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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4551",
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"results": [
{
"id": "jvasp-5278",
"created_at": "2022-09-04T14:36:09.328722Z",
"updated_at": "2022-09-04T14:36:09.328745Z",
"structure_string": "K2 H2 C2 O6\n1.0\n3.671858 0.103657 0.032307\n-0.233168 5.626930 0.042790\n-1.592225 -2.516817 7.195606\nK H C O\n2 2 2 6\ndirect\n0.295316 0.174598 0.330166 K\n0.704686 0.825402 0.669835 K\n0.458094 0.293676 0.972193 H\n0.541907 0.706325 0.027808 H\n0.137763 0.376796 0.764012 C\n0.862239 0.623205 0.235989 C\n0.105527 0.705747 0.384851 O\n0.894474 0.294254 0.615150 O\n0.271851 0.206965 0.847971 O\n0.728151 0.793035 0.152030 O\n0.265549 0.606060 0.840292 O\n0.734453 0.393941 0.159709 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"H",
"C",
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],
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"density": 2.223402186839919,
"density_atomic": 0.08024545102690155,
"volume": 149.54118702600488,
"volume_molar": 7.504650647400727,
"formula_full": "K2 H2 C2 O6",
"formula_reduced": "KHCO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-44621",
"created_at": "2022-09-04T14:36:10.081145Z",
"updated_at": "2022-09-04T14:36:10.081162Z",
"structure_string": "Li5 Mn3 Nb2 O10\n1.0\n5.311830 0.069730 0.035580\n1.032521 5.121436 0.000193\n2.608117 2.102202 7.251939\nLi Mn Nb O\n5 3 2 10\ndirect\n0.528490 0.780376 0.399617 Li\n0.506277 0.602252 0.786374 Li\n0.000000 0.500000 0.500000 Li\n0.493724 0.397748 0.213626 Li\n0.471511 0.219624 0.600382 Li\n0.500000 -0.000000 -0.000000 Mn\n0.989403 0.306937 0.899043 Mn\n0.010598 0.693063 0.100957 Mn\n0.993071 0.092952 0.323151 Nb\n0.006930 0.907048 0.676849 Nb\n0.248852 0.336166 0.058269 O\n0.233062 0.952985 0.846363 O\n0.751148 0.663835 0.941731 O\n0.747433 0.837740 0.548848 O\n0.257885 0.775445 0.243052 O\n0.230010 0.561284 0.654859 O\n0.769991 0.438717 0.345140 O\n0.742116 0.224555 0.756948 O\n0.252567 0.162260 0.451152 O\n0.766939 0.047015 0.153636 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.611584549852078,
"density_atomic": 0.10185326444271539,
"volume": 196.36091301961616,
"volume_molar": 5.9125652898312255,
"formula_full": "Li5 Mn3 Nb2 O10",
"formula_reduced": "Li5Mn3Nb2O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.1337572762068966,
"spacegroup": 2
},
{
"id": "jvasp-48235",
"created_at": "2022-09-04T14:36:10.060577Z",
"updated_at": "2022-09-04T14:36:10.060602Z",
"structure_string": "Li2 Mn3 Sb1 O8\n1.0\n5.939349 0.011076 -0.002529\n0.000556 5.932936 0.047633\n-2.965323 -2.758085 4.409937\nLi Mn Sb O\n2 3 1 8\ndirect\n0.500027 0.000041 0.500041 Li\n0.000026 0.000077 0.500050 Li\n0.500000 -0.000020 0.000001 Mn\n0.499979 0.499991 0.499964 Mn\n-0.000037 0.499996 0.499924 Mn\n0.000000 -0.000035 -0.000001 Sb\n0.294230 0.752609 0.564598 O\n0.268862 0.790270 0.020085 O\n0.763444 0.802119 0.042324 O\n0.241102 0.256071 0.459268 O\n0.758885 0.743928 0.540725 O\n0.236561 0.197862 0.957703 O\n0.731157 0.209701 0.979923 O\n0.705771 0.247391 0.435396 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.556827726245291,
"density_atomic": 0.08966852955284754,
