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=3405",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3403",
"results": [
{
"id": "jvasp-78633",
"created_at": "2022-09-04T14:37:11.707437Z",
"updated_at": "2022-09-04T14:37:11.707465Z",
"structure_string": "Y1 O1 F1\n1.0\n3.820079 -0.000000 -0.000000\n1.910040 3.308285 -0.000000\n1.910040 1.102762 3.119080\nY O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.249999 0.250000 O\n0.750001 0.749998 0.750000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"O",
"F"
],
"chemical_system": "F-O-Y",
"density": 5.219530441088706,
"density_atomic": 0.07610610232161476,
"volume": 39.41865249283664,
"volume_molar": 7.9128224627129065,
"formula_full": "Y1 O1 F1",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1633997441666665,
"spacegroup": 216
},
{
"id": "jvasp-119653",
"created_at": "2022-09-04T14:38:26.067016Z",
"updated_at": "2022-09-04T14:38:26.067028Z",
"structure_string": "Mn8 Ga6 Cu4\n1.0\n4.168525 -0.000000 0.000000\n-2.084262 3.610049 0.000000\n-0.000000 -0.000000 15.715824\nMn Ga Cu\n8 6 4\ndirect\n0.666666 0.333333 0.657795 Mn\n0.666666 0.333333 0.342205 Mn\n0.333333 0.666667 0.086515 Mn\n0.333333 0.666667 0.744307 Mn\n0.333333 0.666667 0.414817 Mn\n0.333333 0.666667 0.255693 Mn\n0.333333 0.666667 0.913485 Mn\n0.333333 0.666667 0.585182 Mn\n0.666666 0.333333 0.500000 Ga\n0.666666 0.333333 0.822529 Ga\n0.666666 0.333333 0.177471 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.670722 Ga\n0.000000 0.000000 0.329278 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.162488 Cu\n0.000000 0.000000 0.837512 Cu\n0.666666 0.333333 -0.000000 Cu\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Mn",
"density": 7.807850980243836,
"density_atomic": 0.07610967043468882,
"volume": 236.50082699341274,
"volume_molar": 7.912451500059661,
"formula_full": "Mn8 Ga6 Cu4",
"formula_reduced": "Mn4Ga3Cu2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.945597426724138,
"spacegroup": 187
},
{
"id": "jvasp-43118",
"created_at": "2022-09-04T14:37:37.321518Z",
"updated_at": "2022-09-04T14:37:37.321544Z",
"structure_string": "V4 Co1 Ni1 O12\n1.0\n6.647680 -0.016865 -0.090811\n-0.724682 6.608084 0.090811\n-1.461071 1.312948 5.421267\nV Co Ni O\n4 1 1 12\ndirect\n0.201058 0.610638 0.760417 V\n0.390064 0.797295 0.262355 V\n0.610639 0.201057 0.739584 V\n0.797296 0.390063 0.237645 V\n0.083045 0.083045 0.750000 Co\n0.917904 0.917902 0.250000 Ni\n0.809235 0.028073 0.861023 O\n0.621794 0.342852 0.435082 O\n0.626526 0.917075 0.270820 O\n0.655016 0.378620 0.932626 O\n0.342852 0.621793 0.064918 O\n0.193779 0.971744 0.143225 O\n0.378621 0.655016 0.567375 O\n0.917076 0.626525 0.229180 O\n0.083544 0.371739 0.770979 O\n0.028074 0.809234 0.638978 O\n0.371739 0.083543 0.729022 O\n0.971745 0.193778 0.356776 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"V",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O-V",
"density": 3.6046249915047417,
"density_atomic": 0.07610969604626686,
"volume": 236.50074740881706,
"volume_molar": 7.912448837450564,
"formula_full": "V4 Co1 Ni1 O12",
"formula_reduced": "V4CoNiO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.4234278944444445,
"spacegroup": 5
},
{
"id": "jvasp-14632",
"created_at": "2022-09-04T14:36:13.030706Z",
"updated_at": "2022-09-04T14:36:13.030733Z",
