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=4588",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4586",
"results": [
{
"id": "jvasp-78577",
"created_at": "2022-09-04T14:36:31.819516Z",
"updated_at": "2022-09-04T14:36:31.819551Z",
"structure_string": "Li1 O2\n1.0\n2.363771 -0.463045 2.195615\n0.661998 2.315941 2.195615\n-0.756149 -0.463045 3.136300\nLi O\n1 2\ndirect\n0.500002 0.499999 0.500001 Li\n0.250009 0.250005 0.250008 O\n0.749997 0.749990 0.749996 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.6419823817233428,
"density_atomic": 0.1225768221229409,
"volume": 24.474447518235458,
"volume_molar": 4.912952265934887,
"formula_full": "Li1 O2",
"formula_reduced": "LiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.564935666666667,
"spacegroup": 225
},
{
"id": "jvasp-104101",
"created_at": "2022-09-04T14:37:06.461007Z",
"updated_at": "2022-09-04T14:37:06.461033Z",
"structure_string": "H40 C20 S4\n1.0\n7.398371 0.000000 -2.602618\n0.000000 8.919117 0.000000\n-0.106037 0.000000 7.947053\nH C S\n40 20 4\ndirect\n0.374691 0.123538 0.465145 H\n0.870150 0.631958 0.789784 H\n0.129849 0.368042 0.210215 H\n0.125961 0.123978 0.035309 H\n0.874038 0.876022 0.964690 H\n0.874038 0.623978 0.464691 H\n0.125961 0.376022 0.535308 H\n0.368436 0.126901 0.119289 H\n0.631563 0.873099 0.880711 H\n0.631563 0.626901 0.380711 H\n0.368526 0.886602 0.948853 H\n0.631474 0.113398 0.051146 H\n0.631473 0.386602 0.551146 H\n0.368526 0.613398 0.448853 H\n0.129596 0.887582 0.866794 H\n0.870404 0.112418 0.133205 H\n0.870403 0.387582 0.633205 H\n0.129596 0.612418 0.366794 H\n0.870150 0.868042 0.289784 H\n0.129849 0.131958 0.710215 H\n0.368436 0.373099 0.619288 H\n0.629163 0.631517 0.709788 H\n0.370837 0.368483 0.290212 H\n0.625308 0.876462 0.534854 H\n0.625308 0.623538 0.034855 H\n0.374691 0.376462 0.965145 H\n0.132238 0.127324 0.381106 H\n0.867762 0.627324 0.118893 H\n0.132237 0.372677 0.881106 H\n0.369683 0.887081 0.633165 H\n0.867762 0.872677 0.618893 H\n0.630316 0.387081 0.866834 H\n0.369684 0.612920 0.133166 H\n0.130766 0.887088 0.551089 H\n0.869233 0.112912 0.448910 H\n0.869233 0.387088 0.948910 H\n0.130766 0.612913 0.051090 H\n0.370836 0.131517 0.790211 H\n0.630316 0.112920 0.366834 H\n0.629163 0.868483 0.209788 H\n0.249503 0.538451 0.409329 C\n0.248485 0.053555 0.071173 C\n0.751515 0.946445 0.928827 C\n0.751515 0.553555 0.428827 C\n0.750497 0.461549 0.590670 C\n0.249502 0.961549 0.909329 C\n0.750497 0.038451 0.090670 C\n0.250145 0.441693 0.250148 C\n0.248484 0.446445 0.571172 C\n0.749854 0.558307 0.749851 C\n0.748199 0.553550 0.070882 C\n0.250145 0.058307 0.750148 C\n0.250233 0.538449 0.090777 C\n0.749766 0.461551 0.909222 C\n0.749766 0.038449 0.409222 C\n0.250233 0.961551 0.590777 C\n0.251800 0.446451 0.929117 C\n0.748199 0.946451 0.570882 C\n0.251800 0.053550 0.429118 C\n0.749854 0.941693 0.249851 C\n0.750182 0.424532 0.249966 S\n0.249817 0.924532 0.250034 S\n0.750182 0.075468 0.749965 S\n0.249817 0.575468 0.750034 S\n",
"nsites": 64,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.3005596628660363,
"density_atomic": 0.12261940191356638,
"volume": 521.940239482763,
