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{
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"results": [
{
"id": "jvasp-31311",
"created_at": "2022-09-04T14:38:33.239248Z",
"updated_at": "2022-09-04T14:38:33.239273Z",
"structure_string": "K2 Li14 Pb3 O14\n1.0\n6.547872 -0.000000 -3.156526\n-1.829061 6.785737 -3.794189\n0.024837 0.015224 8.421211\nK Li Pb O\n2 14 3 14\ndirect\n0.242375 0.500000 -0.000000 K\n0.757625 0.500000 -0.000000 K\n0.139370 0.709549 0.733094 Li\n0.860630 0.976456 0.266906 Li\n0.593724 0.023544 0.733093 Li\n0.500000 0.841347 -0.000000 Li\n0.500000 0.158653 -0.000000 Li\n0.769607 0.414319 0.539213 Li\n0.230393 0.585680 0.460787 Li\n0.230393 0.875106 0.460787 Li\n0.769607 0.124894 0.539213 Li\n0.593724 0.709549 0.733093 Li\n0.860630 0.290451 0.266906 Li\n0.406276 0.976456 0.266906 Li\n0.139370 0.023544 0.733094 Li\n0.406276 0.290451 0.266906 Li\n0.727144 0.727144 0.454288 Pb\n0.000000 0.000000 0.000000 Pb\n0.272857 0.272856 0.545712 Pb\n0.045367 0.751521 0.503042 O\n0.542325 0.248479 0.496958 O\n0.954633 0.248479 0.496957 O\n0.457675 0.751521 0.503042 O\n0.702404 0.000000 -0.000000 O\n0.297596 0.000000 -0.000000 O\n0.873357 0.682234 0.746713 O\n0.126643 0.317766 0.253286 O\n0.126644 0.935521 0.253287 O\n0.873357 0.064480 0.746713 O\n0.626042 0.408908 0.252084 O\n0.373959 0.591092 0.747915 O\n0.373958 0.156823 0.747915 O\n0.626042 0.843177 0.252084 O\n",
"nsites": 33,
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],
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"formula_reduced": "K2Li14Pb3O14",
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{
"id": "jvasp-24241",
"created_at": "2022-09-04T14:38:32.418633Z",
"updated_at": "2022-09-04T14:38:32.418650Z",
"structure_string": "K2 Li6 Pb2 O8\n1.0\n-5.945894 0.011567 -0.008287\n-0.178532 -5.976161 0.032738\n2.154909 1.967301 6.315576\nK Li Pb O\n2 6 2 8\ndirect\n0.510631 0.990885 0.250460 K\n0.489368 0.009115 0.749540 K\n0.051394 0.126934 0.906605 Li\n0.948605 0.873066 0.093395 Li\n0.681883 0.459196 0.153802 Li\n0.064498 0.165351 0.447043 Li\n0.935501 0.834649 0.552957 Li\n0.318116 0.540804 0.846199 Li\n0.241314 0.494525 0.295033 Pb\n0.758685 0.505475 0.704968 Pb\n0.359504 0.361582 0.566709 O\n0.879754 0.168000 0.633405 O\n0.120245 0.832000 0.366595 O\n0.656097 0.673791 0.973183 O\n0.343902 0.326209 0.026818 O\n0.065461 0.769228 0.835324 O\n0.934538 0.230772 0.164676 O\n0.640495 0.638418 0.433292 O\n",
"nsites": 18,
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"elements": [
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"O"
],
"chemical_system": "K-Li-O-Pb",
"density": 4.893775042350554,
"density_atomic": 0.08010385981197415,
"volume": 224.7082730126983,
"volume_molar": 7.51791583343877,
"formula_full": "K2 Li6 Pb2 O8",
"formula_reduced": "KLi3PbO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.2604636466666663,
"spacegroup": 2
},
{
"id": "jvasp-58324",
"created_at": "2022-09-04T14:37:37.993661Z",
"updated_at": "2022-09-04T14:37:37.993678Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n5.075636 0.000000 0.054462\n2.537818 4.469259 0.027231\n-0.044531 0.000000 8.677431\nK Li S O\n2 2 2 8\ndirect\n0.960990 0.008686 0.494388 K\n0.969676 0.991314 0.994388 K\n0.632703 0.664452 0.308572 Li\n0.297155 0.335548 0.808572 Li\n0.298232 0.334009 0.197727 S\n0.632242 0.665991 0.697727 S\n0.013017 0.336755 0.240120 O\n0.349773 0.663245 0.740120 O\n0.562859 0.055295 0.254450 O\n0.618155 0.944705 0.754450 O\n0.663629 0.654920 0.527422 O\n0.318548 0.345080 0.027423 O\n0.898168 0.400697 0.764319 O\n0.298864 0.599303 0.264319 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.397385657411563,
"density_atomic": 0.07111921601997423,
"volume": 196.85256367376184,
"volume_molar": 8.467670338644691,
"formula_full": "K2 Li2 S2 O8",
"formula_reduced": "KLiSO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 9
},
{
"id": "jvasp-58322",
"created_at": "2022-09-04T14:37:34.308663Z",
