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=4323",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4321",
"results": [
{
"id": "jvasp-33031",
"created_at": "2022-09-04T14:37:31.248839Z",
"updated_at": "2022-09-04T14:37:31.248871Z",
"structure_string": "H8 C2 S2 N4\n1.0\n7.868447 0.000000 0.000000\n0.000000 6.368566 0.000000\n0.000000 0.000000 4.851540\nH C S N\n8 2 2 4\ndirect\n0.698209 0.177499 0.115120 H\n0.698209 0.822501 0.115120 H\n0.198209 0.822501 0.884880 H\n0.198209 0.177499 0.884880 H\n0.567681 0.316245 0.877097 H\n0.567681 0.683756 0.877097 H\n0.067681 0.683756 0.122903 H\n0.067681 0.316245 0.122903 H\n0.549773 0.000000 0.850262 C\n0.049772 0.000000 0.149738 C\n0.401986 0.000000 0.594883 S\n-0.098014 0.000000 0.405117 S\n0.611331 0.179567 -0.043726 N\n0.611331 0.820433 -0.043726 N\n0.111331 0.820433 0.043726 N\n0.111331 0.179567 0.043726 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.0398542834828801,
"density_atomic": 0.06581269698936047,
"volume": 243.1141820944767,
"volume_molar": 9.150423908282566,
"formula_full": "H8 C2 S2 N4",
"formula_reduced": "H4CSN2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.1362495625,
"spacegroup": 26
},
{
"id": "jvasp-22343",
"created_at": "2022-09-04T14:38:30.770615Z",
"updated_at": "2022-09-04T14:38:30.770644Z",
"structure_string": "Ce3 B6 C3\n1.0\n5.200255 0.000655 1.269737\n0.997162 5.103755 1.269737\n0.000796 0.000655 5.353025\nCe B C\n3 6 3\ndirect\n0.686895 0.686898 0.686897 Ce\n0.313104 0.313105 0.313105 Ce\n0.000000 0.000000 0.000000 Ce\n0.775197 0.500001 0.224803 B\n0.500000 0.224804 0.775198 B\n0.224802 0.775199 0.500001 B\n0.224802 0.500001 0.775198 B\n0.775197 0.224804 0.500001 B\n0.499999 0.775199 0.224803 B\n0.000000 0.000000 0.500000 C\n0.499999 0.000000 0.000000 C\n-0.000000 0.500000 0.000000 C\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"B",
"C"
],
"chemical_system": "B-C-Ce",
"density": 6.09277761415225,
"density_atomic": 0.0844704206120256,
"volume": 142.06156324373296,
"volume_molar": 7.129289420328351,
"formula_full": "Ce3 B6 C3",
"formula_reduced": "CeB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.136860166666667,
"spacegroup": 166
},
{
"id": "jvasp-23421",
"created_at": "2022-09-04T14:37:33.039371Z",
"updated_at": "2022-09-04T14:37:33.039396Z",
"structure_string": "Sm4 Fe4 B16\n1.0\n3.462285 0.000000 0.000000\n0.000000 5.955605 0.000000\n0.000000 0.000000 11.524671\nSm Fe B\n4 4 16\ndirect\n0.000000 0.374773 0.650633 Sm\n0.000000 0.625228 0.349367 Sm\n0.000000 0.874774 0.849367 Sm\n0.000000 0.125227 0.150633 Sm\n0.000000 0.368351 0.912386 Fe\n0.000000 0.631650 0.087614 Fe\n0.000000 0.868351 0.587614 Fe\n0.000000 0.131650 0.412386 Fe\n0.500001 0.641714 0.532173 B\n0.500001 0.358287 0.467827 B\n0.500001 0.221406 0.817682 B\n0.500001 0.778595 0.182318 B\n0.500001 0.721406 0.682318 B\n0.500001 0.278594 0.317682 B\n0.500001 0.389764 0.045118 B\n0.500001 0.475762 0.188380 B\n0.500001 0.889764 0.454882 B\n0.500001 0.110236 0.545118 B\n0.500001 0.858287 0.032173 B\n0.500001 0.524239 0.811620 B\n0.500001 0.975762 0.311620 B\n0.500001 0.024239 0.688379 B\n0.500001 0.610237 0.954882 B\n0.500001 0.141714 0.967827 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"B"
],
"chemical_system": "B-Fe-Sm",
"density": 6.972260736790366,
"density_atomic": 0.10099363538089876,
"volume": 237.63873742621206,
"volume_molar": 5.9628913617055375,
"formula_full": "Sm4 Fe4 B16",
"formula_reduced": "SmFeB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.137177451388889,
"spacegroup": 55
},
{
"id": "jvasp-100780",
"created_at": "2022-09-04T14:36:34.382975Z",
"updated_at": "2022-09-04T14:36:34.383000Z",
"structure_string": "Zr1 Ti1 N2\n1.0\n3.006102 -0.002633 4.501315\n1.362912 2.679389 4.501315\n-0.004298 -0.002633 5.412806\nZr Ti N\n1 1 2\ndirect\n0.499998 0.500001 0.500001 Zr\n0.000000 0.000000 0.000000 Ti\n0.255240 0.255241 0.255241 N\n0.744757 0.744762 0.744762 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"N"