"volume": 156.13058527684322,
"volume_molar": 6.7160025819880955,
"formula_full": "Li2 Mn3 Sb1 O8",
"formula_reduced": "Li2Mn3SbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9633382731527096,
"spacegroup": 2
},
{
"id": "jvasp-99265",
"created_at": "2022-09-04T14:36:11.580307Z",
"updated_at": "2022-09-04T14:36:11.580343Z",
"structure_string": "Ag2 Pd2 F12\n1.0\n4.882949 0.020247 1.154228\n2.262191 4.336769 1.183988\n0.063787 0.024356 10.129129\nAg Pd F\n2 2 12\ndirect\n0.500000 0.500001 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.275577 0.231481 0.249969 Pd\n0.724423 0.768521 0.750032 Pd\n0.936323 0.509442 0.366028 F\n0.063676 0.490559 0.633972 F\n0.617850 0.946210 0.132822 F\n0.382150 0.053791 0.867178 F\n0.670831 0.428328 0.865578 F\n0.329169 0.571674 0.134424 F\n0.011409 0.709562 0.867530 F\n-0.011409 0.290439 0.132470 F\n0.441045 0.823064 0.632244 F\n0.558954 0.176938 0.367756 F\n0.786870 0.110962 0.633705 F\n0.213130 0.889040 0.366295 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"F"
],
"chemical_system": "Ag-F-Pd",
"density": 5.10321268889522,
"density_atomic": 0.07489312639673859,
"volume": 213.63776316723187,
"volume_molar": 8.040979259028838,
"formula_full": "Ag2 Pd2 F12",
"formula_reduced": "AgPdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-97595",
"created_at": "2022-09-04T14:36:10.660422Z",
"updated_at": "2022-09-04T14:36:10.660439Z",
"structure_string": "Mg3 V6 Fe4 O24\n1.0\n6.325012 -0.114201 -1.706893\n-2.380235 7.226612 -2.172153\n0.021176 -0.127235 9.662978\nMg V Fe O\n3 6 4 24\ndirect\n0.000000 0.500000 0.500000 Mg\n0.276525 0.291575 0.796954 Mg\n0.723475 0.708425 0.203047 Mg\n0.784319 0.343741 0.734671 V\n0.600789 0.254104 0.130181 V\n0.118287 0.105486 0.337838 V\n0.399211 0.745897 0.869820 V\n0.881713 0.894514 0.662163 V\n0.215681 0.656260 0.265330 V\n0.955881 0.803550 0.987789 Fe\n0.376704 0.962416 0.601435 Fe\n0.623296 0.037584 0.398566 Fe\n0.044118 0.196450 0.012212 Fe\n0.874319 0.983817 0.355719 O\n0.766112 0.188326 0.027746 O\n0.233888 0.811674 0.972255 O\n0.009496 0.718753 0.154100 O\n0.990504 0.281247 0.845901 O\n0.838505 0.669909 0.577831 O\n0.435734 0.875817 0.758631 O\n0.161495 0.330092 0.422170 O\n0.254184 0.516662 0.742214 O\n0.745816 0.483339 0.257787 O\n0.793176 0.290681 0.543917 O\n0.206823 0.709319 0.456084 O\n0.651705 0.959209 0.569821 O\n0.348294 0.040792 0.430180 O\n0.657887 0.763103 0.004568 O\n0.342113 0.236897 0.995433 O\n0.477322 0.776918 0.266406 O\n0.522677 0.223083 0.733595 O\n0.125681 0.016183 0.644282 O\n0.081087 0.056186 0.139475 O\n0.918913 0.943815 0.860526 O\n0.564266 0.124183 0.241370 O\n0.172010 0.428365 0.172154 O\n0.827990 0.571635 0.827847 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O-V",
"density": 3.7459307776559436,
"density_atomic": 0.084657700695676,
"volume": 437.05415686880116,
"volume_molar": 7.11351797947849,
"formula_full": "Mg3 V6 Fe4 O24",
"formula_reduced": "Mg3V6(FeO6)4",
"formula_anonymous": "A3B4C6D24",
"energy_above_hull": 3.2699091445945947,
"spacegroup": 2
},
{
"id": "jvasp-62535",
"created_at": "2022-09-04T14:36:10.982438Z",
"updated_at": "2022-09-04T14:36:10.982460Z",
