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=-energy_above_hull&page=194",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=192",
"results": [
{
"id": "jvasp-15969",
"created_at": "2022-09-04T14:38:20.245958Z",
"updated_at": "2022-09-04T14:38:20.245985Z",
"structure_string": "Cr3 Pt1 N1\n1.0\n3.835397 -0.000000 -0.000000\n-0.000000 3.835397 -0.000000\n0.000000 0.000000 3.835397\nCr Pt N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"Pt",
"N"
],
"chemical_system": "Cr-N-Pt",
"density": 10.744964304983329,
"density_atomic": 0.08862148675786166,
"volume": 56.419725993329116,
"volume_molar": 6.795350631449175,
"formula_full": "Cr3 Pt1 N1",
"formula_reduced": "Cr3PtN",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.639283369999999,
"spacegroup": 221
},
{
"id": "jvasp-98110",
"created_at": "2022-09-04T14:36:05.716995Z",
"updated_at": "2022-09-04T14:36:05.717014Z",
"structure_string": "H20 Pt2 C2 N16 O4\n1.0\n4.926469 0.048081 0.638718\n0.729507 5.523446 0.296560\n-0.078133 0.005472 14.613340\nH Pt C N O\n20 2 2 16 4\ndirect\n0.081981 0.486852 0.081093 H\n0.875379 0.910651 0.650739 H\n0.372639 0.262695 0.351196 H\n0.267897 0.379367 0.919535 H\n0.800501 0.346369 0.639226 H\n0.820840 0.422582 0.228118 H\n0.934151 0.407883 0.762210 H\n0.199501 0.653631 0.360774 H\n0.179162 0.577418 0.771882 H\n0.323858 0.048382 0.435308 H\n0.011703 0.038902 0.219336 H\n0.065851 0.592117 0.237790 H\n0.918020 0.513148 0.918907 H\n0.124623 0.089349 0.349261 H\n0.994735 0.804364 0.091303 H\n0.005266 0.195636 0.908697 H\n0.627362 0.737305 0.648804 H\n0.676143 0.951618 0.564692 H\n0.732105 0.620633 0.080465 H\n-0.011702 0.961098 0.780664 H\n0.401804 0.156395 0.713230 Pt\n0.598197 0.843605 0.286771 Pt\n0.922657 0.629899 0.109438 C\n0.077344 0.370101 0.890562 C\n0.769069 0.522706 0.432560 N\n0.210419 0.270989 0.596856 N\n0.611104 0.037172 0.825273 N\n0.234681 0.670736 0.534791 N\n0.879585 0.593490 0.211289 N\n0.415606 0.786400 0.944102 N\n0.321817 0.089069 0.366065 N\n0.388897 0.962828 0.174727 N\n0.584395 0.213600 0.055898 N\n0.120416 0.406510 0.788712 N\n0.504080 0.906612 0.884147 N\n0.678185 0.910931 0.633935 N\n0.495922 0.093389 0.115853 N\n0.230932 0.477294 0.567440 N\n0.789582 0.729011 0.403144 N\n0.765321 0.329264 0.465209 N\n0.151038 0.896404 0.738593 O\n0.657041 0.414011 0.687279 O\n0.848963 0.103596 0.261407 O\n0.342961 0.585989 0.312721 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"H",
"Pt",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Pt",
"density": 3.018765261337281,
"density_atomic": 0.11071929808360727,
"volume": 397.4013632815334,
"volume_molar": 5.439106699766568,
"formula_full": "H20 Pt2 C2 N16 O4",
"formula_reduced": "H10PtC(N4O)2",
"formula_anonymous": "ABC2D8E10",
"energy_above_hull": 4.639256563636363,
"spacegroup": 2
},
{
"id": "jvasp-19942",
"created_at": "2022-09-04T14:38:03.064980Z",
"updated_at": "2022-09-04T14:38:03.065010Z",
"structure_string": "U2 Ti1\n1.0\n2.395006 -4.148272 0.000000\n2.395006 4.148272 0.000000\n0.000000 0.000000 2.810740\nU Ti\n2 1\ndirect\n0.666668 0.333334 0.500000 U\n0.333334 0.666668 0.500000 U\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"Ti"
