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=density&page=3587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=3585",
"results": [
{
"id": "jvasp-55106",
"created_at": "2022-09-04T14:38:34.158883Z",
"updated_at": "2022-09-04T14:38:34.158912Z",
"structure_string": "Ce1 P2 Ru2\n1.0\n3.822437 -0.000000 -1.416113\n-0.524633 3.786263 -1.416113\n-0.067391 -0.077374 5.684999\nCe P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.374274 0.374273 0.748546 P\n0.625728 0.625727 0.251456 P\n0.250001 0.750000 0.500001 Ru\n0.750001 0.250000 0.500001 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"P",
"Ru"
],
"chemical_system": "Ce-P-Ru",
"density": 8.241604688762985,
"density_atomic": 0.06139494164969041,
"volume": 81.43993406703096,
"volume_molar": 9.808854928735594,
"formula_full": "Ce1 P2 Ru2",
"formula_reduced": "Ce(PRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.4552955,
"spacegroup": 139
},
{
"id": "jvasp-20638",
"created_at": "2022-09-04T14:38:08.337939Z",
"updated_at": "2022-09-04T14:38:08.337974Z",
"structure_string": "Zr2 Ni4\n1.0\n4.258212 -0.000000 2.458480\n1.419404 4.014681 2.458480\n-0.000000 -0.000000 4.916959\nZr Ni\n2 4\ndirect\n0.874999 0.875000 0.875001 Zr\n0.125000 0.125000 0.125000 Zr\n0.499999 0.500000 0.500000 Ni\n0.499999 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 8.24215870237087,
"density_atomic": 0.0713799667453784,
"volume": 84.05719802872392,
"volume_molar": 8.4367379736695,
"formula_full": "Zr2 Ni4",
"formula_reduced": "ZrNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7430031000000004,
"spacegroup": 227
},
{
"id": "jvasp-99399",
"created_at": "2022-09-04T14:36:38.371762Z",
"updated_at": "2022-09-04T14:36:38.371786Z",
"structure_string": "Th1 Zr3\n1.0\n3.294649 -0.000000 0.000000\n0.000000 3.294649 0.000000\n-0.000000 -0.000000 9.385979\nTh Zr\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.730666 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.269334 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.24238328067887,
"density_atomic": 0.039261067759871864,
"volume": 101.8820991946719,
"volume_molar": 15.33870855686492,
"formula_full": "Th1 Zr3",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.092504775,
"spacegroup": 123
},
{
"id": "jvasp-35100",
"created_at": "2022-09-04T14:37:36.570142Z",
"updated_at": "2022-09-04T14:37:36.570164Z",
"structure_string": "Th2 As2 S2\n1.0\n4.040236 0.000000 0.000000\n0.000000 4.040236 0.000000\n0.000000 -0.000000 8.368372\nTh As S\n2 2 2\ndirect\n0.500001 0.000000 0.720050 Th\n0.000000 0.500001 0.279950 Th\n0.500001 0.500001 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500001 0.000000 0.367668 S\n0.000000 0.500001 0.632331 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"As",
"S"
],
"chemical_system": "As-S-Th",
"density": 8.242442695398717,
"density_atomic": 0.04392348639336008,
"volume": 136.60117838248425,
"volume_molar": 13.710525403353156,
"formula_full": "Th2 As2 S2",
"formula_reduced": "ThAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6941824499999996,
"spacegroup": 129
},
{
"id": "jvasp-9331",
"created_at": "2022-09-04T14:38:11.433261Z",
"updated_at": "2022-09-04T14:38:11.433292Z",
"structure_string": "Y1 Re1 W2 O8\n1.0\n-5.043371 0.046708 -0.041694\n-0.306702 -5.820685 -0.020259\n2.173297 2.235459 5.311744\nY Re W O\n1 1 2 8\ndirect\n0.525188 0.276414 0.900615 Y\n0.024427 0.776065 0.900033 Re\n0.280719 0.603352 0.418521 W\n0.768746 0.950885 0.382307 W\n0.324289 0.316474 0.181190 O\n0.259033 0.540101 0.694889 O\n0.367986 0.791452 0.203874 O\n0.173753 0.969504 0.579951 O\n0.788984 0.012264 0.104455 O\n0.728064 0.237423 0.621068 O\n0.681690 0.762886 0.596454 O\n0.877016 0.584686 0.220546 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Re",
