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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=367",
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"results": [
{
"id": "jvasp-113155",
"created_at": "2022-09-04T14:38:44.724381Z",
"updated_at": "2022-09-04T14:38:44.724410Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n5.066527 0.003847 2.956016\n1.703326 9.514157 -2.930968\n-0.027304 0.003486 5.865831\nLi Ti Cr O\n4 2 6 16\ndirect\n0.937725 0.186848 0.124543 Li\n0.437698 0.686850 0.124567 Li\n0.562300 0.313151 0.875435 Li\n0.062280 0.813153 0.875455 Li\n0.749998 0.750001 0.500002 Ti\n0.250003 0.250000 0.499997 Ti\n-0.000002 0.500000 0.500001 Cr\n0.000002 0.000000 0.499999 Cr\n0.500000 0.500001 0.500001 Cr\n-0.000003 0.500000 0.000002 Cr\n0.500003 0.000001 0.499999 Cr\n0.500002 0.000001 -0.000001 Cr\n0.095968 0.618786 0.261428 O\n0.357389 0.381223 0.738597 O\n0.857391 0.881223 0.738597 O\n0.904032 0.381214 0.738573 O\n0.404021 0.881217 0.738583 O\n0.595984 0.118785 0.261416 O\n0.142615 0.118777 0.261400 O\n0.368438 0.894699 0.263114 O\n0.142638 0.118789 0.714750 O\n0.642626 0.618789 0.714764 O\n0.131567 0.605302 0.736882 O\n0.631568 0.105301 0.736882 O\n0.857367 0.881211 0.285247 O\n0.868430 0.394699 0.263121 O\n0.642609 0.618779 0.261406 O\n0.357371 0.381212 0.285239 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"Cr",
"O"
],
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"density": 4.049332690028529,
"density_atomic": 0.0987466091055593,
"volume": 283.554040524756,
"volume_molar": 6.098579803952947,
"formula_full": "Li4 Ti2 Cr6 O16",
"formula_reduced": "Li2TiCr3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-112192",
"created_at": "2022-09-04T14:38:44.727054Z",
"updated_at": "2022-09-04T14:38:44.727078Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.177594 -0.006561 -0.646738\n-0.536071 7.620613 -0.907912\n-0.186629 0.055463 10.859189\nH Pb C O\n16 2 12 8\ndirect\n0.238114 0.833347 0.680568 H\n0.579802 0.132656 0.284461 H\n0.545926 0.631142 0.302259 H\n0.526361 0.348949 0.339924 H\n0.533794 0.858980 0.337149 H\n0.098023 0.883333 0.455448 H\n0.135648 0.156289 0.413352 H\n0.131861 0.657802 0.411628 H\n0.107387 0.381608 0.459014 H\n0.652183 0.806704 0.571203 H\n0.676678 0.082884 0.523828 H\n0.685998 0.581172 0.527374 H\n0.257718 0.115525 0.642910 H\n0.250246 0.605511 0.645657 H\n0.204308 0.331821 0.698372 H\n0.648448 0.308205 0.569497 H\n0.149884 0.489056 0.015275 Pb\n0.634025 0.975463 0.967563 Pb\n0.711514 0.260852 0.317838 C\n0.833216 0.330007 0.208420 C\n0.809042 0.787740 0.198156 C\n0.966431 0.254263 0.434985 C\n0.961680 0.754468 0.433944 C\n0.695847 0.754880 0.319062 C\n0.975022 0.676721 0.784661 C\n0.822351 0.710034 0.548879 C\n0.072578 0.203628 0.665001 C\n0.088194 0.709607 0.663757 C\n0.950903 0.134489 0.774430 C\n0.817648 0.210225 0.547858 C\n0.675286 0.687343 0.094802 O\n0.774474 0.550900 0.787887 O\n0.696454 0.032523 0.754026 O\n0.108771 0.777106 0.888018 O\n0.115539 0.173531 0.887314 O\n0.009624 0.913542 0.194925 O\n0.087642 0.431995 0.228840 O\n0.668626 0.290967 0.095528 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.382146615316522,
"density_atomic": 0.11015075626009942,
