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_atomic&page=3527",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=3525",
"results": [
{
"id": "jvasp-100055",
"created_at": "2022-09-04T14:36:21.968561Z",
"updated_at": "2022-09-04T14:36:21.968582Z",
"structure_string": "Cr1 F6\n1.0\n4.345692 0.077647 2.886461\n1.587981 4.045910 2.886461\n0.111732 0.077647 5.215766\nCr F\n1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.919684 0.221672 0.629024 F\n0.221670 0.629025 0.919686 F\n0.370975 0.080315 0.778330 F\n0.778328 0.370977 0.080314 F\n0.080314 0.778329 0.370976 F\n0.629023 0.919686 0.221671 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.0912353918010664,
"density_atomic": 0.07850696745442151,
"volume": 89.16406055378414,
"volume_molar": 7.670836048400739,
"formula_full": "Cr1 F6",
"formula_reduced": "CrF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.3371055850000002,
"spacegroup": 148
},
{
"id": "jvasp-70365",
"created_at": "2022-09-04T14:35:41.641462Z",
"updated_at": "2022-09-04T14:35:41.641482Z",
"structure_string": "Be2 Tl1 Fe1\n1.0\n2.706889 -2.706937 0.000000\n2.706889 2.706937 0.000000\n0.000000 0.000000 3.476685\nBe Tl Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n-0.000000 0.500000 0.499999 Tl\n0.500000 -0.000000 0.499999 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Fe"
],
"chemical_system": "Be-Fe-Tl",
"density": 9.068688683268492,
"density_atomic": 0.07850838729527489,
"volume": 50.94997028732425,
"volume_molar": 7.670697319702106,
"formula_full": "Be2 Tl1 Fe1",
"formula_reduced": "Be2TlFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.745187575,
"spacegroup": 123
},
{
"id": "jvasp-21887",
"created_at": "2022-09-04T14:37:34.674078Z",
"updated_at": "2022-09-04T14:37:34.674103Z",
"structure_string": "Ta6 B4\n1.0\n6.207856 -0.000000 0.000000\n-0.000000 6.207856 0.000000\n-0.000000 0.000000 3.305165\nTa B\n6 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.322058 0.822058 0.500001 Ta\n0.822058 0.677943 0.500001 Ta\n0.177943 0.322058 0.500001 Ta\n0.677943 0.177943 0.500001 Ta\n0.106956 0.606957 0.000000 B\n0.606957 0.893044 0.000000 B\n0.393044 0.106956 0.000000 B\n0.893044 0.393044 0.000000 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"B"
],
"chemical_system": "B-Ta",
"density": 14.717708269319266,
"density_atomic": 0.07850974852347609,
"volume": 127.37271724937173,
"volume_molar": 7.6705643225939655,
"formula_full": "Ta6 B4",
"formula_reduced": "Ta3B2",
"formula_anonymous": "A2B3",
"energy_above_hull": 6.0698365533333325,
"spacegroup": 127
},
{
"id": "jvasp-104711",
"created_at": "2022-09-04T14:36:58.592700Z",
"updated_at": "2022-09-04T14:36:58.592720Z",
"structure_string": "Nb4 C3\n1.0\n3.123636 -0.003205 9.956934\n1.522504 2.727470 9.956934\n-0.005467 -0.003205 10.435402\nNb C\n4 3\ndirect\n0.622904 0.622901 0.622904 Nb\n0.377097 0.377095 0.377097 Nb\n0.875222 0.875218 0.875223 Nb\n0.124778 0.124778 0.124779 Nb\n0.752830 0.752827 0.752831 C\n0.000000 0.000000 0.000000 C\n0.247171 0.247170 0.247171 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.592632098945177,
"density_atomic": 0.07851375249205525,
"volume": 89.15635513292177,
"volume_molar": 7.670173146557192,
"formula_full": "Nb4 C3",
"formula_reduced": "Nb4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.456519657142857,
"spacegroup": 166
},
{
"id": "jvasp-55752",
"created_at": "2022-09-04T14:37:07.136913Z",
"updated_at": "2022-09-04T14:37:07.136939Z",
"structure_string": "K2 Co1 Pb1 N6 O12\n1.0\n6.360978 0.000000 3.672512\n2.120326 5.997188 3.672512\n0.000000 0.000000 7.345026\nK Co Pb N O\n2 1 1 6 12\ndirect\n0.750002 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pb\n0.809171 0.190831 0.190828 N\n0.190830 0.809171 0.809169 N\n0.190830 0.809171 0.190828 N\n0.809171 0.190831 0.809169 N\n0.809171 0.809171 0.190829 N\n0.190830 0.190831 0.809171 N\n0.357606 0.149228 0.642394 O\n0.850774 0.642393 0.149227 O\n0.149228 0.642393 0.357606 O\n0.642395 0.850771 0.357605 O\n0.149230 0.850771 0.642395 O\n0.357608 0.850771 0.149226 O\n0.642394 0.149228 0.850771 O\n0.357606 0.642393 0.850772 O\n0.642393 0.357606 0.149229 O\n0.850771 0.357606 0.642394 O\n0.850772 0.149228 0.357606 O\n0.149228 0.357606 0.850772 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Co",
