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=4498",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4496",
"results": [
{
"id": "jvasp-119496",
"created_at": "2022-09-04T14:38:51.473952Z",
"updated_at": "2022-09-04T14:38:51.473974Z",
"structure_string": "Li2 Al2 Si4 O13\n1.0\n4.937515 0.009214 0.025863\n0.082666 6.881855 3.144209\n-0.031246 -0.000508 8.644365\nLi Al Si O\n2 2 4 13\ndirect\n0.105102 0.125983 0.696599 Li\n0.624877 0.838219 0.301130 Li\n0.101691 0.074723 0.365415 Al\n0.631130 0.094318 0.888700 Al\n0.132856 0.905651 0.095759 Si\n0.170143 0.503021 0.084146 Si\n0.676715 0.514238 0.866882 Si\n0.595293 0.937847 0.606874 Si\n0.805296 0.944096 0.078525 O\n0.777279 0.974138 0.436738 O\n0.054082 0.318248 0.240320 O\n0.725386 0.335076 0.814860 O\n0.220890 0.681025 0.141686 O\n0.279732 0.049281 0.917233 O\n0.957608 0.583226 0.923602 O\n0.460401 0.448298 0.023559 O\n0.744115 0.030329 0.723612 O\n0.298789 0.043052 0.545969 O\n0.552468 0.703980 0.706240 O\n0.250915 0.944875 0.256192 O\n0.920642 0.668461 0.460768 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.1944495168169276,
"density_atomic": 0.07149298736357206,
"volume": 293.735102901857,
"volume_molar": 8.42340064680032,
"formula_full": "Li2 Al2 Si4 O13",
"formula_reduced": "Li2Al2Si4O13",
"formula_anonymous": "A2B2C4D13",
"energy_above_hull": 2.807798357142857,
"spacegroup": 1
},
{
"id": "jvasp-118405",
"created_at": "2022-09-04T14:38:51.474541Z",
"updated_at": "2022-09-04T14:38:51.474561Z",
"structure_string": "H1 F1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nH F\n1 1\ndirect\n0.000000 0.000000 0.920490 H\n0.000000 0.000000 0.079509 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"F"
],
"chemical_system": "F-H",
"density": 0.16013467868178127,
"density_atomic": 0.009640478185062007,
"volume": 207.45858883836436,
"volume_molar": 62.46724119277975,
"formula_full": "H1 F1",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"energy_above_hull": 0.40128014125,
"spacegroup": 99
},
{
"id": "jvasp-120585",
"created_at": "2022-09-04T14:38:51.475857Z",
"updated_at": "2022-09-04T14:38:51.475877Z",
"structure_string": "V4 S4 O16\n1.0\n4.780022 -0.000004 0.000001\n0.000007 8.810249 0.000238\n-0.000002 -0.000165 6.695697\nV S O\n4 4 16\ndirect\n-0.000001 -0.000000 0.500001 V\n0.500000 0.500000 0.500002 V\n-0.000001 0.000000 -0.000002 V\n0.500003 0.500000 0.000001 V\n0.490459 0.178425 0.249999 S\n0.990463 0.321575 0.750001 S\n0.009541 0.678425 0.250000 S\n0.509537 0.821575 0.750001 S\n0.143221 0.626441 0.434875 O\n0.143221 0.626441 0.065126 O\n0.856783 0.373560 0.565127 O\n0.856785 0.373559 0.934876 O\n0.356779 0.126439 0.434873 O\n0.356779 0.126442 0.065124 O\n0.024871 0.850538 0.249999 O\n0.207847 0.874716 0.750000 O\n0.475129 0.350538 0.250000 O\n0.975127 0.149463 0.749999 O\n0.643216 0.873559 0.565126 O\n0.707850 0.625282 0.250001 O\n0.292155 0.374715 0.750002 O\n0.792150 0.125283 0.250000 O\n0.524872 0.649462 0.750001 O\n0.643216 0.873560 0.934875 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"S",
"O"
],
"chemical_system": "O-S-V",
"density": 3.4627781257407757,
"density_atomic": 0.08511328854528438,
"volume": 281.9771202616715,
"volume_molar": 7.075441288813474,
"formula_full": "V4 S4 O16",
"formula_reduced": "VSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6770547,