"volume": 344.98174402244183,
"volume_molar": 5.467180584561667,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.3949981484210525,
"spacegroup": 2
},
{
"id": "jvasp-116868",
"created_at": "2022-09-04T14:38:46.649450Z",
"updated_at": "2022-09-04T14:38:46.649468Z",
"structure_string": "Li4 Fe3 Ni3 O12\n1.0\n5.607077 -0.085641 -1.271876\n-0.462237 5.614092 -1.357283\n-0.010217 -0.018738 6.385060\nLi Fe Ni O\n4 3 3 12\ndirect\n0.809393 0.850610 0.347869 Li\n0.190606 0.149389 0.652130 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.500000 0.000000 Li\n0.162000 0.663892 0.656965 Fe\n0.500000 0.000000 -0.000000 Fe\n0.838000 0.336108 0.343035 Fe\n0.663407 0.669133 0.666754 Ni\n0.000000 0.000000 0.000000 Ni\n0.336592 0.330866 0.333246 Ni\n0.602515 0.556067 0.349001 O\n0.261539 0.225441 0.009025 O\n0.933130 0.886324 0.677886 O\n0.413403 0.897705 0.688724 O\n0.919753 0.433534 0.657489 O\n0.253121 0.758099 0.973555 O\n0.066869 0.113676 0.322114 O\n0.738460 0.774558 0.990974 O\n0.586596 0.102294 0.311276 O\n0.746879 0.241900 0.026445 O\n0.397484 0.443933 0.650998 O\n0.080247 0.566466 0.342511 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.665550104422954,
"density_atomic": 0.10971883376353475,
"volume": 200.51252137271385,
"volume_molar": 5.488702853859051,
"formula_full": "Li4 Fe3 Ni3 O12",
"formula_reduced": "Li4Fe3(NiO4)3",
"formula_anonymous": "A3B3C4D12",
"energy_above_hull": 2.535784804545454,
"spacegroup": 2
},
{
"id": "jvasp-110352",
"created_at": "2022-09-04T14:38:39.154758Z",
"updated_at": "2022-09-04T14:38:39.154780Z",
"structure_string": "K2 In1 Sb1 Cl6\n1.0\n6.783217 -0.000000 3.916292\n2.261073 6.395279 3.916292\n0.000000 0.000000 7.832585\nK In Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 Sb\n0.760012 0.239988 0.239988 Cl\n0.239988 0.239988 0.760011 Cl\n0.239988 0.760012 0.760011 Cl\n0.239988 0.760012 0.239988 Cl\n0.760012 0.239988 0.760011 Cl\n0.760012 0.760012 0.239988 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Sb",
"Cl"
],
"chemical_system": "Cl-In-K-Sb",
"density": 2.5778945355414087,
"density_atomic": 0.02943063800862818,
"volume": 339.7819645319378,
"volume_molar": 20.46214818120656,
"formula_full": "K2 In1 Sb1 Cl6",
"formula_reduced": "K2InSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-111930",
"created_at": "2022-09-04T14:38:44.737743Z",
"updated_at": "2022-09-04T14:38:44.737765Z",
"structure_string": "Li2 Mn6 O2 F10\n1.0\n6.214994 -0.018002 -0.268298\n-0.241709 6.258846 -0.262437\n-0.008068 -0.021364 6.251898\nLi Mn O F\n2 6 2 10\ndirect\n0.488221 0.502212 0.514100 Li\n0.007033 0.016102 0.023074 Li\n0.726705 0.445488 0.913390 Mn\n0.065628 0.242335 0.550165 Mn\n0.589419 0.077867 0.263460 Mn\n0.437102 0.905937 0.752407 Mn\n0.926826 0.759171 0.426176 Mn\n0.262748 0.565820 0.057645 Mn\n0.460763 0.597169 0.819733 O\n0.909356 0.061481 0.321516 O\n0.933101 0.681974 0.073668 F\n0.688406 0.096904 0.909625 F\n0.067056 0.307856 0.900492 F\n0.406479 0.184252 0.548874 F\n0.817082 0.474102 0.582987 F\n0.187102 0.534707 0.390160 F\n0.545072 0.403603 0.205040 F\n0.090677 0.909582 0.705819 F\n0.576596 0.794800 0.448986 F\n0.314617 0.938649 0.092674 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.8624877300326284,