"updated_at": "2022-09-04T14:37:34.308690Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557026 -4.428899 0.000000\n2.557026 4.428899 -0.000000\n0.000000 0.000000 8.705875\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.989774 K\n0.000000 0.000000 0.489774 K\n0.333334 0.666668 0.803264 Li\n0.666668 0.333334 0.303264 Li\n0.333334 0.666668 0.192357 S\n0.666668 0.333334 0.692357 S\n0.337554 0.943317 0.247563 O\n0.943317 0.605765 0.747563 O\n0.333334 0.666668 0.021913 O\n0.605765 0.662449 0.247563 O\n0.666668 0.333334 0.521913 O\n0.056684 0.394237 0.247563 O\n0.662448 0.056684 0.747563 O\n0.394237 0.337553 0.747563 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.3933468080357745,
"density_atomic": 0.07099940225520059,
"volume": 197.18475867836653,
"volume_molar": 8.481959803483964,
"formula_full": "K2 Li2 S2 O8",
"formula_reduced": "KLiSO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 173
},
{
"id": "jvasp-21436",
"created_at": "2022-09-04T14:38:33.296909Z",
"updated_at": "2022-09-04T14:38:33.296943Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557119 -4.429061 -0.000000\n2.557119 4.429061 -0.000000\n0.000000 -0.000000 8.700986\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.819503 K\n0.000000 0.000000 0.319503 K\n0.333333 0.666667 0.506163 Li\n0.666667 0.333333 0.006162 Li\n0.333333 0.666667 0.116991 S\n0.666667 0.333333 0.616991 S\n0.943288 0.605790 0.561774 O\n0.605790 0.943288 0.061774 O\n0.662502 0.056713 0.561774 O\n0.394210 0.337498 0.561774 O\n0.333333 0.666667 0.287522 O\n0.666667 0.333333 0.787522 O\n0.337498 0.394210 0.061774 O\n0.056713 0.662502 0.061774 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.394516927327699,
"density_atomic": 0.07103411422005873,
"volume": 197.08840116776815,
"volume_molar": 8.477814957111773,
"formula_full": "K2 Li2 S2 O8",
"formula_reduced": "KLiSO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5550488571428571,
"spacegroup": 159
},
{
"id": "jvasp-24955",
"created_at": "2022-09-04T14:38:31.980058Z",
"updated_at": "2022-09-04T14:38:31.980093Z",
"structure_string": "K2 Li2 Si4 O10\n1.0\n0.000000 5.996842 0.005456\n4.851216 0.000000 0.000000\n0.000000 -0.493190 -8.176626\nK Li Si O\n2 2 4 10\ndirect\n0.031906 0.309970 0.686178 K\n0.968094 0.809971 0.313822 K\n0.128498 0.298773 0.094226 Li\n0.871502 0.798773 0.905774 Li\n0.366580 0.782400 0.937617 Si\n0.558629 0.864522 0.606219 Si\n0.441371 0.364521 0.393781 Si\n0.633419 0.282400 0.062383 Si\n0.480458 0.697207 0.435717 O\n0.403632 0.109126 -0.002034 O\n0.364212 0.787924 0.735989 O\n0.635788 0.287924 0.264011 O\n0.143233 0.653341 0.998473 O\n0.596368 0.609127 0.002033 O\n0.809758 0.803439 0.671963 O\n0.190242 0.303438 0.328037 O\n0.519542 0.197206 0.564283 O\n0.856767 0.153341 0.001527 O\n",
"nsites": 18,
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"elements": [
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"O"
],
"chemical_system": "K-Li-O-Si",
"density": 2.5440248388182676,
"density_atomic": 0.07567440005661087,
"volume": 237.8611523386307,
"volume_molar": 7.957963003994652,
"formula_full": "K2 Li2 Si4 O10",
"formula_reduced": "KLiSi2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 4
},
{
"id": "jvasp-106473",
"created_at": "2022-09-04T14:36:52.663398Z",
"updated_at": "2022-09-04T14:36:52.663423Z",
"structure_string": "K2 Li2 Sn2 O4\n1.0\n5.656887 -0.019755 3.912280\n4.672638 3.188608 3.912280\n-0.211811 -0.064979 9.726802\nK Li Sn O\n2 2 2 4\ndirect\n0.487193 0.487191 0.716108 K\n0.512809 0.512807 0.283892 K\n0.239200 0.239199 0.423181 Li\n0.760802 0.760800 0.576818 Li\n0.188660 0.188659 0.850592 Sn\n0.811342 0.811340 0.149408 Sn\n0.833316 0.833314 0.342371 O\n0.186144 0.186143 0.269178 O\n0.813858 0.813855 0.730822 O\n0.166686 0.166685 0.657628 O\n",
"nsites": 10,
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],
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"density": 3.6451779856652884,
"density_atomic": 0.05578649789379337,
"volume": 179.25484440765672,
"volume_molar": 10.794979049348076,
"formula_full": "K2 Li2 Sn2 O4",
"formula_reduced": "KLiSnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.71823934,
"spacegroup": 12
},
{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.212245026668206,
