced": "NaBeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6753036833333332,
"spacegroup": 107
},
{
"id": "jvasp-68045",
"created_at": "2022-09-04T14:36:03.556926Z",
"updated_at": "2022-09-04T14:36:03.556959Z",
"structure_string": "La1 Ta2 Be1\n1.0\n-2.403991 2.403991 3.397577\n2.403991 -2.403991 3.397577\n2.403991 2.403991 -3.397577\nLa Ta Be\n1 2 1\ndirect\n0.750000 0.250000 0.500000 La\n0.000000 0.000000 0.000000 Ta\n0.250000 0.750000 0.500000 Ta\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ta",
"Be"
],
"chemical_system": "Be-La-Ta",
"density": 10.778675064180351,
"density_atomic": 0.050928984555806744,
"volume": 78.54073735982105,
"volume_molar": 11.82458439437583,
"formula_full": "La1 Ta2 Be1",
"formula_reduced": "LaTa2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.413829874999999,
"spacegroup": 216
},
{
"id": "jvasp-64339",
"created_at": "2022-09-04T14:36:03.562685Z",
"updated_at": "2022-09-04T14:36:03.562729Z",
"structure_string": "Ba4 Zn1 Ga1\n1.0\n-0.000000 5.026546 5.026546\n5.026546 0.000000 5.026546\n5.026546 5.026546 -0.000000\nBa Zn Ga\n4 1 1\ndirect\n0.126217 0.624595 0.624595 Ba\n0.624595 0.624595 0.624595 Ba\n0.624595 0.126217 0.624595 Ba\n0.624595 0.624595 0.126217 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Ga"
],
"chemical_system": "Ba-Ga-Zn",
"density": 4.474510179836045,
"density_atomic": 0.023621760982120498,
"volume": 254.0030781168876,
"volume_molar": 25.494038164886213,
"formula_full": "Ba4 Zn1 Ga1",
"formula_reduced": "Ba4ZnGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65620",
"created_at": "2022-09-04T14:36:03.565412Z",
"updated_at": "2022-09-04T14:36:03.565432Z",
"structure_string": "Ba2 Y1 Be1\n1.0\n-0.000000 4.160227 4.160227\n4.160227 0.000000 4.160227\n4.160227 4.160227 -0.000000\nBa Y Be\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Be"
],
"chemical_system": "Ba-Be-Y",
"density": 4.296138437165101,
"density_atomic": 0.02777658887932355,
"volume": 144.0061635133872,
"volume_molar": 21.68063467462985,
"formula_full": "Ba2 Y1 Be1",
"formula_reduced": "Ba2YBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2123483725000002,
"spacegroup": 225
},
{
"id": "jvasp-95419",
"created_at": "2022-09-04T14:36:03.575858Z",
"updated_at": "2022-09-04T14:36:03.575878Z",
"structure_string": "Ge8 Br16\n1.0\n6.833658 0.000000 -1.426226\n0.000000 8.063279 0.000000\n0.318048 0.000000 12.921432\nGe Br\n8 16\ndirect\n0.750042 0.874892 -0.000010 Ge\n0.749959 0.374892 0.000009 Ge\n0.249959 0.125108 0.000009 Ge\n0.250041 0.625108 -0.000009 Ge\n0.749933 0.624899 0.500112 Ge\n0.750068 0.124899 0.499887 Ge\n0.250068 0.375101 0.499887 Ge\n0.249932 0.875101 0.500112 Ge\n0.626054 0.375183 0.627889 Br\n0.873947 0.875183 0.372111 Br\n0.374046 0.874727 0.872125 Br\n0.125954 0.374727 0.127875 Br\n0.625954 0.125273 0.127875 Br\n0.874047 0.625273 0.872125 Br\n0.126077 0.875010 0.127915 Br\n0.125991 0.624988 0.627907 Br\n0.873923 0.124990 0.872085 Br\n0.626078 0.624990 0.127915 Br\n0.126053 0.124817 0.627889 Br\n0.374009 0.124988 0.372093 Br\n0.874009 0.375012 0.372093 Br\n0.625992 0.875012 0.627907 Br\n0.373923 0.375010 0.872085 Br\n0.373947 0.624817 0.372111 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ge",
"Br"
],
"chemical_system": "Br-Ge",
"density": 4.314833340087135,
"density_atomic": 0.03353593114020174,
"volume": 715.6503244136738,
"volume_molar": 17.957279118995032,