"density_atomic": 0.08226606025715122,
"volume": 243.11362349774663,
"volume_molar": 7.320322306885369,
"formula_full": "Li2 Mn6 O2 F10",
"formula_reduced": "LiMn3OF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.577300663663793,
"spacegroup": 1
},
{
"id": "jvasp-112166",
"created_at": "2022-09-04T14:38:43.380966Z",
"updated_at": "2022-09-04T14:38:43.380992Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.979400 0.039162 0.281456\n-0.843888 3.869634 -0.193331\n0.671732 -0.060153 7.762560\nCd H C O\n1 4 4 4\ndirect\n0.809636 0.265858 0.261407 Cd\n0.527550 0.081858 0.665318 H\n0.066680 -0.017719 0.709304 H\n0.552565 0.549323 0.813498 H\n0.091696 0.449865 0.857521 H\n0.282759 0.653794 0.516814 C\n0.301206 0.872191 0.684095 C\n0.318080 0.659483 0.838716 C\n0.336673 0.877881 0.005992 C\n0.522543 0.724611 0.387047 O\n0.027199 0.402465 0.511672 O\n0.592308 0.129160 0.011085 O\n0.096987 0.807100 0.135803 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.187686177182635,
"density_atomic": 0.10922338138020465,
"volume": 119.02213459906748,
"volume_molar": 5.513600370086543,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.929642596153847,
"spacegroup": 2
},
{
"id": "jvasp-113258",
"created_at": "2022-09-04T14:38:47.868572Z",
"updated_at": "2022-09-04T14:38:47.868597Z",
"structure_string": "Li16 V2 O10 F2\n1.0\n5.571655 0.000000 0.000000\n-2.785827 4.825195 0.000000\n-0.000000 -0.000000 10.760505\nLi V O F\n16 2 10 2\ndirect\n0.976027 0.682685 0.771452 Li\n0.706660 0.023973 0.771452 Li\n0.666667 0.333333 0.429995 Li\n0.666667 0.333333 0.915608 Li\n0.383952 0.016835 0.621735 Li\n0.682686 0.706658 0.271452 Li\n0.293340 0.976026 0.271452 Li\n0.632884 0.616048 0.621735 Li\n0.616048 0.983164 0.121735 Li\n0.317314 0.293341 0.771452 Li\n0.333333 0.666666 0.929995 Li\n0.333333 0.666666 0.415608 Li\n0.023973 0.317314 0.271452 Li\n0.983166 0.367115 0.621735 Li\n0.016834 0.632884 0.121735 Li\n0.367116 0.383951 0.121735 Li\n0.000000 0.000000 0.985493 V\n0.000000 0.000000 0.485493 V\n0.671282 0.998620 0.947808 O\n0.666667 0.333333 0.710882 O\n0.672661 0.671281 0.447809 O\n0.328718 0.001379 0.447809 O\n0.327339 0.328718 0.947808 O\n0.998621 0.327338 0.447809 O\n0.000000 0.000000 0.675156 O\n0.333333 0.666666 0.210882 O\n0.001379 0.672661 0.947808 O\n0.000000 0.000000 0.175157 O\n0.333333 0.666666 0.705516 F\n0.666667 0.333333 0.205516 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.3587667730263,
"density_atomic": 0.10370256898515579,
"volume": 289.2888796640541,
"volume_molar": 5.807127845465451,
"formula_full": "Li16 V2 O10 F2",
"formula_reduced": "Li8VO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.6560814655000002,
"spacegroup": 173
},
{
"id": "jvasp-112453",
"created_at": "2022-09-04T14:38:40.307730Z",
"updated_at": "2022-09-04T14:38:40.307759Z",