"Pb",
"N",
"O"
],
"chemical_system": "Co-K-N-O-Pb",
"density": 3.676460863067429,
"density_atomic": 0.07851593133028471,
"volume": 280.1979117773553,
"volume_molar": 7.669960297187706,
"formula_full": "K2 Co1 Pb1 N6 O12",
"formula_reduced": "K2CoPb(NO2)6",
"formula_anonymous": "ABC2D6E12",
"energy_above_hull": 3.5200704190909096,
"spacegroup": 202
},
{
"id": "jvasp-79616",
"created_at": "2022-09-04T14:36:44.987801Z",
"updated_at": "2022-09-04T14:36:44.987835Z",
"structure_string": "S2 N2\n1.0\n0.000000 0.000000 3.804322\n3.659412 0.000000 0.000000\n0.000000 3.659412 0.000000\nS N\n2 2\ndirect\n0.172174 0.000000 0.500000 S\n0.827825 0.500000 0.000000 S\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"S",
"N"
],
"chemical_system": "N-S",
"density": 3.0034018654775454,
"density_atomic": 0.07851635081406942,
"volume": 50.94480268794199,
"volume_molar": 7.669919319430325,
"formula_full": "S2 N2",
"formula_reduced": "SN",
"formula_anonymous": "AB",
"energy_above_hull": 2.963906625,
"spacegroup": 129
},
{
"id": "jvasp-9254",
"created_at": "2022-09-04T14:38:11.337888Z",
"updated_at": "2022-09-04T14:38:11.337907Z",
"structure_string": "Ca4 Ti4 O8\n1.0\n3.014439 -0.008686 0.018296\n-1.482502 8.155186 -0.146497\n-0.052057 -0.630652 8.303838\nCa Ti O\n4 4 8\ndirect\n0.731092 0.962220 0.326682 Ca\n0.268908 0.037780 0.673319 Ca\n0.876389 0.252941 0.059577 Ca\n0.123612 0.747059 0.940423 Ca\n0.584283 0.668307 0.597260 Ti\n0.050341 0.600848 0.278467 Ti\n0.949659 0.399152 0.721533 Ti\n0.415717 0.331693 0.402740 Ti\n0.852215 0.204340 0.532988 O\n0.529749 0.559248 0.805120 O\n0.470252 0.440753 0.194881 O\n0.147785 0.795661 0.467012 O\n0.686562 0.873075 0.774593 O\n0.618039 0.736066 0.159014 O\n0.313438 0.126925 0.225407 O\n0.381962 0.263935 0.840987 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.90962899927012,
"density_atomic": 0.07851789308365759,
"volume": 203.77520806566548,
"volume_molar": 7.669768664810781,
"formula_full": "Ca4 Ti4 O8",
"formula_reduced": "CaTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3353914383333336,
"spacegroup": 12
},
{
"id": "jvasp-112715",
"created_at": "2022-09-04T14:38:41.866730Z",
"updated_at": "2022-09-04T14:38:41.866759Z",
"structure_string": "Yb4 Sb4 O16\n1.0\n5.252073 -0.000000 0.000000\n0.000000 7.470918 1.055930\n-0.000000 -0.031949 7.785323\nYb Sb O\n4 4 16\ndirect\n0.721764 0.608080 0.642444 Yb\n0.278235 0.391920 0.357555 Yb\n0.778235 0.108080 0.642444 Yb\n0.221765 0.891920 0.357555 Yb\n0.775427 0.193647 0.156606 Sb\n0.224572 0.806353 0.843394 Sb\n0.275428 0.306353 0.843394 Sb\n0.724572 0.693647 0.156606 Sb\n0.504081 0.122260 0.330503 O\n0.495918 0.877740 0.669496 O\n0.527774 0.668973 0.379870 O\n0.472226 0.331027 0.620129 O\n0.027774 0.831027 0.620129 O\n0.972225 0.168973 0.379870 O\n0.394144 0.810498 0.071675 O\n0.615816 0.438125 0.160086 O\n0.884183 0.938126 0.160086 O\n0.115817 0.061875 0.839914 O\n0.004082 0.377740 0.669496 O\n0.384183 0.561875 0.839914 O\n0.105855 0.310498 0.071675 O\n0.894144 0.689503 0.928324 O\n0.605855 0.189502 0.928324 O\n-0.004082 0.622260 0.330503 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Yb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Yb",
"density": 7.796962284708208,
"density_atomic": 0.07851959610959013,
"volume": 305.6561825216612,
"volume_molar": 7.6696023137903975,
"formula_full": "Yb4 Sb4 O16",
"formula_reduced": "YbSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5925651333333335,
"spacegroup": 14
},
{
"id": "jvasp-9787",