"volume_molar": 4.911246235114544,
"formula_full": "H40 C20 S4",
"formula_reduced": "H10C5S",
"formula_anonymous": "AB5C10",
"energy_above_hull": 4.498833749999999,
"spacegroup": 15
},
{
"id": "jvasp-112908",
"created_at": "2022-09-04T14:38:45.474383Z",
"updated_at": "2022-09-04T14:38:45.474419Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n4.875449 0.021432 0.928994\n4.046718 2.719290 0.928994\n-0.161598 -0.049640 9.873243\nLi Mn Co O\n5 1 2 8\ndirect\n0.762397 0.762395 0.859642 Li\n0.246525 0.246525 0.630730 Li\n0.749135 0.749134 0.379805 Li\n0.249567 0.249567 0.129134 Li\n0.497041 0.497040 0.742213 Li\n0.004581 0.004581 0.988276 Mn\n-0.002288 -0.002288 0.506005 Co\n0.499065 0.499063 0.252057 Co\n0.120772 0.120772 0.830395 O\n0.611017 0.611016 0.554170 O\n0.107708 0.107708 0.315413 O\n0.606389 0.606387 0.068753 O\n0.385494 0.385493 0.949161 O\n0.879316 0.879314 0.673955 O\n0.391292 0.391291 0.433938 O\n0.891997 0.891995 0.186343 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.269630729398897,
"density_atomic": 0.12262038528104273,
"volume": 130.4840134316037,
"volume_molar": 4.9112068488428005,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.502780440086207,
"spacegroup": 8
},
{
"id": "jvasp-52854",
"created_at": "2022-09-04T14:37:01.860231Z",
"updated_at": "2022-09-04T14:37:01.860251Z",
"structure_string": "Ca2 B4 H8 O12\n1.0\n5.016136 -0.014237 4.745453\n-0.114326 4.453577 0.000000\n-5.016136 0.014237 4.745453\nCa B H O\n2 4 8 12\ndirect\n0.788775 0.750001 0.788776 Ca\n0.211224 0.250000 0.211224 Ca\n0.138469 0.310163 0.722824 B\n0.722824 0.189837 0.138470 B\n0.861530 0.689838 0.277176 B\n0.277175 0.810163 0.861530 B\n0.919807 0.227422 0.511849 H\n0.080192 0.772579 0.488151 H\n0.488150 0.727422 0.080193 H\n0.511848 0.272579 0.919807 H\n0.364449 0.131651 0.592432 H\n0.407567 0.631651 0.635551 H\n0.635550 0.868350 0.407568 H\n0.592432 0.368349 0.364449 H\n0.058738 0.797097 0.346999 O\n0.116694 0.620626 0.784884 O\n0.784884 0.879375 0.116695 O\n0.883305 0.379375 0.215115 O\n0.215115 0.120626 0.883305 O\n0.277824 0.304349 0.560195 O\n0.560195 0.195652 0.277824 O\n0.722175 0.695652 0.439805 O\n0.439804 0.804349 0.722176 O\n0.941261 0.202905 0.653001 O\n0.653001 0.297096 0.941262 O\n0.346998 0.702904 0.058738 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O",
"density": 2.5334389423090857,
"density_atomic": 0.12263630340900561,
"volume": 212.0089995968578,
"volume_molar": 4.910569376765618,
"formula_full": "Ca2 B4 H8 O12",
"formula_reduced": "CaB2(H2O3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.9871435835897437,
"spacegroup": 15
},
{
"id": "jvasp-34782",
"created_at": "2022-09-04T14:37:09.917048Z",
"updated_at": "2022-09-04T14:37:09.917074Z",