"structure_string": "Li3 V3 Si6 O18\n1.0\n7.126753 0.019796 1.507421\n-0.363694 6.434512 -3.439408\n-0.078561 0.046013 7.023319\nLi V Si O\n3 3 6 18\ndirect\n0.241817 0.760446 0.376443 Li\n0.500000 0.500000 0.500000 Li\n0.758184 0.239553 0.623557 Li\n0.226202 0.741840 0.953249 V\n0.500000 0.500000 -0.000000 V\n0.773798 0.258160 0.046750 V\n0.830944 0.709669 0.760086 Si\n0.842429 0.754136 0.322347 Si\n0.386309 0.018050 0.795083 Si\n0.157571 0.245864 0.677652 Si\n0.169056 0.290331 0.239914 Si\n0.613692 0.981950 0.204917 Si\n0.726467 0.959805 0.375749 O\n0.829511 0.752043 0.553217 O\n0.764610 0.932258 0.976158 O\n0.673270 0.523682 0.755295 O\n0.561454 0.192172 0.852857 O\n0.716359 0.555620 0.163677 O\n0.579533 0.220630 0.282622 O\n0.273533 0.040195 0.624250 O\n0.170489 0.247957 0.446783 O\n0.283641 0.444380 0.836322 O\n0.438547 0.807828 0.147142 O\n0.326730 0.476318 0.244705 O\n0.235390 0.067741 0.023841 O\n0.963385 0.333799 0.227656 O\n0.036615 0.666201 0.772344 O\n0.057426 0.770766 0.219315 O\n0.420468 0.779370 0.717378 O\n0.942574 0.229234 0.780685 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-O-Si-V",
"density": 3.229691462291313,
"density_atomic": 0.09259540996691694,
"volume": 323.99014174372775,
"volume_molar": 6.503714128110269,
"formula_full": "Li3 V3 Si6 O18",
"formula_reduced": "LiV(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.8193362400000006,
"spacegroup": 2
},
{
"id": "jvasp-118990",
"created_at": "2022-09-04T14:38:48.247223Z",
"updated_at": "2022-09-04T14:38:48.247253Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.975006 0.032865 2.100461\n5.284092 2.789291 2.100461\n0.158924 0.039835 14.012254\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.064169 0.064169 0.153728 Li\n0.635341 0.635339 0.299254 Li\n0.935831 0.935830 0.846271 Li\n0.364660 0.364661 0.700746 Li\n0.200481 0.200482 0.436284 Li\n0.799519 0.799517 0.563716 Li\n0.500000 0.500000 0.500000 Li\n0.213619 0.213622 0.928666 Mn\n0.786381 0.786378 0.071333 Mn\n0.071604 0.071606 0.639376 Co\n0.644773 0.644773 0.784857 Co\n0.355228 0.355227 0.215143 Co\n0.928396 0.928393 0.360624 Co\n0.062991 0.062992 0.389514 O\n0.650410 0.650407 0.030136 O\n0.223125 0.223125 0.168266 O\n0.798316 0.798313 0.309427 O\n0.082027 0.082030 0.887377 O\n0.514613 0.514613 0.742463 O\n0.361306 0.361306 0.450248 O\n0.937010 0.937008 0.610486 O\n0.349591 0.349593 0.969863 O\n0.917974 0.917970 0.112622 O\n0.485387 0.485386 0.257537 O\n0.776875 0.776875 0.831733 O\n0.201684 0.201686 0.690573 O\n0.638694 0.638693 0.549752 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.510961003339332,
"density_atomic": 0.12167706579774046,
"volume": 230.11731764261495,
"volume_molar": 4.949281707705208,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5581981100985223,
"spacegroup": 12
},
{
"id": "jvasp-113006",
"created_at": "2022-09-04T14:38:44.750798Z",
"updated_at": "2022-09-04T14:38:44.750831Z",
"structure_string": "Sm4 Zn2 Pt2 O12\n1.0\n5.842721 0.000000 0.000000\n-0.000000 4.457508 3.090971\n0.000000 0.008080 9.443554\nSm Zn Pt O\n4 2 2 12\ndirect\n0.424622 0.228667 0.749385 Sm\n0.575378 0.771333 0.250615 Sm\n0.924622 0.771333 0.750614 Sm\n0.075378 0.228667 0.249385 Sm\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.500000 -0.000000 0.500000 Pt\n0.808575 0.254399 0.054817 O\n0.191424 0.745601 0.945183 O\n0.800510 0.875755 0.442688 O\n0.199490 0.124245 0.557311 O\n0.300510 0.124245 0.057311 O\n0.960049 0.636629 0.248577 O\n0.460049 0.363371 0.251422 O\n0.539951 0.636629 0.748577 O\n0.691424 0.254399 0.554816 O\n0.039951 0.363371 0.751422 O\n0.699490 0.875755 0.942688 O\n0.308575 0.745601 0.445183 O\n",