],
"chemical_system": "N-Ti-Zr",
"density": 6.3514313176603,
"density_atomic": 0.09155764524606343,
"volume": 43.688323233411055,
"volume_molar": 6.577430801999492,
"formula_full": "Zr1 Ti1 N2",
"formula_reduced": "ZrTiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.137304833333333,
"spacegroup": 166
},
{
"id": "jvasp-28861",
"created_at": "2022-09-04T14:37:33.835964Z",
"updated_at": "2022-09-04T14:37:33.835990Z",
"structure_string": "Te4 Mo1 W3 S4\n1.0\n3.382310 0.000000 0.000000\n-1.691155 2.929106 -0.000004\n0.000000 -0.000058 37.812119\nTe Mo W S\n4 1 3 4\ndirect\n0.333354 0.666712 0.707574 Te\n0.666643 0.333288 0.043881 Te\n0.666644 0.333287 0.144481 Te\n0.333353 0.666708 0.607050 Te\n0.666680 0.333362 0.281777 Mo\n0.333305 0.666612 0.094100 W\n0.333309 0.666621 0.469646 W\n0.666692 0.333383 0.657386 W\n0.333356 0.666717 0.321906 S\n0.666650 0.333300 0.429346 S\n0.666652 0.333302 0.509941 S\n0.333356 0.666714 0.241662 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.701000449373977,
"density_atomic": 0.03203330375779973,
"volume": 374.6101273452989,
"volume_molar": 18.79962430829096,
"formula_full": "Te4 Mo1 W3 S4",
"formula_reduced": "Te4MoW3S4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 4.137613080555556,
"spacegroup": 156
},
{
"id": "jvasp-41954",
"created_at": "2022-09-04T14:37:44.421238Z",
"updated_at": "2022-09-04T14:37:44.421259Z",
"structure_string": "Sr6 Co2 C6 N6\n1.0\n4.352990 -7.539598 -0.000000\n4.352990 7.539599 -0.000000\n0.000000 0.000000 5.396037\nSr Co C N\n6 2 6 6\ndirect\n0.370559 0.306741 0.750000 Sr\n0.693259 0.063818 0.750000 Sr\n0.306741 0.936182 0.250000 Sr\n0.629441 0.693259 0.250000 Sr\n0.936182 0.629441 0.750000 Sr\n0.063818 0.370559 0.250000 Sr\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.695162 0.146957 0.250000 C\n0.304839 0.853043 0.750000 C\n0.853043 0.548205 0.250000 C\n0.548205 0.695161 0.750000 C\n0.146957 0.451795 0.750000 C\n0.451795 0.304839 0.250000 C\n0.977965 0.703594 0.250000 N\n0.022035 0.296406 0.750000 N\n0.703594 0.725629 0.750000 N\n0.296406 0.274371 0.250000 N\n0.725629 0.022035 0.250000 N\n0.274371 0.977965 0.750000 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Co",
"C",
"N"
],
"chemical_system": "C-Co-N-Sr",
"density": 3.7491290386292153,
"density_atomic": 0.05646628193837523,
"volume": 354.19367653473455,
"volume_molar": 10.665020881970404,
"formula_full": "Sr6 Co2 C6 N6",
"formula_reduced": "Sr3Co(CN)3",
"formula_anonymous": "AB3C3D3",
"energy_above_hull": 4.137626958,
"spacegroup": 176
},
{
"id": "jvasp-29002",
"created_at": "2022-09-04T14:37:49.918319Z",
"updated_at": "2022-09-04T14:37:49.918345Z",
"structure_string": "Te4 Mo1 W3 S4\n1.0\n3.381728 -0.000000 -0.000000\n-1.690865 2.928460 -0.000083\n-0.000000 -0.001120 39.303377\nTe Mo W S\n4 1 3 4\ndirect\n0.333368 0.666741 0.706927 Te\n0.666641 0.333282 0.419895 Te\n0.666683 0.333367 0.516368 Te\n0.333326 0.666654 0.610933 Te\n0.666635 0.333270 0.281773 Mo\n0.333317 0.666636 0.093975 W\n0.333348 0.666696 0.468232 W\n0.666666 0.333333 0.659085 W\n0.333373 0.666749 0.320220 S\n0.666630 0.333259 0.055576 S\n0.666669 0.333335 0.132488 S\n0.333337 0.666678 0.243277 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.486845770060789,
"density_atomic": 0.030829991820796324,
"volume": 389.2313715083576,
"volume_molar": 19.53338422859319,
"formula_full": "Te4 Mo1 W3 S4",
"formula_reduced": "Te4MoW3S4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 4.137867247222222,
"spacegroup": 156
},
{
"id": "jvasp-58350",
"created_at": "2022-09-04T14:37:36.543091Z",
"updated_at": "2022-09-04T14:37:36.543110Z",