],
"chemical_system": "Ti-U",
"density": 15.577349699315963,
"density_atomic": 0.05371514519360399,
"volume": 55.850170174299706,
"volume_molar": 11.211252875319552,
"formula_full": "U2 Ti1",
"formula_reduced": "U2Ti",
"formula_anonymous": "AB2",
"energy_above_hull": 4.6391234444444445,
"spacegroup": 191
},
{
"id": "jvasp-73874",
"created_at": "2022-09-04T14:35:58.658139Z",
"updated_at": "2022-09-04T14:35:58.658159Z",
"structure_string": "Be1 Ge1 W2\n1.0\n3.218650 0.000000 -0.000000\n0.000000 3.218650 0.000000\n0.000000 -0.000000 5.536277\nBe Ge W\n1 1 2\ndirect\n0.000000 0.000000 0.489880 Be\n0.500000 0.500000 0.732957 Ge\n0.000000 0.000000 0.012568 W\n0.500000 0.500000 0.264595 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"W"
],
"chemical_system": "Be-Ge-W",
"density": 13.009221366562244,
"density_atomic": 0.06974204422732506,
"volume": 57.354212144426825,
"volume_molar": 8.634878467815994,
"formula_full": "Be1 Ge1 W2",
"formula_reduced": "BeGeW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6387555125,
"spacegroup": 99
},
{
"id": "jvasp-70890",
"created_at": "2022-09-04T14:35:55.079549Z",
"updated_at": "2022-09-04T14:35:55.079581Z",
"structure_string": "Be1 Ge1 W2\n1.0\n3.218730 -0.000000 0.000000\n-0.000000 3.218730 0.000000\n-0.000000 -0.000000 5.536075\nBe Ge W\n1 1 2\ndirect\n0.000000 0.000000 0.489866 Be\n0.500000 0.500000 0.732964 Ge\n0.000000 0.000000 0.012569 W\n0.500000 0.500000 0.264599 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"W"
],
"chemical_system": "Be-Ge-W",
"density": 13.009049354763606,
"density_atomic": 0.06974112207724935,
"volume": 57.35497050892537,
"volume_molar": 8.634992642259936,
"formula_full": "Be1 Ge1 W2",
"formula_reduced": "BeGeW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6387555125,
"spacegroup": 99
},
{
"id": "jvasp-70406",
"created_at": "2022-09-04T14:36:03.127219Z",
"updated_at": "2022-09-04T14:36:03.127235Z",
"structure_string": "Ta1 Be1 Re1\n1.0\n1.553064 -2.689986 -0.000000\n1.553064 2.689986 0.000000\n0.000000 0.000000 5.108235\nTa Be Re\n1 1 1\ndirect\n0.666666 0.333331 0.309375 Ta\n0.000000 0.000000 0.984937 Be\n0.333331 0.666666 0.705690 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Re"
],
"chemical_system": "Be-Re-Ta",
"density": 14.6348955066485,
"density_atomic": 0.07028797283111338,
"volume": 42.6815553097305,
"volume_molar": 8.567811131030748,
"formula_full": "Ta1 Be1 Re1",
"formula_reduced": "TaBeRe",
"formula_anonymous": "ABC",
"energy_above_hull": 4.638684433333333,
"spacegroup": 156
},
{
"id": "jvasp-34155",
"created_at": "2022-09-04T14:37:20.097377Z",
"updated_at": "2022-09-04T14:37:20.097403Z",
"structure_string": "Ce4 B2 N5\n1.0\n3.419777 0.000000 0.875744\n1.622699 6.057140 0.778347\n0.001705 -0.007509 7.108323\nCe B N\n4 2 5\ndirect\n0.074624 0.196741 0.654009 Ce\n0.925376 0.803259 0.345991 Ce\n0.687615 0.738131 0.886639 Ce\n0.312385 0.261869 0.113360 Ce\n0.411614 0.567667 0.609103 B\n0.588386 0.432333 0.390896 B\n0.291680 0.812595 0.604044 N\n0.708320 0.187404 0.395956 N\n0.000000 0.000000 0.000000 N\n0.379587 0.439795 0.801028 N\n0.620413 0.560204 0.198971 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"B",