"nsites": 20,
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"elements": [
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"Zn",
"Pt",
"O"
],
"chemical_system": "O-Pt-Sm-Zn",
"density": 8.879691092122709,
"density_atomic": 0.08136637984873743,
"volume": 245.80176772249925,
"volume_molar": 7.401264221408575,
"formula_full": "Sm4 Zn2 Pt2 O12",
"formula_reduced": "Sm2ZnPtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.981241055,
"spacegroup": 14
},
{
"id": "jvasp-112836",
"created_at": "2022-09-04T14:38:44.756187Z",
"updated_at": "2022-09-04T14:38:44.756215Z",
"structure_string": "Li4 Co2 P4 O14\n1.0\n5.118528 0.067311 0.421136\n2.951892 4.182128 0.421136\n-0.193042 -0.101645 11.729444\nLi Co P O\n4 2 4 14\ndirect\n0.608670 0.089306 0.693390 Li\n0.910694 0.391330 0.806611 Li\n0.089307 0.608669 0.193390 Li\n0.391331 0.910693 0.306611 Li\n0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.000000 Co\n0.661275 0.229773 0.369327 P\n0.770227 0.338725 0.130673 P\n0.229774 0.661274 0.869327 P\n0.338726 0.770226 0.630673 P\n0.938711 0.821126 0.948641 O\n0.485058 0.342421 0.099095 O\n0.096103 0.903897 0.750000 O\n0.178874 0.061289 0.551359 O\n0.672458 0.669573 0.665722 O\n0.327543 0.330426 0.334278 O\n0.669574 0.672457 0.165722 O\n0.903898 0.096102 0.250000 O\n0.514943 0.657578 0.900905 O\n0.061290 0.178873 0.051359 O\n0.330427 0.327542 0.834278 O\n0.342422 0.485057 0.599095 O\n0.821127 0.938710 0.448641 O\n0.657579 0.514942 0.400906 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.2887894406238543,
"density_atomic": 0.09631547325804571,
"volume": 249.1811459587586,
"volume_molar": 6.252516398757289,
"formula_full": "Li4 Co2 P4 O14",
"formula_reduced": "Li2CoP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6206397,
"spacegroup": 15
},
{
"id": "jvasp-113187",
"created_at": "2022-09-04T14:38:47.205440Z",
"updated_at": "2022-09-04T14:38:47.205461Z",
"structure_string": "K2 Mn2 Se4 O16\n1.0\n5.573246 -0.010728 0.195343\n0.271434 7.767075 0.996730\n-0.015183 0.077099 8.114460\nK Mn Se O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500001 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.006137 0.207727 0.617040 Se\n0.506138 0.207726 0.117040 Se\n0.993863 0.792273 0.382959 Se\n0.493863 0.792273 0.882960 Se\n0.275313 0.193449 -0.006567 O\n0.775314 0.193448 0.493433 O\n0.493594 0.604405 0.814219 O\n0.993594 0.604405 0.314219 O\n0.506406 0.395594 0.185781 O\n0.006406 0.395594 0.685781 O\n0.502699 0.028559 0.262442 O\n0.233863 0.810410 0.000498 O\n0.497302 0.971440 0.737557 O\n0.997302 0.971440 0.237557 O\n0.224687 0.806551 0.506567 O\n0.733864 0.810409 0.500497 O\n0.766137 0.189590 -0.000498 O\n0.266137 0.189590 0.499502 O\n0.002699 0.028559 0.762443 O\n0.724687 0.806551 0.006567 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Mn",
"Se",
"O"
],
"chemical_system": "K-Mn-O-Se",
"density": 3.596241139060257,
"density_atomic": 0.0683994703181675,
"volume": 350.8799101566345,
"volume_molar": 8.804367536747527,
"formula_full": "K2 Mn2 Se4 O16",
"formula_reduced": "KMn(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.487081664559387,
"spacegroup": 2
}
]
}