"W",
"O"
],
"chemical_system": "O-Re-W-Y",
"density": 8.242805595717687,
"density_atomic": 0.07728091099266296,
"volume": 155.27767266019004,
"volume_molar": 7.7925333470405675,
"formula_full": "Y1 Re1 W2 O8",
"formula_reduced": "YRe(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.393930954166667,
"spacegroup": 2
},
{
"id": "jvasp-115288",
"created_at": "2022-09-04T14:38:44.030955Z",
"updated_at": "2022-09-04T14:38:44.030984Z",
"structure_string": "Te1 Pb1 O1\n1.0\n5.111765 -0.000000 0.000000\n-2.555883 4.426918 -0.000000\n-0.000000 -0.000000 3.122877\nTe Pb O\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Te\n0.333334 0.666666 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Te",
"Pb",
"O"
],
"chemical_system": "O-Pb-Te",
"density": 8.242912743434102,
"density_atomic": 0.04245159555333828,
"volume": 70.66872189128091,
"volume_molar": 14.185899685286234,
"formula_full": "Te1 Pb1 O1",
"formula_reduced": "TePbO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1502640288888892,
"spacegroup": 187
},
{
"id": "jvasp-14832",
"created_at": "2022-09-04T14:37:52.191451Z",
"updated_at": "2022-09-04T14:37:52.191476Z",
"structure_string": "Cd2\n1.0\n1.510302 -2.615919 -0.000000\n1.510302 2.615919 -0.000000\n0.000000 0.000000 5.731452\nCd\n2\ndirect\n0.333332 0.666667 0.250000 Cd\n0.666667 0.333332 0.750000 Cd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.24337694672669,
"density_atomic": 0.04416184922123514,
"volume": 45.28795861741913,
"volume_molar": 13.636523076357651,
"formula_full": "Cd2",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy_above_hull": 0.0099200000000001,
"spacegroup": 194
},
{
"id": "jvasp-849",
"created_at": "2022-09-04T14:38:20.448395Z",
"updated_at": "2022-09-04T14:38:20.448411Z",
"structure_string": "Cd2\n1.0\n1.510358 -2.616016 0.000000\n1.510358 2.616016 0.000000\n0.000000 0.000000 5.730476\nCd\n2\ndirect\n0.333334 0.666668 0.250000 Cd\n0.666668 0.333334 0.750001 Cd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.244169544109175,
"density_atomic": 0.044166095365300195,
"volume": 45.283604617023315,
"volume_molar": 13.635212056195014,
"formula_full": "Cd2",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy_above_hull": 0.0099200000000001,
"spacegroup": 194
},
{
"id": "jvasp-90659",
"created_at": "2022-09-04T14:35:59.493627Z",
"updated_at": "2022-09-04T14:35:59.493661Z",
"structure_string": "Mn6 Ge2\n1.0\n0.000000 -0.000000 -4.159790\n-2.576363 -4.462672 0.000000\n-2.576363 4.462672 -0.000000\nMn Ge\n6 2\ndirect\n0.750000 0.160365 0.320702 Mn\n0.750000 0.160376 0.839623 Mn\n0.750000 0.679297 0.839634 Mn\n0.250000 0.839634 0.679297 Mn\n0.250000 0.839623 0.160376 Mn\n0.250000 0.320702 0.160365 Mn\n0.750000 0.666672 0.333327 Ge\n0.250000 0.333327 0.666672 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 8.244330740267852,
"density_atomic": 0.08363471153205308,
"volume": 95.65406340803833,
"volume_molar": 7.200527926364652,
"formula_full": "Mn6 Ge2",
"formula_reduced": "Mn3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.377454418534483,
"spacegroup": 194
},
{
"id": "jvasp-50802",
"created_at": "2022-09-04T14:37:08.270596Z",
"updated_at": "2022-09-04T14:37:08.270623Z",