"formula_full": "Ge8 Br16",
"formula_reduced": "GeBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-63980",
"created_at": "2022-09-04T14:36:03.581927Z",
"updated_at": "2022-09-04T14:36:03.581952Z",
"structure_string": "Ba4 Ga1 Si1\n1.0\n0.000000 4.919360 4.919360\n4.919360 0.000000 4.919360\n4.919360 4.919360 -0.000000\nBa Ga Si\n4 1 1\ndirect\n0.122801 0.625733 0.625733 Ba\n0.625733 0.625733 0.625733 Ba\n0.625733 0.122801 0.625733 Ba\n0.625733 0.625733 0.122801 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Si"
],
"chemical_system": "Ba-Ga-Si",
"density": 4.513108336101157,
"density_atomic": 0.025199703924585037,
"volume": 238.09803551486772,
"volume_molar": 23.89766474250021,
"formula_full": "Ba4 Ga1 Si1",
"formula_reduced": "Ba4GaSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4022491341666665,
"spacegroup": 216
},
{
"id": "jvasp-90185",
"created_at": "2022-09-04T14:36:03.590186Z",
"updated_at": "2022-09-04T14:36:03.590203Z",
"structure_string": "Th3 Ga3 Rh3\n1.0\n0.000000 0.000000 -4.035316\n-3.653854 -6.328660 0.000000\n-3.653974 6.328729 0.000000\nTh Ga Rh\n3 3 3\ndirect\n0.500001 0.588120 -0.000000 Th\n0.500001 0.411858 0.411870 Th\n0.500001 0.999986 0.588128 Th\n0.000000 0.240282 -0.000000 Ga\n0.000000 0.759698 0.759711 Ga\n0.000000 -0.000014 0.240288 Ga\n0.000000 0.333323 0.666666 Rh\n0.000000 0.666656 0.333332 Rh\n0.500001 0.999988 -0.000001 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Th",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Th",
"density": 10.80158957464067,
"density_atomic": 0.04822392011293008,
"volume": 186.629373533382,
"volume_molar": 12.48787063742939,
"formula_full": "Th3 Ga3 Rh3",
"formula_reduced": "ThGaRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4197203083333336,
"spacegroup": 189
},
{
"id": "jvasp-90553",
"created_at": "2022-09-04T14:36:03.592878Z",
"updated_at": "2022-09-04T14:36:03.592893Z",
"structure_string": "Sm2 Fe2 Sb4\n1.0\n4.338975 0.000000 0.000000\n0.000000 4.338975 0.000000\n0.000000 -0.000000 9.721158\nSm Fe Sb\n2 2 4\ndirect\n0.750001 0.750001 0.740880 Sm\n0.250000 0.250000 0.259120 Sm\n0.250000 0.750001 0.500000 Fe\n0.750001 0.250000 0.500000 Fe\n0.250000 0.750001 0.000000 Sb\n0.750001 0.250000 0.000000 Sb\n0.750001 0.750001 0.362727 Sb\n0.250000 0.250000 0.637273 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Sm",
"density": 8.160820509788438,
"density_atomic": 0.04371169923310876,
"volume": 183.01736469536561,
"volume_molar": 13.776954146496827,
"formula_full": "Sm2 Fe2 Sb4",
"formula_reduced": "SmFeSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.91331164375,
"spacegroup": 129
},
{
"id": "jvasp-74239",
"created_at": "2022-09-04T14:36:03.595632Z",
"updated_at": "2022-09-04T14:36:03.595660Z",
"structure_string": "Hf1 Be2 Ru1\n1.0\n3.063691 0.000000 0.000000\n0.000000 3.063691 -0.000000\n0.000000 0.000000 5.799509\nHf Be Ru\n1 2 1\ndirect\n0.000000 0.000000 0.515837 Hf\n0.000000 0.000000 0.002658 Be\n0.500000 0.500000 0.189078 Be\n0.500000 0.500000 0.792427 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ru"
],
"chemical_system": "Be-Hf-Ru",
"density": 9.077746641416766,
"density_atomic": 0.07348164042264119,
"volume": 54.435366126740945,
"volume_molar": 8.195435928434248,
"formula_full": "Hf1 Be2 Ru1",
"formula_reduced": "HfBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.388483925,
"spacegroup": 99
}
]
}