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=1156",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1154",
"results": [
{
"id": "jvasp-43180",
"created_at": "2022-09-04T14:36:19.236025Z",
"updated_at": "2022-09-04T14:36:19.236053Z",
"structure_string": "Cr3 Ni1 P4 O16\n1.0\n0.000000 4.694010 -0.004418\n5.634675 0.000000 0.000000\n0.000000 -0.039537 -9.736942\nCr Ni P O\n3 1 4 16\ndirect\n0.448940 0.500000 0.229408 Cr\n0.557339 0.000000 0.769497 Cr\n0.945789 0.000000 0.267685 Cr\n0.060331 0.500000 0.730978 Ni\n0.125953 0.000000 0.588505 P\n0.383261 0.000000 0.084592 P\n0.603542 0.500000 0.913335 P\n0.886155 0.500000 0.413580 P\n0.731113 0.288382 0.332578 O\n0.806878 0.000000 0.616100 O\n0.703006 0.000000 0.108685 O\n0.750912 0.716777 0.837787 O\n0.750912 0.283224 0.837787 O\n0.681704 0.500000 0.066711 O\n0.313661 0.000000 0.932366 O\n0.205350 0.500000 0.385801 O\n0.230739 0.788325 0.164158 O\n0.283536 0.500000 0.897452 O\n0.731113 0.711618 0.332578 O\n0.285669 0.209883 0.664055 O\n0.285669 0.790118 0.664055 O\n0.177540 0.000000 0.434117 O\n0.230739 0.211676 0.164158 O\n0.820137 0.500000 0.564031 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cr",
"Ni",
"P",
"O"
],
"chemical_system": "Cr-Ni-O-P",
"density": 3.8336537170148284,
"density_atomic": 0.09319103106694546,
"volume": 257.53551307699524,
"volume_molar": 6.462146293535358,
"formula_full": "Cr3 Ni1 P4 O16",
"formula_reduced": "Cr3Ni(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.415700108333334,
"spacegroup": 6
},
{
"id": "jvasp-18710",
"created_at": "2022-09-04T14:36:19.244201Z",
"updated_at": "2022-09-04T14:36:19.244225Z",
"structure_string": "Ti4 Ga2\n1.0\n2.260576 -3.915433 -0.000000\n2.260576 3.915433 0.000000\n-0.000000 0.000000 5.421285\nTi Ga\n4 2\ndirect\n0.666668 0.333334 0.250000 Ti\n0.333334 0.666668 0.750001 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666668 0.333334 0.750001 Ga\n0.333334 0.666668 0.250000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 5.725759400520959,
"density_atomic": 0.06252016369161735,
"volume": 95.9690385584271,
"volume_molar": 9.632317646678592,
"formula_full": "Ti4 Ga2",
"formula_reduced": "Ti2Ga",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0036063305555567,
"spacegroup": 194
},
{
"id": "jvasp-68986",
"created_at": "2022-09-04T14:36:19.244469Z",
"updated_at": "2022-09-04T14:36:19.244487Z",
"structure_string": "K1 Ba2 Pd1\n1.0\n-0.000000 4.194104 4.194104\n4.194104 -0.000000 4.194104\n4.194104 4.194104 0.000000\nK Ba Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Pd"
],
"chemical_system": "Ba-K-Pd",
"density": 4.728560323169487,
"density_atomic": 0.027108932091066885,
"volume": 147.5528429730401,
"volume_molar": 22.21459974804561,
"formula_full": "K1 Ba2 Pd1",
"formula_reduced": "KBa2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.05310891,
"spacegroup": 225
},
{
"id": "jvasp-66397",
"created_at": "2022-09-04T14:36:19.247135Z",
"updated_at": "2022-09-04T14:36:19.247165Z",
"structure_string": "Ba1 Li1 Zn1\n1.0\n0.000000 3.890042 3.890042\n3.890042 0.000000 3.890042\n3.890042 3.890042 -0.000000\nBa Li Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Zn"
],
"chemical_system": "Ba-Li-Zn",
"density": 2.9573792745706124,
"density_atomic": 0.025481699392387702,