"created_at": "2022-09-04T14:37:17.234323Z",
"updated_at": "2022-09-04T14:37:17.234340Z",
"structure_string": "Ca4 Sm1 B3 O10\n1.0\n3.562970 -0.004888 0.315843\n1.266981 7.141531 3.664223\n-0.007481 0.002837 9.007595\nCa Sm B O\n4 1 3 10\ndirect\n0.669627 0.528705 0.225815 Ca\n0.340502 0.083530 0.365157 Ca\n0.340502 0.448688 0.634843 Ca\n0.669627 0.754521 0.774185 Ca\n0.000292 0.000078 -0.000000 Sm\n0.914329 0.757916 0.388890 B\n0.296686 0.376923 -0.000000 B\n0.914329 0.146807 0.611110 B\n0.916738 0.947678 0.286988 O\n0.916739 0.234666 0.713012 O\n0.246772 0.537533 0.850386 O\n0.718379 0.700711 0.537798 O\n0.112413 0.966989 0.657449 O\n0.112413 0.624438 0.342551 O\n0.246772 0.387918 0.149614 O\n0.397031 0.203170 -0.000000 O\n0.580395 0.823316 -0.000000 O\n0.718379 0.238511 0.462201 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Sm",
"B",
"O"
],
"chemical_system": "B-Ca-O-Sm",
"density": 3.6443519842703513,
"density_atomic": 0.07852180414694179,
"volume": 229.23569059003913,
"volume_molar": 7.669386644161239,
"formula_full": "Ca4 Sm1 B3 O10",
"formula_reduced": "Ca4SmB3O10",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 2.427649628055556,
"spacegroup": 8
},
{
"id": "jvasp-72972",
"created_at": "2022-09-04T14:36:03.617168Z",
"updated_at": "2022-09-04T14:36:03.617180Z",
"structure_string": "Ta1 Be2 Rh1\n1.0\n2.079850 -2.079850 2.943931\n-2.079850 2.079850 2.943931\n-2.079850 -2.079850 -2.943931\nTa Be Rh\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Rh"
],
"chemical_system": "Be-Rh-Ta",
"density": 9.840757867175409,
"density_atomic": 0.07852507216522397,
"volume": 50.93914452677779,
"volume_molar": 7.669067463355986,
"formula_full": "Ta1 Be2 Rh1",
"formula_reduced": "TaBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2629461,
"spacegroup": 216
},
{
"id": "jvasp-11149",
"created_at": "2022-09-04T14:36:34.421481Z",
"updated_at": "2022-09-04T14:36:34.421514Z",
"structure_string": "Ge6 N8\n1.0\n4.064300 -7.039574 -0.000000\n4.064300 7.039574 0.000000\n-0.000000 0.000000 3.115712\nGe N\n6 8\ndirect\n0.593687 0.829921 0.749999 Ge\n0.763766 0.593687 0.250000 Ge\n0.829921 0.236234 0.250000 Ge\n0.170079 0.763766 0.749999 Ge\n0.236234 0.406313 0.749999 Ge\n0.406313 0.170079 0.250000 Ge\n0.333333 0.666667 0.749999 N\n0.666667 0.333333 0.250000 N\n0.696021 0.669395 0.749999 N\n0.026627 0.696021 0.250000 N\n0.669395 0.973373 0.250000 N\n0.330605 0.026627 0.749999 N\n0.303979 0.330605 0.250000 N\n0.973373 0.303979 0.749999 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ge",
"N"
],
"chemical_system": "Ge-N",
"density": 5.103003737766428,
"density_atomic": 0.07852511791624824,
"volume": 178.28690196851207,
"volume_molar": 7.669062995133576,
"formula_full": "Ge6 N8",
"formula_reduced": "Ge3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.739788692857143,
"spacegroup": 176
},
{
"id": "jvasp-29522",
"created_at": "2022-09-04T14:37:08.872477Z",
"updated_at": "2022-09-04T14:37:08.872496Z",
"structure_string": "V2 Te2 O7 F2\n1.0\n4.836173 -0.062334 -0.173749\n-0.197752 4.700901 -1.690451\n-0.015259 0.031607 7.274469\nV Te O F\n2 2 7 2\ndirect\n0.782397 0.377938 0.379860 V\n0.217603 0.622063 0.620141 V\n0.705433 0.271525 0.838505 Te\n0.294567 0.728477 0.161495 Te\n0.126143 0.930364 0.767944 O\n0.084501 0.635619 0.372857 O\n0.873857 0.069637 0.232057 O\n0.472615 0.581649 0.846959 O\n0.527385 0.418352 0.153041 O\n0.915499 0.364382 0.627143 O\n0.000000 0.500000 0.000000 O\n0.423265 0.246148 0.464902 F\n0.576735 0.753853 0.535098 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"V",
"Te",
"O",
"F"
],
"chemical_system": "F-O-Te-V",
"density": 5.086614140578826,
"density_atomic": 0.07853266408684688,
"volume": 165.536215422715,
"volume_molar": 7.668326078102098,
"formula_full": "V2 Te2 O7 F2",
"formula_reduced": "V2Te2O7F2",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.412999922948718,
"spacegroup": 2
}
]
}