"spacegroup": 62
},
{
"id": "jvasp-120987",
"created_at": "2022-09-04T14:38:51.475978Z",
"updated_at": "2022-09-04T14:38:51.476007Z",
"structure_string": "Ca1 Al2 As2\n1.0\n4.508961 -0.000000 0.000000\n-2.254481 3.904875 -0.000000\n-0.000000 -0.000000 6.387992\nCa Al As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333335 0.666668 0.342881 Al\n0.666668 0.333334 0.657119 Al\n0.666668 0.333334 0.262371 As\n0.333335 0.666668 0.737629 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Al",
"As"
],
"chemical_system": "Al-As-Ca",
"density": 3.6006832784206764,
"density_atomic": 0.04445514444651754,
"volume": 112.47292213874883,
"volume_molar": 13.546555376161313,
"formula_full": "Ca1 Al2 As2",
"formula_reduced": "Ca(AlAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.502485904,
"spacegroup": 164
},
{
"id": "jvasp-117201",
"created_at": "2022-09-04T14:38:51.476130Z",
"updated_at": "2022-09-04T14:38:51.476151Z",
"structure_string": "Mn1 Zn3 Fe8 O16\n1.0\n5.749935 -0.000000 0.000000\n0.000000 5.749935 0.000000\n-0.000000 -0.000000 8.128060\nMn Zn Fe O\n1 3 8 16\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.747918 Zn\n-0.000000 0.500000 0.252082 Zn\n-0.000000 0.746865 0.876807 Fe\n0.500000 0.251562 0.371325 Fe\n0.746865 0.000000 0.123193 Fe\n0.251562 0.500000 0.628675 Fe\n0.253135 0.000000 0.123193 Fe\n-0.000000 0.253135 0.876807 Fe\n0.500000 0.748439 0.371325 Fe\n0.748439 0.500000 0.628675 Fe\n0.500000 0.237482 0.128375 O\n0.762519 0.500000 0.871625 O\n0.277426 0.000000 0.359039 O\n0.237482 0.500000 0.871625 O\n0.722575 0.000000 0.359039 O\n-0.000000 0.722575 0.640961 O\n-0.000000 0.222158 0.113223 O\n-0.000000 0.777843 0.113223 O\n0.222158 0.000000 0.886777 O\n0.724495 0.500000 0.390899 O\n0.777843 0.000000 0.886777 O\n0.275506 0.500000 0.390899 O\n0.500000 0.762519 0.128375 O\n0.500000 0.275506 0.609101 O\n0.500000 0.724495 0.609101 O\n-0.000000 0.277426 0.640961 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Mn",
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O-Zn",
"density": 5.894489612537579,
"density_atomic": 0.10419461157641043,
"volume": 268.727908059491,
"volume_molar": 5.779704601694976,
"formula_full": "Mn1 Zn3 Fe8 O16",
"formula_reduced": "MnZn3(FeO2)8",
"formula_anonymous": "AB3C8D16",
"energy_above_hull": 2.9529035157635466,
"spacegroup": 115
},
{
"id": "jvasp-117601",
"created_at": "2022-09-04T14:38:51.478091Z",
"updated_at": "2022-09-04T14:38:51.478118Z",
"structure_string": "Ba1 Mg1 Se1\n1.0\n3.767202 0.000000 0.000000\n0.000000 3.767202 -0.000000\n0.000000 -0.000000 9.052313\nBa Mg Se\n1 1 1\ndirect\n0.000000 0.000000 0.317888 Ba\n0.000000 0.000000 0.720985 Mg\n0.000000 0.000000 -0.006976 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Se"
],
"chemical_system": "Ba-Mg-Se",
"density": 3.1098031690378236,
"density_atomic": 0.023351988960121365,
"volume": 128.46871438330828,
"volume_molar": 25.7885560424173,
"formula_full": "Ba1 Mg1 Se1",
"formula_reduced": "BaMgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1236133333333333,
"spacegroup": 99
},
{
"id": "jvasp-119051",
"created_at": "2022-09-04T14:38:51.479369Z",
"updated_at": "2022-09-04T14:38:51.479395Z",