"volume": 117.73155133037193,
"volume_molar": 23.633199133488834,
"formula_full": "Ba1 Li1 Zn1",
"formula_reduced": "BaLiZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0069834,
"spacegroup": 216
},
{
"id": "jvasp-64419",
"created_at": "2022-09-04T14:36:19.248406Z",
"updated_at": "2022-09-04T14:36:19.248434Z",
"structure_string": "Ba4 Zr1 Se1\n1.0\n0.000000 4.990188 4.990188\n4.990188 0.000000 4.990188\n4.990188 4.990188 -0.000000\nBa Zr Se\n4 1 1\ndirect\n0.126272 0.624576 0.624576 Ba\n0.624576 0.624576 0.624576 Ba\n0.624576 0.126272 0.624576 Ba\n0.624576 0.624576 0.126272 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Se"
],
"chemical_system": "Ba-Se-Zr",
"density": 4.8072238831428376,
"density_atomic": 0.024141849165070117,
"volume": 248.5310863710126,
"volume_molar": 24.94481975603259,
"formula_full": "Ba4 Zr1 Se1",
"formula_reduced": "Ba4ZrSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9512202911111112,
"spacegroup": 216
},
{
"id": "jvasp-85884",
"created_at": "2022-09-04T14:36:19.254227Z",
"updated_at": "2022-09-04T14:36:19.254243Z",
"structure_string": "Ti9 Ni9\n1.0\n7.271455 -0.000001 0.000000\n-3.635727 6.297266 -0.000000\n0.000000 -0.000000 5.323757\nTi Ni\n9 9\ndirect\n0.000000 0.000000 0.000000 Ti\n0.986406 0.655666 0.653301 Ti\n0.669260 0.013595 0.653301 Ti\n0.655666 0.669260 0.346699 Ti\n0.344335 0.330740 0.653301 Ti\n0.330740 0.986406 0.346699 Ti\n0.666667 0.333333 0.953732 Ti\n0.333333 0.666667 0.046269 Ti\n0.013595 0.344335 0.346699 Ti\n0.973059 0.659946 0.140574 Ni\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.587990 Ni\n0.666667 0.333333 0.412011 Ni\n0.313113 0.973059 0.859426 Ni\n0.026942 0.340055 0.859426 Ni\n0.659946 0.686888 0.859426 Ni\n0.686888 0.026942 0.140574 Ni\n0.340055 0.313113 0.140574 Ni\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.532747914963677,
"density_atomic": 0.07383817535801898,
"volume": 243.7763380896595,
"volume_molar": 8.155863455184884,
"formula_full": "Ti9 Ni9",
"formula_reduced": "TiNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.4206953666666666,
"spacegroup": 147
},
{
"id": "jvasp-90062",
"created_at": "2022-09-04T14:36:19.259069Z",
"updated_at": "2022-09-04T14:36:19.259079Z",
"structure_string": "Sc3 Si3 Ru3\n1.0\n0.000000 0.000000 -3.399136\n-3.454955 -5.984158 0.000000\n-3.454985 5.984175 0.000000\nSc Si Ru\n3 3 3\ndirect\n0.500001 0.598088 -0.000000 Sc\n0.500001 0.401891 0.401901 Sc\n0.500001 -0.000011 0.598099 Sc\n0.000000 0.333322 0.666665 Si\n0.000000 0.666657 0.333334 Si\n0.500001 -0.000014 0.000000 Si\n0.000000 0.252403 -0.000000 Ru\n0.000000 0.747572 0.747584 Ru\n0.000000 0.999987 0.252414 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ru"
],
"chemical_system": "Ru-Sc-Si",
"density": 6.170936872387151,
"density_atomic": 0.0640318461367117,
"volume": 140.55506038018143,
"volume_molar": 9.404915090441687,
"formula_full": "Sc3 Si3 Ru3",
"formula_reduced": "ScSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.732778116666667,
"spacegroup": 189
},
{
"id": "jvasp-73709",
"created_at": "2022-09-04T14:36:19.261958Z",
"updated_at": "2022-09-04T14:36:19.261979Z",