"structure_string": "Tm1 C2\n1.0\n3.202203 0.000000 -1.632977\n-0.832744 3.092029 -1.632977\n0.007411 0.009671 3.970718\nTm C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.606350 0.606350 0.212699 C\n0.393650 0.393650 0.787301 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"C"
],
"chemical_system": "C-Tm",
"density": 8.128852097970247,
"density_atomic": 0.07611039383843042,
"volume": 39.416429855408396,
"volume_molar": 7.9123762948645275,
"formula_full": "Tm1 C2",
"formula_reduced": "TmC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.851028083333333,
"spacegroup": 139
},
{
"id": "jvasp-38647",
"created_at": "2022-09-04T14:38:00.416272Z",
"updated_at": "2022-09-04T14:38:00.416300Z",
"structure_string": "Ni3 Sb1\n1.0\n3.745749 0.000000 0.000000\n0.000000 3.745749 0.000000\n0.000000 -0.000000 3.745749\nNi Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb",
"density": 9.410580098465939,
"density_atomic": 0.07611039477652932,
"volume": 52.55523915944142,
"volume_molar": 7.912376197340508,
"formula_full": "Ni3 Sb1",
"formula_reduced": "Ni3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1558508250000004,
"spacegroup": 221
},
{
"id": "jvasp-38043",
"created_at": "2022-09-04T14:37:58.777945Z",
"updated_at": "2022-09-04T14:37:58.777972Z",
"structure_string": "Y2 W2 N6\n1.0\n3.596727 0.000000 0.000000\n0.000000 5.996614 0.000000\n0.000000 0.000000 6.091617\nY W N\n2 2 6\ndirect\n0.000000 0.153248 0.290258 Y\n0.000000 0.846751 0.790258 Y\n0.500000 0.690607 0.318903 W\n0.500000 0.309392 0.818903 W\n0.500000 0.104551 0.585209 N\n0.500000 0.585975 0.693371 N\n0.000000 0.772501 0.416791 N\n0.500000 0.895449 0.085209 N\n0.000000 0.227499 0.916791 N\n0.500000 0.414024 0.193371 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 7.956474584338338,
"density_atomic": 0.07611212381263978,
"volume": 131.38511316037304,
"volume_molar": 7.912196452202949,
"formula_full": "Y2 W2 N6",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36269904,
"spacegroup": 26
},
{
"id": "jvasp-68097",
"created_at": "2022-09-04T14:35:44.589288Z",
"updated_at": "2022-09-04T14:35:44.589310Z",
"structure_string": "Be1 Tc2 Ru1\n1.0\n-1.800821 1.800821 4.051129\n1.800821 -1.800821 4.051129\n1.800821 1.800821 -4.051129\nBe Tc Ru\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tc\n0.250000 0.750000 0.500000 Tc\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Ru"
],
"chemical_system": "Be-Ru-Tc",
"density": 9.671859727054908,
"density_atomic": 0.07611720529021605,
"volume": 52.550536829997775,
"volume_molar": 7.911668245095269,
"formula_full": "Be1 Tc2 Ru1",
"formula_reduced": "BeTc2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.3327099,
"spacegroup": 119
},
{
"id": "jvasp-109137",
"created_at": "2022-09-04T14:38:03.323186Z",
"updated_at": "2022-09-04T14:38:03.323207Z",
"structure_string": "Ti2 C1\n1.0\n2.934872 -0.002004 4.189105\n1.319955 2.621297 4.189105\n-0.003255 -0.002004 5.114887\nTi C\n2 1\ndirect\n0.246353 0.246356 0.246356 Ti\n0.753641 0.753648 0.753648 Ti\n0.499997 0.500002 0.500002 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 4.539524738002005,
"density_atomic": 0.07611787020205404,
"volume": 39.4125583392774,
"volume_molar": 7.911599134361345,
"formula_full": "Ti2 C1",
"formula_reduced": "Ti2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.823288888888889,
"spacegroup": 166
},
{
"id": "jvasp-64929",
"created_at": "2022-09-04T14:36:18.438195Z",
"updated_at": "2022-09-04T14:36:18.438227Z",