"N"
],
"chemical_system": "B-Ce-N",
"density": 7.3543268715280705,
"density_atomic": 0.07470666157624102,
"volume": 147.24255866759722,
"volume_molar": 8.061049219625714,
"formula_full": "Ce4 B2 N5",
"formula_reduced": "Ce4B2N5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.63841121969697,
"spacegroup": 12
},
{
"id": "jvasp-52095",
"created_at": "2022-09-04T14:38:09.036798Z",
"updated_at": "2022-09-04T14:38:09.036824Z",
"structure_string": "Ce4 B2 N5\n1.0\n3.419839 0.000000 0.875760\n1.622762 6.056894 0.778229\n0.001725 -0.007660 7.108373\nCe B N\n4 2 5\ndirect\n0.074630 0.196726 0.654015 Ce\n0.925371 0.803274 0.345984 Ce\n0.687620 0.738127 0.886637 Ce\n0.312382 0.261873 0.113363 Ce\n0.411621 0.567659 0.609099 B\n0.588380 0.432340 0.390901 B\n0.291686 0.812591 0.604038 N\n0.708316 0.187408 0.395961 N\n0.000000 0.000000 0.000000 N\n0.379593 0.439789 0.801025 N\n0.620408 0.560211 0.198975 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"B",
"N"
],
"chemical_system": "B-Ce-N",
"density": 7.354436597587979,
"density_atomic": 0.07470777619458298,
"volume": 147.24036185134906,
"volume_molar": 8.06092895111053,
"formula_full": "Ce4 B2 N5",
"formula_reduced": "Ce4B2N5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.63841121969697,
"spacegroup": 12
},
{
"id": "jvasp-103881",
"created_at": "2022-09-04T14:36:54.662748Z",
"updated_at": "2022-09-04T14:36:54.662769Z",
"structure_string": "Ti1 H14 C9 O6\n1.0\n5.616824 -0.417991 -1.441161\n-0.526860 5.803068 0.329291\n-0.471263 0.175434 7.913137\nTi H C O\n1 14 9 6\ndirect\n-0.020237 0.516768 0.091448 Ti\n0.006401 -0.088946 0.618507 H\n0.152359 0.129336 0.502007 H\n0.297185 0.007927 0.903579 H\n0.157795 0.244541 0.801248 H\n0.476228 0.266814 0.474950 H\n0.553351 0.567689 0.492655 H\n0.604476 0.125653 0.230425 H\n0.534545 0.899466 0.635481 H\n0.767916 0.887366 0.284553 H\n0.703400 0.021328 0.454587 H\n0.961445 0.064080 0.097459 H\n0.632935 0.762252 0.016445 H\n0.784828 0.412134 0.491092 H\n0.315647 0.674481 0.683752 H\n0.185629 0.006989 0.616898 C\n0.289733 0.134758 0.791441 C\n0.626226 0.399464 0.540563 C\n0.632054 0.969693 0.317482 C\n0.399554 0.808130 0.285649 C\n0.265785 0.741857 0.408662 C\n0.535049 0.288764 0.840965 C\n0.696880 0.386752 0.733704 C\n0.338992 0.826528 0.593866 C\n0.067282 0.587864 0.351704 O\n0.808977 0.785101 0.033009 O\n0.052821 0.220649 0.139464 O\n0.305842 0.709677 0.129210 O\n0.912465 0.487556 0.822575 O\n0.619954 0.342963 0.003946 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.752445194821241,
"density_atomic": 0.11899241774592895,
"volume": 252.1169043228923,
"volume_molar": 5.060944952693033,
"formula_full": "Ti1 H14 C9 O6",
"formula_reduced": "TiH14(C3O2)3",
"formula_anonymous": "AB6C9D14",
"energy_above_hull": 4.638154644444445,
"spacegroup": 1
},
{
"id": "jvasp-86433",
"created_at": "2022-09-04T14:35:41.740508Z",
"updated_at": "2022-09-04T14:35:41.740536Z",