"structure_string": "Nb8 Pt1 Se20\n1.0\n9.981286 -0.026062 2.866787\n9.385786 3.396139 2.866787\n0.170818 0.029724 19.585460\nNb Pt Se\n8 1 20\ndirect\n0.077720 0.077720 0.091587 Nb\n0.922281 0.922280 0.908414 Nb\n0.329966 0.329965 0.811251 Nb\n0.670035 0.670035 0.188749 Nb\n0.269883 0.269883 0.279525 Nb\n0.730118 0.730117 0.720475 Nb\n0.150336 0.150335 0.556529 Nb\n0.849665 0.849665 0.443472 Nb\n0.500000 0.500000 0.000000 Pt\n0.793069 0.793067 0.914867 Se\n0.206932 0.206932 0.085133 Se\n0.522573 0.522572 0.867964 Se\n0.477428 0.477428 0.132036 Se\n0.668791 0.668791 0.324102 Se\n0.331210 0.331209 0.675898 Se\n0.744483 0.744482 0.572440 Se\n0.255518 0.255517 0.427560 Se\n0.801655 0.801656 0.173934 Se\n0.861700 0.861701 0.300757 Se\n0.623020 0.623018 0.987884 Se\n0.376982 0.376982 0.012116 Se\n0.069452 0.069452 0.229068 Se\n0.138301 0.138299 0.699243 Se\n0.595956 0.595956 0.483196 Se\n0.404045 0.404044 0.516804 Se\n0.549316 0.549315 0.611446 Se\n0.450685 0.450684 0.388554 Se\n0.198346 0.198344 0.826066 Se\n0.930549 0.930548 0.770932 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Pt",
"Se"
],
"chemical_system": "Nb-Pt-Se",
"density": 6.2678560342581315,
"density_atomic": 0.043480285705501005,
"volume": 666.9689384384841,
"volume_molar": 13.850278723532158,
"formula_full": "Nb8 Pt1 Se20",
"formula_reduced": "Nb8PtSe20",
"formula_anonymous": "AB8C20",
"energy_above_hull": 3.2702549632183917,
"spacegroup": 12
},
{
"id": "jvasp-119064",
"created_at": "2022-09-04T14:38:51.483827Z",
"updated_at": "2022-09-04T14:38:51.483836Z",
"structure_string": "U6 V2 Sb10\n1.0\n9.130505 -0.000000 0.000000\n-4.565253 7.907249 0.000000\n0.000000 0.000000 6.139811\nU V Sb\n6 2 10\ndirect\n0.389047 0.389047 0.750000 U\n0.610953 0.000000 0.750000 U\n0.000000 0.610953 0.750000 U\n0.610954 0.610953 0.250000 U\n0.389047 0.000000 0.250000 U\n0.000000 0.389047 0.250000 U\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.333334 0.666667 -0.000000 Sb\n0.666667 0.333333 -0.000000 Sb\n0.000000 0.744178 0.250000 Sb\n0.744178 0.000000 0.250000 Sb\n0.744178 0.744178 0.750000 Sb\n0.000000 0.255822 0.750000 Sb\n0.255823 0.000000 0.750000 Sb\n0.333334 0.666667 0.500000 Sb\n0.255823 0.255822 0.250000 Sb\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"V",
"Sb"
],
"chemical_system": "Sb-U-V",
"density": 10.292865864109718,
"density_atomic": 0.04060666184665577,
"volume": 443.27701863241,
"volume_molar": 14.830425565986197,
"formula_full": "U6 V2 Sb10",
"formula_reduced": "U3VSb5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.954285855555556,
"spacegroup": 193
},
{
"id": "jvasp-119506",
"created_at": "2022-09-04T14:38:51.487459Z",
"updated_at": "2022-09-04T14:38:51.487485Z",
"structure_string": "Ca8 Yb3 Se12\n1.0\n5.889571 0.000000 0.000000\n0.000000 5.889571 0.000000\n-0.000000 -0.000000 17.730016\nYb Ca Se\n3 8 12\ndirect\n-0.000000 0.500000 0.164703 Yb\n0.500000 0.500000 -0.000000 Yb\n0.500000 -0.000000 0.835297 Yb\n0.000000 0.000000 0.331701 Ca\n-0.000000 0.500000 0.499890 Ca\n0.000000 0.000000 0.668299 Ca\n-0.000000 0.500000 0.836238 Ca\n0.500000 -0.000000 0.163762 Ca\n0.500000 0.500000 0.332233 Ca\n0.500000 -0.000000 0.500111 Ca\n0.500000 0.500000 0.667767 Ca\n-0.000000 0.500000 0.666880 Se\n0.500000 -0.000000 0.999046 Se\n0.500000 0.500000 0.833840 Se\n0.000000 0.000000 0.500000 Se\n-0.000000 0.500000 0.332566 Se\n0.500000 0.500000 0.166160 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.165990 Se\n0.500000 -0.000000 0.333120 Se\n0.000000 0.000000 0.834011 Se\n0.500000 -0.000000 0.667434 Se\n-0.000000 0.500000 0.000954 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Se"