"structure_string": "Be1 Co4 Pb1\n1.0\n0.000000 3.403109 3.403109\n3.403109 0.000000 3.403109\n3.403109 3.403109 0.000000\nBe Co Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.373829 0.373829 0.373829 Co\n0.373829 0.878514 0.373829 Co\n0.373829 0.373829 0.878514 Co\n0.878514 0.373829 0.373829 Co\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Pb"
],
"chemical_system": "Be-Co-Pb",
"density": 9.520879588051947,
"density_atomic": 0.07611910548268101,
"volume": 78.82383748407486,
"volume_molar": 7.911470742874384,
"formula_full": "Be1 Co4 Pb1",
"formula_reduced": "BeCo4Pb",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8890900866666662,
"spacegroup": 216
},
{
"id": "jvasp-94933",
"created_at": "2022-09-04T14:35:58.001631Z",
"updated_at": "2022-09-04T14:35:58.001656Z",
"structure_string": "Er2 Cr2 C3\n1.0\n-0.000000 -3.344577 0.000000\n-4.987427 1.672289 1.462235\n-0.028126 0.000000 -5.504733\nEr Cr C\n2 2 3\ndirect\n0.393339 0.786677 0.183608 Er\n0.606662 0.213325 0.816391 Er\n0.155967 0.311934 0.386890 Cr\n0.844035 0.688067 0.613110 Cr\n0.000000 0.000000 0.500000 C\n0.716128 0.432256 0.266683 C\n0.283873 0.567746 0.733316 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Cr",
"C"
],
"chemical_system": "C-Cr-Er",
"density": 8.568798520935212,
"density_atomic": 0.07611915228313486,
"volume": 91.9610871908112,
"volume_molar": 7.9114658786528285,
"formula_full": "Er2 Cr2 C3",
"formula_reduced": "Er2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.895603542857143,
"spacegroup": 12
},
{
"id": "jvasp-57496",
"created_at": "2022-09-04T14:36:35.804298Z",
"updated_at": "2022-09-04T14:36:35.804320Z",
"structure_string": "Ge4 Pb1 O9\n1.0\n4.589984 0.000877 -1.070866\n-2.285963 5.820709 -2.883362\n-0.005559 -0.002899 6.886219\nGe Pb O\n4 1 9\ndirect\n0.500000 0.487387 0.512613 Ge\n0.679991 0.486945 0.069132 Ge\n0.000000 0.307910 0.692090 Ge\n0.320009 0.930868 0.513055 Ge\n-0.000000 -0.002985 0.002985 Pb\n0.605239 0.091497 0.456557 O\n0.394761 0.543443 0.908504 O\n0.840570 0.285411 0.922441 O\n0.866188 0.555183 0.713614 O\n0.159429 0.077559 0.714590 O\n0.133812 0.286386 0.444817 O\n0.513299 0.375437 0.227758 O\n0.000000 0.756119 0.243881 O\n0.486701 0.772242 0.624564 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"O"
],
"chemical_system": "Ge-O-Pb",
"density": 5.794376610083843,
"density_atomic": 0.07612313523613153,
"volume": 183.9125511130414,
"volume_molar": 7.9110519309530725,
"formula_full": "Ge4 Pb1 O9",
"formula_reduced": "Ge4PbO9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.09961758,
"spacegroup": 5
},
{
"id": "jvasp-42732",
"created_at": "2022-09-04T14:37:30.010166Z",
"updated_at": "2022-09-04T14:37:30.010186Z",
"structure_string": "Li2 V2 O2 F8\n1.0\n0.000000 4.078577 -0.000970\n9.511135 0.000000 0.000000\n0.000000 -2.040056 -4.740477\nLi V O F\n2 2 2 8\ndirect\n0.745111 0.508791 0.988215 Li\n0.254889 0.008792 0.011785 Li\n0.848914 0.258738 0.499266 V\n0.151086 0.758738 0.500734 V\n0.757007 0.758719 0.500813 O\n0.242993 0.258720 0.499187 O\n0.627737 0.123161 0.236961 F\n0.624130 0.390054 0.226326 F\n0.896923 0.127423 0.772188 F\n0.890087 0.394347 0.761525 F\n0.109913 0.894346 0.238475 F\n0.103077 0.627423 0.227813 F\n0.375871 0.890054 0.773675 F\n0.372263 0.623161 0.763039 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.7064641092584987,
"density_atomic": 0.07612381282496354,
"volume": 183.91091408139414,
"volume_molar": 7.910981513560156,
"formula_full": "Li2 V2 O2 F8",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7055298328571434,
"spacegroup": 20
}
]
}