"structure_string": "Th2 Mn1 N3\n1.0\n3.429432 -0.000000 -0.909397\n-0.279921 3.695739 -1.055611\n-0.007989 -0.041576 6.890945\nTh Mn N\n2 1 3\ndirect\n0.643977 0.643977 0.287953 Th\n0.356023 0.356022 0.712046 Th\n0.000000 0.000000 0.000000 Mn\n0.837140 0.837140 0.674280 N\n0.162859 0.162859 0.325719 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Mn",
"N"
],
"chemical_system": "Mn-N-Th",
"density": 10.689854406431412,
"density_atomic": 0.06884692644754928,
"volume": 87.14985998062053,
"volume_molar": 8.74714540029313,
"formula_full": "Th2 Mn1 N3",
"formula_reduced": "Th2MnN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.637953031896552,
"spacegroup": 71
},
{
"id": "jvasp-13885",
"created_at": "2022-09-04T14:38:01.334023Z",
"updated_at": "2022-09-04T14:38:01.334049Z",
"structure_string": "Lu8 Co2 B26\n1.0\n7.203370 -0.000000 0.000000\n0.000000 7.203370 -0.000000\n-0.000000 -0.000000 6.777913\nLu Co B\n8 2 26\ndirect\n0.318784 0.816382 0.000000 Lu\n0.181216 0.316382 0.500000 Lu\n0.818784 0.683618 0.500000 Lu\n0.816382 0.681216 0.000000 Lu\n0.183618 0.318784 0.000000 Lu\n0.681216 0.183618 0.000000 Lu\n0.683618 0.181216 0.500000 Lu\n0.316382 0.818784 0.500000 Lu\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.589633 0.910367 0.250000 B\n0.089633 0.589633 0.250000 B\n0.089633 0.589633 0.750000 B\n0.589633 0.910367 0.750000 B\n0.410367 0.089633 0.750000 B\n0.328782 0.539060 0.244425 B\n0.171218 0.039060 0.255574 B\n0.039060 0.828782 0.255574 B\n0.960940 0.171218 0.255574 B\n0.410367 0.089633 0.250000 B\n0.910367 0.410367 0.750000 B\n0.910367 0.410367 0.250000 B\n0.828782 0.960940 0.744425 B\n0.000000 0.000000 0.500000 B\n0.539060 0.671218 0.244425 B\n0.460940 0.328782 0.244425 B\n0.671218 0.460940 0.244425 B\n0.960940 0.171218 0.744425 B\n0.039060 0.828782 0.744425 B\n0.671218 0.460940 0.755574 B\n0.328782 0.539060 0.755574 B\n0.171218 0.039060 0.744425 B\n0.460940 0.328782 0.755574 B\n0.539060 0.671218 0.755574 B\n0.500000 0.500000 0.000000 B\n0.828782 0.960940 0.255574 B\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Lu",
"Co",
"B"
],
"chemical_system": "B-Co-Lu",
"density": 8.49253984657588,
"density_atomic": 0.10236112847828298,
"volume": 351.6960054581441,
"volume_molar": 5.883230137774089,
"formula_full": "Lu8 Co2 B26",
"formula_reduced": "Lu4CoB13",
"formula_anonymous": "AB4C13",
"energy_above_hull": 4.6377515268518525,
"spacegroup": 128
},
{
"id": "jvasp-15588",
"created_at": "2022-09-04T14:36:52.553168Z",
"updated_at": "2022-09-04T14:36:52.553188Z",
"structure_string": "U2 Te1 N2\n1.0\n3.730191 0.000000 -1.122343\n-0.337691 3.714875 -1.122343\n0.030608 0.033517 6.861689\nU Te N\n2 1 2\ndirect\n0.341285 0.341284 0.682569 U\n0.658716 0.658715 0.317432 U\n0.000000 0.000000 0.000000 Te\n0.250000 0.749999 0.500000 N\n0.750000 0.250000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Te",
"N"
],
"chemical_system": "N-Te-U",
"density": 10.999018947167308,
"density_atomic": 0.05243047193494017,
"volume": 95.36439050566607,
"volume_molar": 11.485955662334574,
"formula_full": "U2 Te1 N2",
"formula_reduced": "U2TeN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.637657253333334,
"spacegroup": 139
}
]
}