"density_atomic": 0.09928588009424547,
"volume": 141.00695876101148,
"volume_molar": 6.0654553842737595,
"formula_full": "K1 Li6 Ta1 O6",
"formula_reduced": "KLi6TaO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.9828213,
"spacegroup": 166
},
{
"id": "jvasp-57488",
"created_at": "2022-09-04T14:36:32.592893Z",
"updated_at": "2022-09-04T14:36:32.592919Z",
"structure_string": "K2 Li4 U1 O6\n1.0\n3.022057 -5.234355 0.000000\n3.022057 5.234355 -0.000000\n0.000000 -0.000000 5.580856\nK Li U O\n2 4 1 6\ndirect\n0.333333 0.666668 0.544906 K\n0.666668 0.333333 0.455095 K\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 U\n0.669287 0.834643 0.208289 O\n0.330714 0.165358 0.791712 O\n0.834643 0.669287 0.791712 O\n0.165358 0.834643 0.208289 O\n0.834643 0.165358 0.791712 O\n0.165358 0.330714 0.208289 O\n",
"nsites": 13,
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],
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"density_atomic": 0.07362862916508156,
"volume": 176.56175522231862,
"volume_molar": 8.179074944472829,
"formula_full": "K2 Li4 U1 O6",
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"formula_anonymous": "AB2C4D6",
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},
{
"id": "jvasp-57404",
"created_at": "2022-09-04T14:38:33.843377Z",
"updated_at": "2022-09-04T14:38:33.843390Z",
"structure_string": "K4 Li2 V2 O8\n1.0\n5.688623 0.007788 0.019785\n0.439412 5.671631 0.019785\n0.004035 0.003739 7.520222\nK Li V O\n4 2 2 8\ndirect\n0.702403 0.702405 0.824954 K\n0.784067 0.215933 0.500001 K\n0.297595 0.297596 0.175047 K\n0.215932 0.784068 0.500001 K\n0.823373 0.176626 0.000001 Li\n0.176626 0.823374 0.000001 Li\n0.713782 0.713783 0.245399 V\n0.286216 0.286217 0.754602 V\n0.205040 0.569027 0.829125 O\n0.092924 0.092925 0.840722 O\n0.569026 0.205042 0.829125 O\n0.907074 0.907075 0.159279 O\n0.279235 0.279235 0.524252 O\n0.430972 0.794959 0.170876 O\n0.794958 0.430973 0.170876 O\n0.720764 0.720765 0.475749 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "K-Li-O-V",
"density": 2.738907709988255,
"density_atomic": 0.06595105882453492,
"volume": 242.6041413917031,
"volume_molar": 9.131226802623615,
"formula_full": "K4 Li2 V2 O8",
"formula_reduced": "K2LiVO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 12
},
{
"id": "jvasp-26383",
"created_at": "2022-09-04T14:37:50.937705Z",
"updated_at": "2022-09-04T14:37:50.937723Z",
"structure_string": "K2 Li2 Zn2 O4\n1.0\n3.266551 -0.000037 0.754496\n1.417210 5.330220 1.312688\n0.001496 -0.002614 7.443889\nK Li Zn O\n2 2 2 4\ndirect\n0.162315 0.305953 0.369306 K\n0.837686 0.694047 0.630695 K\n0.658895 0.627409 0.054787 Li\n0.341106 0.372590 0.945214 Li\n0.954316 0.906660 0.184668 Zn\n0.045684 0.093339 0.815333 Zn\n0.537115 0.233820 0.692049 O\n0.462886 0.766180 0.307952 O\n0.163019 0.736166 0.937827 O\n0.836981 0.263834 0.062174 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "K-Li-O-Zn",
"density": 3.67558998335208,
"density_atomic": 0.07715359970135903,
"volume": 129.61158051869683,
"volume_molar": 7.805391820096661,
"formula_full": "K2 Li2 Zn2 O4",
"formula_reduced": "KLiZnO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
},
{
"id": "jvasp-102734",
"created_at": "2022-09-04T14:36:56.771343Z",
"updated_at": "2022-09-04T14:36:56.771365Z",
"structure_string": "K1 Li1 Zn3 O4\n1.0\n4.489734 0.006398 4.073007\n3.245865 3.101953 4.073007\n0.036289 0.014582 8.178464\nK Li Zn O\n1 1 3 4\ndirect\n0.995083 0.995085 -0.001207 K\n0.181750 0.181750 0.188298 Li\n0.800841 0.800841 0.841848 Zn\n0.630468 0.630468 0.532448 Zn\n0.375924 0.375924 0.442689 Zn\n0.240701 0.240700 0.359654 O\n0.766682 0.766682 0.637011 O\n0.405503 0.405503 0.820983 O\n0.603043 0.603043 0.178284 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "K-Li-O-Zn",
"density": 4.492617428605132,
"density_atomic": 0.07950547580278035,
"volume": 113.19975019488237,
"volume_molar": 7.574498107449101,
"formula_full": "K1 Li1 Zn3 O4",
"formula_reduced": "KLiZn3O4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.4251825777777778,
"spacegroup": 8
}
]
}