"structure_string": "V10 As6\n1.0\n4.652854 0.000000 1.662684\n2.326428 6.711547 0.831342\n0.067945 0.000000 7.151478\nV As\n10 6\ndirect\n0.578319 0.693277 0.150084 V\n0.421681 0.306723 0.849915 V\n0.728404 0.849916 0.693277 V\n0.271596 0.150085 0.306723 V\n0.921681 0.849916 0.306722 V\n0.228405 0.693277 0.849915 V\n0.250000 0.500000 0.500000 V\n0.750000 0.500000 0.500000 V\n0.078320 0.150085 0.693277 V\n0.771596 0.306723 0.150084 V\n0.836269 0.500000 0.827463 As\n0.663732 0.172537 0.500000 As\n0.336269 0.827464 0.500000 As\n0.163732 0.500000 0.172537 As\n0.749999 -0.000000 -0.000000 As\n0.250000 -0.000000 -0.000000 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"V",
"As"
],
"chemical_system": "As-V",
"density": 7.154540183727529,
"density_atomic": 0.07188844581740872,
"volume": 222.5670595333053,
"volume_molar": 8.377063506555402,
"formula_full": "V10 As6",
"formula_reduced": "V5As3",
"formula_anonymous": "A3B5",
"energy_above_hull": 4.138415781250001,
"spacegroup": 140
},
{
"id": "jvasp-91655",
"created_at": "2022-09-04T14:35:52.908707Z",
"updated_at": "2022-09-04T14:35:52.908743Z",
"structure_string": "Hf4 Pb2 C2\n1.0\n-1.687803 -2.923442 -0.000000\n-1.687803 2.923442 0.000000\n0.000000 -0.000000 -14.637669\nHf Pb C\n4 2 2\ndirect\n0.666670 0.333328 0.581687 Hf\n0.333328 0.666670 0.418313 Hf\n0.333328 0.666670 0.081687 Hf\n0.666670 0.333328 0.918313 Hf\n0.666574 0.333424 0.250000 Pb\n0.333424 0.666574 0.750000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Pb",
"C"
],
"chemical_system": "C-Hf-Pb",
"density": 13.247294248377363,
"density_atomic": 0.05538240772052456,
"volume": 144.45020231641578,
"volume_molar": 10.873743139499172,
"formula_full": "Hf4 Pb2 C2",
"formula_reduced": "Hf2PbC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.138614205,
"spacegroup": 194
},
{
"id": "jvasp-81701",
"created_at": "2022-09-04T14:37:08.935655Z",
"updated_at": "2022-09-04T14:37:08.935674Z",
"structure_string": "Zr2 Os1 Pd1\n1.0\n-8.934114 0.000000 -5.158113\n-5.796251 -1.242238 -0.276824\n-4.324525 2.920433 -2.825929\nZr Os Pd\n2 1 1\ndirect\n0.745788 0.000000 -0.000000 Zr\n0.254212 0.000000 -0.000000 Zr\n0.500000 0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Os",
"Pd"
],
"chemical_system": "Os-Pd-Zr",
"density": 10.407872884863757,
"density_atomic": 0.05232973257788335,
"volume": 76.43838030409812,
"volume_molar": 11.508067141442263,
"formula_full": "Zr2 Os1 Pd1",
"formula_reduced": "Zr2OsPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.139049925,
"spacegroup": 71
},
{
"id": "jvasp-41444",
"created_at": "2022-09-04T14:37:40.953826Z",
"updated_at": "2022-09-04T14:37:40.953835Z",
"structure_string": "Tm1 Ta1 Ru2\n1.0\n0.000000 3.243003 3.243003\n3.243003 -0.000000 3.243003\n3.243003 3.243003 -0.000000\nTm Ta Ru\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.250001 0.250001 0.250001 Ta\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta-Tm",
"density": 13.437965060168716,
"density_atomic": 0.058639187535603106,
"volume": 68.21376912105711,
"volume_molar": 10.269822985428684,
"formula_full": "Tm1 Ta1 Ru2",
"formula_reduced": "TmTaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1390861125,
"spacegroup": 225
},
{
"id": "jvasp-68569",
"created_at": "2022-09-04T14:35:43.014374Z",
"updated_at": "2022-09-04T14:35:43.014390Z",
"structure_string": "Ti1 Be2 Os2\n1.0\n-1.895211 1.895211 4.558086\n1.895211 -1.895211 4.558086\n1.895211 1.895211 -4.558086\nTi Be Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.610622 0.610622 0.000000 Be\n0.389379 0.389379 0.000000 Be\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Os"
],
"chemical_system": "Be-Os-Ti",
"density": 11.317964322454038,
"density_atomic": 0.07635058362903348,
"volume": 65.48738414749555,
"volume_molar": 7.887484906808216,
"formula_full": "Ti1 Be2 Os2",
"formula_reduced": "Ti(BeOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.1391441066666665,
"spacegroup": 139
}
]
}