"structure_string": "Be2 Cr1 Cu1\n1.0\n-1.925893 1.925893 2.723697\n1.925893 -1.925893 2.723697\n1.925893 1.925893 -2.723697\nBe Cr Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.749999 0.499999 Cr\n0.749999 0.250000 0.499999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Cu"
],
"chemical_system": "Be-Cr-Cu",
"density": 5.488623403484841,
"density_atomic": 0.0989867118915074,
"volume": 40.4094642964212,
"volume_molar": 6.083787050731071,
"formula_full": "Be2 Cr1 Cu1",
"formula_reduced": "Be2CrCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0280900125,
"spacegroup": 225
},
{
"id": "jvasp-14866",
"created_at": "2022-09-04T14:36:19.262005Z",
"updated_at": "2022-09-04T14:36:19.262031Z",
"structure_string": "Mo1 P1\n1.0\n1.628257 -2.820224 0.000000\n1.628257 2.820224 -0.000000\n0.000000 -0.000000 3.207186\nMo P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333334 0.666668 0.500001 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 7.154793669441035,
"density_atomic": 0.06789992499161884,
"volume": 29.45511354021183,
"volume_molar": 8.869141992046877,
"formula_full": "Mo1 P1",
"formula_reduced": "MoP",
"formula_anonymous": "AB",
"energy_above_hull": 2.6673157000000005,
"spacegroup": 187
},
{
"id": "jvasp-92526",
"created_at": "2022-09-04T14:36:19.262618Z",
"updated_at": "2022-09-04T14:36:19.262645Z",
"structure_string": "Ba1 Sn3 Au1\n1.0\n5.109643 -0.000000 -0.000000\n-0.000000 5.109643 -0.000000\n-2.554821 -2.554821 5.623907\nBa Sn Au\n1 3 1\ndirect\n-0.000457 -0.000457 -0.000914 Ba\n0.600911 0.600911 0.201823 Sn\n0.249902 0.749901 0.499804 Sn\n0.749901 0.249902 0.499804 Sn\n0.357632 0.357632 0.715263 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Au"
],
"chemical_system": "Au-Ba-Sn",
"density": 7.8081016702154145,
"density_atomic": 0.03405263772410262,
"volume": 146.83150364181554,
"volume_molar": 17.684799658669313,
"formula_full": "Ba1 Sn3 Au1",
"formula_reduced": "BaSn3Au",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.196739728,
"spacegroup": 107
},
{
"id": "jvasp-66691",
"created_at": "2022-09-04T14:36:19.265016Z",
"updated_at": "2022-09-04T14:36:19.265046Z",
"structure_string": "Be2 In1 Ga1\n1.0\n3.274055 0.000000 0.000000\n0.000000 3.274055 0.000000\n-0.000000 -0.000000 5.795332\nBe In Ga\n2 1 1\ndirect\n0.000000 0.000000 0.812255 Be\n0.000000 0.000000 0.187745 Be\n0.500001 0.500001 0.500000 In\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Ga"
],
"chemical_system": "Be-Ga-In",
"density": 5.414570641005485,
"density_atomic": 0.06438871073016579,
"volume": 62.122691301629374,
"volume_molar": 9.352789785210994,
"formula_full": "Be2 In1 Ga1",
"formula_reduced": "Be2InGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8203595381250001,
"spacegroup": 123
},
{
"id": "jvasp-66664",
"created_at": "2022-09-04T14:36:19.266645Z",
"updated_at": "2022-09-04T14:36:19.266671Z",
"structure_string": "Ba1 Y1 Se1\n1.0\n-0.000000 3.852710 3.852710\n3.852710 -0.000000 3.852710\n3.852710 3.852710 -0.000000\nBa Y Se\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Se"
],
"chemical_system": "Ba-Se-Y",
"density": 4.4309259910024945,
"density_atomic": 0.02622963810342951,
"volume": 114.37443353851504,
"volume_molar": 22.959297937140082,
"formula_full": "Ba1 Y1 Se1",
"formula_reduced": "BaYSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2449215955555557,
"spacegroup": 216
}
]
}