"structure_string": "H12 C6 O6\n1.0\n5.830770 -0.020355 -1.160554\n-1.410449 5.657643 -1.160554\n-0.015961 -0.020355 5.945125\nH C O\n12 6 6\ndirect\n0.765611 0.257021 0.561304 H\n0.679790 0.974136 0.855829 H\n0.855828 0.679788 0.974138 H\n0.974138 0.855827 0.679790 H\n0.179790 0.355828 0.474138 H\n0.474138 0.179790 0.355829 H\n0.355828 0.474137 0.179791 H\n0.757022 0.265610 0.061304 H\n0.061303 0.757021 0.265611 H\n0.561303 0.765610 0.257022 H\n0.257022 0.561302 0.765610 H\n0.265611 0.061303 0.757021 H\n0.610733 0.320095 0.494211 C\n0.820096 0.110732 0.994211 C\n0.994211 0.820095 0.110734 C\n0.320096 0.494210 0.610733 C\n0.110733 0.994210 0.820096 C\n0.494211 0.610733 0.320097 C\n0.014241 0.188871 0.897151 O\n0.688871 0.514240 0.397151 O\n0.514241 0.397150 0.688871 O\n0.397151 0.688870 0.514241 O\n0.897151 0.014240 0.188872 O\n0.188871 0.897151 0.014241 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5288535965641397,
"density_atomic": 0.12265340299464976,
"volume": 195.67333163228173,
"volume_molar": 4.909884775282339,
"formula_full": "H12 C6 O6",
"formula_reduced": "H2CO",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.276543375,
"spacegroup": 161
},
{
"id": "jvasp-48527",
"created_at": "2022-09-04T14:36:09.933406Z",
"updated_at": "2022-09-04T14:36:09.933439Z",
"structure_string": "Li4 Fe3 Co1 O8\n1.0\n-4.916685 0.002817 0.008588\n-0.003301 -5.667407 -0.009374\n1.647072 2.824893 4.680856\nLi Fe Co O\n4 3 1 8\ndirect\n0.503662 0.252673 0.005351 Li\n0.496338 0.747328 0.994651 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.755327 0.499999 Fe\n0.500001 0.244674 0.500003 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500001 0.500001 Co\n0.759548 0.138535 0.278044 O\n0.759551 0.639508 0.278041 O\n0.746508 0.115377 0.730753 O\n0.736762 0.608481 0.716960 O\n0.263238 0.391520 0.283042 O\n0.253492 0.884624 0.269249 O\n0.240449 0.360493 0.721961 O\n0.240452 0.861467 0.721958 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.868057784856881,
"density_atomic": 0.12271701966669538,
"volume": 130.38126287174083,
"volume_molar": 4.907339484251158,
"formula_full": "Li4 Fe3 Co1 O8",
"formula_reduced": "Li4Fe3CoO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.6712253375,
"spacegroup": 12
},
{
"id": "jvasp-91986",
"created_at": "2022-09-04T14:36:03.161560Z",
"updated_at": "2022-09-04T14:36:03.161593Z",
"structure_string": "Li2 Fe1 Co1 O4\n1.0\n-4.937073 0.038943 0.023783\n0.000000 -1.470954 2.408659\n-1.615379 4.005447 2.446103\nLi Fe Co O\n2 1 1 4\ndirect\n-0.000000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.500000 Fe\n0.500000 0.500000 -0.000000 Co\n0.720523 -0.000001 0.758265 O\n0.722463 0.499999 0.256760 O\n0.277536 0.499999 0.743240 O\n0.279477 -0.000000 0.241735 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.907606230618485,
"density_atomic": 0.12272244899574758,
"volume": 65.1877473556383,
"volume_molar": 4.907122380037145,
"formula_full": "Li2 Fe1 Co1 O4",
"formula_reduced": "Li2FeCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.36950755,
"spacegroup": 10
},
{
"id": "jvasp-46394",
"created_at": "2022-09-04T14:38:09.485568Z",
"updated_at": "2022-09-04T14:38:09.485603Z",