],
"chemical_system": "Ca-Se-Yb",
"density": 4.825711497507305,
"density_atomic": 0.0373982590176489,
"volume": 615.001890573192,
"volume_molar": 16.102730229121214,
"formula_full": "Ca8 Yb3 Se12",
"formula_reduced": "Ca8(YbSe4)3",
"formula_anonymous": "A3B8C12",
"energy_above_hull": 0.5138432982608696,
"spacegroup": 115
},
{
"id": "jvasp-119109",
"created_at": "2022-09-04T14:38:51.490965Z",
"updated_at": "2022-09-04T14:38:51.490990Z",
"structure_string": "Dy4 Mo4 O20\n1.0\n12.444645 0.000000 0.000000\n-0.000000 4.715951 2.417970\n-0.000000 0.025128 6.865394\nDy Mo O\n4 4 20\ndirect\n0.059475 0.657160 0.716779 Dy\n0.940526 0.342840 0.283221 Dy\n0.559475 0.342841 0.783220 Dy\n0.440525 0.657160 0.216779 Dy\n0.363729 0.913270 0.647817 Mo\n0.636272 0.086730 0.352183 Mo\n0.863729 0.086730 0.852183 Mo\n0.136271 0.913270 0.147817 Mo\n0.057372 0.707269 0.041615 O\n0.236134 0.768794 0.737728 O\n0.763867 0.231206 0.262272 O\n0.339563 0.232147 0.415259 O\n0.263866 0.768794 0.237728 O\n0.660437 0.767853 0.584740 O\n0.942628 0.292731 0.958384 O\n0.736134 0.231206 0.762271 O\n0.557372 0.292731 0.458384 O\n0.078195 0.018486 0.343633 O\n0.578196 0.981514 0.156367 O\n0.421805 0.018487 0.843632 O\n0.160437 0.232148 0.915259 O\n0.921805 0.981514 0.656367 O\n0.057488 0.456892 0.486831 O\n0.942513 0.543108 0.513168 O\n0.557488 0.543108 0.013169 O\n0.442512 0.456893 0.986831 O\n0.442628 0.707269 0.541615 O\n0.839563 0.767853 0.084741 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"Mo",
"O"
],
"chemical_system": "Dy-Mo-O",
"density": 5.589660491097884,
"density_atomic": 0.06962360971981334,
"volume": 402.1624289904035,
"volume_molar": 8.64956698487041,
"formula_full": "Dy4 Mo4 O20",
"formula_reduced": "DyMoO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.7902057,
"spacegroup": 14
},
{
"id": "jvasp-117777",
"created_at": "2022-09-04T14:38:51.494060Z",
"updated_at": "2022-09-04T14:38:51.494073Z",
"structure_string": "Cd1 Se1 Br1\n1.0\n5.266949 -0.000000 -0.000000\n-2.633475 4.561312 0.000000\n0.000000 -0.000000 3.324909\nCd Se Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Se",
"Br"
],
"chemical_system": "Br-Cd-Se",
"density": 5.639365114359407,
"density_atomic": 0.03755714739003822,
"volume": 79.87827107432898,
"volume_molar": 16.034606402501517,
"formula_full": "Cd1 Se1 Br1",
"formula_reduced": "CdSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0361966666666666,
"spacegroup": 187
},
{
"id": "jvasp-123533",
"created_at": "2022-09-04T14:38:51.494913Z",
"updated_at": "2022-09-04T14:38:51.494933Z",
"structure_string": "U3 Ta1\n1.0\n2.869988 0.000000 0.000000\n0.000000 5.665655 0.000000\n0.000000 0.000000 5.039193\nU Ta\n3 1\ndirect\n0.500000 0.389491 0.250000 U\n0.500000 0.606743 0.749999 U\n0.000000 0.891463 0.250000 U\n0.000000 0.112301 0.749999 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Ta"
],
"chemical_system": "Ta-U",
"density": 18.13834793786708,
"density_atomic": 0.04881674216975339,
"volume": 81.93910167316287,
"volume_molar": 12.336220100593458,
"formula_full": "U3 Ta1",
"formula_reduced": "U3Ta",
"formula_anonymous": "AB3",
"energy_above_hull": 6.1863693,
"spacegroup": 25
}
]
}