"structure_string": "Ta3 O7 F1\n1.0\n3.244634 5.395830 0.000000\n-3.244634 5.395830 0.000000\n0.000000 0.000000 3.875997\nTa O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.302188 0.302188 0.000000 Ta\n0.697812 0.697812 0.000000 Ta\n0.045295 0.662253 0.000000 O\n0.337747 0.954705 0.000000 O\n0.000000 0.000000 0.500000 O\n0.314191 0.314191 0.500000 O\n0.685809 0.685809 0.500000 O\n0.954705 0.337747 0.000000 O\n0.662253 0.045295 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 8.244552616047724,
"density_atomic": 0.08105042268371952,
"volume": 135.71798438269656,
"volume_molar": 7.43011641469164,
"formula_full": "Ta3 O7 F1",
"formula_reduced": "Ta3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.774667489318181,
"spacegroup": 65
},
{
"id": "jvasp-29350",
"created_at": "2022-09-04T14:38:39.325698Z",
"updated_at": "2022-09-04T14:38:39.325716Z",
"structure_string": "Ta13 Se26\n1.0\n8.600047 0.035571 1.957326\n-0.147919 9.167996 2.511693\n0.028436 0.035341 11.268757\nTa Se\n13 26\ndirect\n0.000000 0.000000 0.000000 Ta\n0.640479 0.849258 0.513302 Ta\n0.512104 0.638489 0.848179 Ta\n0.487897 0.361511 0.151821 Ta\n0.849221 0.513159 0.638571 Ta\n0.150780 0.486841 0.361429 Ta\n0.359522 0.150743 0.486698 Ta\n0.930714 0.786664 0.283119 Ta\n0.282051 0.930042 0.786417 Ta\n0.717950 0.069958 0.213583 Ta\n0.786311 0.282721 0.930377 Ta\n0.213690 0.717280 0.069624 Ta\n0.069287 0.213336 0.716881 Ta\n0.483193 0.342644 0.934407 Se\n0.516808 0.657356 0.065593 Se\n0.323820 0.878184 0.556497 Se\n0.676181 0.121816 0.443503 Se\n0.177483 0.421848 0.159181 Se\n0.596529 0.896196 0.749034 Se\n0.403472 0.103804 0.250966 Se\n0.082661 0.194244 0.476773 Se\n0.917340 0.805756 0.523227 Se\n0.140516 0.498395 0.602457 Se\n0.822518 0.578152 0.840819 Se\n0.859484 0.501606 0.397543 Se\n0.624288 0.794502 0.309465 Se\n0.223747 0.644622 0.856451 Se\n0.227432 0.753280 0.292777 Se\n0.772569 0.246720 0.707223 Se\n0.375712 0.205498 0.690535 Se\n0.554390 0.573537 0.628400 Se\n0.006901 0.058043 0.217829 Se\n-0.006900 0.941957 0.782171 Se\n0.304262 0.984284 0.993019 Se\n0.695739 0.015717 0.006981 Se\n0.079706 0.281917 0.919175 Se\n0.920295 0.718083 0.080825 Se\n0.776253 0.355379 0.143549 Se\n0.445610 0.426463 0.371600 Se\n",
"nsites": 39,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 8.244595661491381,
"density_atomic": 0.043955286290289095,
"volume": 887.2652936995237,
"volume_molar": 13.70060638492634,
"formula_full": "Ta13 Se26",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.535368644444444,
"spacegroup": 2
},
{
"id": "jvasp-59737",
"created_at": "2022-09-04T14:37:03.242294Z",
"updated_at": "2022-09-04T14:37:03.242321Z",
"structure_string": "Ta4 Cu2 O12\n1.0\n4.776571 0.000000 0.000000\n-0.000000 4.776571 0.000000\n0.000000 0.000000 9.205975\nTa Cu O\n4 2 12\ndirect\n0.000000 0.000000 0.668236 Ta\n0.500000 0.500000 0.168236 Ta\n0.500000 0.500000 0.831764 Ta\n0.000000 0.000000 0.331764 Ta\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.689635 0.689635 0.000000 O\n0.810365 0.189635 0.500000 O\n0.189635 0.810365 0.500000 O\n0.310365 0.310365 0.000000 O\n0.796257 0.203743 0.824230 O\n0.703743 0.703743 0.324230 O\n0.203743 0.796257 0.175770 O\n0.296257 0.296257 0.324230 O\n0.296257 0.296257 0.675770 O\n0.703743 0.703743 0.675770 O\n0.796257 0.203743 0.175770 O\n0.203743 0.796257 0.824230 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 8.244790741442845,
"density_atomic": 0.08569791163536018,
"volume": 210.04012415832247,
"volume_molar": 7.027173294051636,
"formula_full": "Ta4 Cu2 O12",
"formula_reduced": "Ta2CuO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.3359577611111115,
"spacegroup": 136
}
]
}