"structure_string": "Li4 Mn4 B4 O16\n1.0\n4.433910 0.000000 0.000000\n0.000000 5.472424 0.000000\n0.000000 0.000000 9.402558\nLi Mn B O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.989434 0.250000 0.729442 Mn\n0.510566 0.250000 0.229442 Mn\n0.489434 0.749999 0.770559 Mn\n0.010566 0.749999 0.270559 Mn\n0.561960 0.749999 0.090760 B\n0.938041 0.749999 0.590761 B\n0.061960 0.250000 0.409240 B\n0.438041 0.250000 0.909240 B\n0.244289 0.749999 0.102775 O\n0.255711 0.749999 0.602775 O\n0.680925 0.749999 0.946550 O\n0.819075 0.749999 0.446550 O\n0.775388 0.539003 0.669790 O\n0.724612 0.539003 0.169790 O\n0.224612 0.460996 0.330211 O\n0.224612 0.039003 0.330211 O\n0.744289 0.250000 0.397225 O\n0.319075 0.250000 0.053450 O\n0.755711 0.250000 0.897225 O\n0.180925 0.250000 0.553450 O\n0.775388 0.960996 0.669790 O\n0.275388 0.039003 0.830211 O\n0.275388 0.460996 0.830211 O\n0.724612 0.960996 0.169790 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.9794744109888396,
"density_atomic": 0.12272849198222896,
"volume": 228.1458815940995,
"volume_molar": 4.906880759907002,
"formula_full": "Li4 Mn4 B4 O16",
"formula_reduced": "LiMnBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7883748321018063,
"spacegroup": 62
},
{
"id": "jvasp-101993",
"created_at": "2022-09-04T14:36:51.913204Z",
"updated_at": "2022-09-04T14:36:51.913230Z",
"structure_string": "H28 C16\n1.0\n9.029807 0.000000 -1.821030\n0.000000 4.750526 0.000000\n0.074353 0.000000 8.342497\nH C\n28 16\ndirect\n0.553754 0.348066 0.726924 H\n0.028401 0.459293 0.186026 H\n0.971599 0.540708 0.813974 H\n0.971599 0.959294 0.313974 H\n0.028401 0.040707 0.686026 H\n0.949460 0.204884 0.041221 H\n0.050540 0.795117 0.958779 H\n0.949460 0.295116 0.541221 H\n0.817044 0.786445 0.088223 H\n0.182957 0.213556 0.911778 H\n0.182957 0.286444 0.411778 H\n0.817043 0.713556 0.588223 H\n0.739503 0.542093 0.935662 H\n0.260497 0.457907 0.064338 H\n0.050540 0.704885 0.458779 H\n0.739503 0.957908 0.435662 H\n0.260497 0.042093 0.564338 H\n0.446246 0.651935 0.273077 H\n0.446246 0.848066 0.773077 H\n0.553754 0.151934 0.226923 H\n0.444287 0.727149 0.490775 H\n0.444287 0.772852 0.990775 H\n0.555713 0.272852 0.509226 H\n0.555713 0.227149 0.009225 H\n0.775183 0.054545 0.808660 H\n0.224817 0.945456 0.191340 H\n0.224817 0.554546 0.691340 H\n0.775184 0.445455 0.308660 H\n0.805721 0.940478 0.559793 C\n0.960291 0.066371 0.563191 C\n0.805722 0.559523 0.059793 C\n0.194278 0.440478 0.940208 C\n0.194279 0.059523 0.440208 C\n0.039709 0.933630 0.436809 C\n0.726919 0.417296 0.179224 C\n0.393193 0.756814 0.362919 C\n0.273082 0.917297 0.320776 C\n0.726918 0.082704 0.679224 C\n0.606807 0.256813 0.137081 C\n0.393193 0.743188 0.862920 C\n0.606807 0.243187 0.637081 C\n0.039709 0.566372 0.936809 C\n0.273082 0.582704 0.820777 C\n0.960291 0.433629 0.063191 C\n",
"nsites": 44,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0208261782037378,
"density_atomic": 0.12273164533396881,
"volume": 358.5057454438117,
"volume_molar": 4.906754687116734,
"formula_full": "H28 C16",
"formula_reduced": "H7C4",
"formula_anonymous": "A4B7",
"energy_above_hull": 4.630472727272728,
"spacegroup": 14
},
{
"id": "jvasp-103927",
"created_at": "2022-09-04T14:36:40.651475Z",
"updated_at": "2022-09-04T14:36:40.651498Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.400044 0.026141 -0.398942\n2.131328 4.367010 0.426338\n0.020921 -0.153837 11.878440\nZn H C O\n1 14 9 4\ndirect\n0.649149 0.067287 0.836342 Zn\n0.147701 0.786205 0.433168 H\n0.809626 0.211050 0.209186 H\n0.485058 0.141282 0.139670 H\n0.556545 0.272746 0.391769 H\n0.220833 0.203593 0.331574 H\n0.805963 0.734764 0.367136 H\n0.285547 0.321695 0.578636 H\n0.815366 0.332291 0.012046 H\n0.612440 0.694501 0.062566 H\n0.375666 0.731656 0.242509 H\n0.050261 0.652853 0.180387 H\n0.933196 0.833866 0.631210 H\n0.572660 0.856108 0.549064 H\n0.926264 0.294490 0.513821 H\n0.281153 0.575448 0.958434 C\n0.588207 0.485996 0.046151 C\n0.556824 0.325009 0.158508 C\n0.306239 0.543447 0.228879 C\n0.032473 0.456551 0.530102 C\n0.060435 0.610288 0.416735 C\n0.811303 0.692718 0.601785 C\n0.704378 0.569054 0.703904 C\n0.298440 0.387120 0.344578 C\n0.260961 0.381346 0.895287 O\n0.547634 0.749899 0.773836 O\n0.759578 0.288510 0.712426 O\n0.040877 0.844761 0.955911 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.8322091029294376,
"density_atomic": 0.12278606030815953,
"volume": 228.03891524597853,
"volume_molar": 4.904580165603546,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493402657142858,
"spacegroup": 1
},
{
"id": "jvasp-20170",
"created_at": "2022-09-04T14:37:35.447509Z",
"updated_at": "2022-09-04T14:37:35.447535Z",
"structure_string": "Be12 Cr1\n1.0\n3.823149 0.000000 1.560588\n1.911574 5.063251 0.780294\n-0.001938 0.000000 5.468042\nBe Cr\n12 1\ndirect\n0.709285 0.790714 0.790714 Be\n0.500000 0.000000 0.500000 Be\n-0.000001 0.500000 -0.000000 Be\n0.500000 0.500000 -0.000000 Be\n-0.000000 0.000000 0.500000 Be\n0.347229 0.652769 0.652769 Be\n-0.000001 0.347230 0.652769 Be\n-0.000001 0.652769 0.347230 Be\n0.652769 0.347230 0.347230 Be\n0.290714 0.209286 0.209286 Be\n0.499999 0.790714 0.209286 Be\n0.499999 0.209286 0.790714 Be\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Cr"
],
"chemical_system": "Be-Cr",
"density": 2.5119429190107234,
"density_atomic": 0.12279989710883714,
"volume": 105.86328088270419,
"volume_molar": 4.904027529162013,
"formula_full": "Be12 Cr1",
"formula_reduced": "Be12Cr",
"formula_anonymous": "AB12",
"energy_above_hull": 2.5335123538461537,
"spacegroup": 139
},
{
"id": "jvasp-57447",
"created_at": "2022-09-04T14:38:33.464340Z",
"updated_at": "2022-09-04T14:38:33.464351Z",
"structure_string": "Si6 O12\n1.0\n4.568097 0.000105 -0.821579\n-0.332101 4.695044 -1.845923\n-0.009359 -0.030966 6.846603\nSi O\n6 12\ndirect\n0.670742 0.691040 0.673335 Si\n0.329259 0.308957 0.326664 Si\n0.750000 0.356627 -0.000000 Si\n0.170741 0.982292 0.673335 Si\n0.250000 0.643371 0.000000 Si\n0.829259 0.017705 0.326664 Si\n0.539201 0.547935 0.850587 O\n0.317768 0.656199 0.517086 O\n0.539699 0.036543 0.818977 O\n0.182232 0.139113 0.482913 O\n0.682232 0.343798 0.482913 O\n0.960301 0.217565 0.181022 O\n0.960800 0.697348 0.149412 O\n0.039699 0.782432 0.818978 O\n0.039200 0.302650 0.850587 O\n0.460301 0.963454 0.181022 O\n0.817768 0.860884 0.517086 O\n0.460800 0.452062 0.149412 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 4.085220293068326,
"density_atomic": 0.12283627328087912,
"volume": 146.53651986690406,
"volume_molar": 4.902575272883516,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4443685333333338,
"spacegroup": 15
}
]
}