"structure_string": "Tb10 B2 Br15\n1.0\n8.959075 -0.008841 0.000092\n-3.459518 9.088318 0.005814\n-4.379009 -1.895159 9.392372\nTb B Br\n10 2 15\ndirect\n0.275094 0.924338 0.950473 Tb\n0.801544 0.411473 0.279987 Tb\n0.674888 0.743523 0.819693 Tb\n0.325111 0.256477 0.180306 Tb\n0.525020 0.701587 0.096606 Tb\n0.198454 0.588527 0.720012 Tb\n0.584016 0.038123 0.325717 Tb\n0.415983 0.961877 0.674282 Tb\n0.724905 0.075662 0.049526 Tb\n0.474979 0.298413 0.903394 Tb\n0.532573 0.181780 0.123800 B\n0.467425 0.818220 0.876200 B\n0.717897 0.243622 0.819958 Br\n0.356615 0.116464 0.418168 Br\n0.885973 0.295833 0.534421 Br\n0.114026 0.704167 0.465578 Br\n0.282102 0.756378 0.180041 Br\n0.062490 0.348107 0.232564 Br\n0.841855 0.942396 0.301516 Br\n0.594524 0.541865 0.350937 Br\n0.405475 0.458135 0.649062 Br\n0.777181 0.592730 0.059227 Br\n0.222818 0.407270 0.940772 Br\n0.643384 0.883536 0.581831 Br\n0.158144 0.057604 0.698483 Br\n0.937509 0.651893 0.767435 Br\n0.000000 0.000000 0.000000 Br\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 6.101698340968513,
"density_atomic": 0.03531395292829714,
"volume": 764.5703117637913,
"volume_molar": 17.053148290217166,
"formula_full": "Tb10 B2 Br15",
"formula_reduced": "Tb10B2Br15",
"formula_anonymous": "A2B10C15",
"energy_above_hull": 0.9840855830246912,
"spacegroup": 2
},
{
"id": "jvasp-97004",
"created_at": "2022-09-04T14:36:11.091524Z",
"updated_at": "2022-09-04T14:36:11.091546Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.541532 -0.000873 0.141080\n1.439716 7.394833 1.675665\n-0.017304 -0.003255 8.527656\nRb Mn O\n6 6 12\ndirect\n0.158407 0.113138 0.118500 Rb\n0.841594 0.886862 0.881501 Rb\n0.822737 0.873892 0.469489 Rb\n0.017450 0.456525 0.764726 Rb\n0.177264 0.126108 0.530512 Rb\n0.982551 0.543475 0.235275 Rb\n0.582860 0.319073 0.784851 Mn\n0.597617 0.320862 0.117515 Mn\n0.402384 0.679138 0.882487 Mn\n0.400211 0.674860 0.550143 Mn\n0.417141 0.680927 0.215150 Mn\n0.599790 0.325140 0.449859 Mn\n0.388918 0.384351 0.605041 O\n0.228000 0.779472 0.362784 O\n0.790492 0.236937 0.298398 O\n0.226687 0.770870 0.037246 O\n0.611083 0.615648 0.394960 O\n0.388106 0.381853 0.944818 O\n0.603218 0.628846 0.722180 O\n0.772001 0.220528 0.637217 O\n0.773314 0.229129 0.962755 O\n0.396783 0.371154 0.277821 O\n0.209509 0.763063 0.701604 O\n0.611895 0.618146 0.055183 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 4.163366256419147,
"density_atomic": 0.058171002620619264,
"volume": 412.5766948959716,
"volume_molar": 10.35247887899631,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5833810603448275,
"spacegroup": 2
},
{
"id": "jvasp-86623",
"created_at": "2022-09-04T14:36:11.104277Z",
"updated_at": "2022-09-04T14:36:11.104298Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071001 0.015898 -1.672009\n-1.520523 6.324554 -2.366871\n-0.047162 -0.004790 6.978407\nMn V Bi O\n2 2 2 10\ndirect\n0.324567 0.361722 0.224961 Mn\n0.675434 0.638278 0.775039 Mn\n0.654958 0.182086 0.885163 V\n0.345043 0.817913 0.114838 V\n0.089288 0.758457 0.524713 Bi\n0.910712 0.241542 0.475287 Bi\n0.228600 0.649601 0.224797 O\n0.429321 0.086137 0.293957 O\n0.632548 0.757811 0.073480 O\n0.570679 0.913862 0.706043 O\n0.727929 0.500436 0.444630 O\n0.771400 0.350399 0.775203 O\n0.915725 0.217086 0.132916 O\n0.084276 0.782914 0.867084 O\n0.367453 0.242188 0.926520 O\n0.272071 0.499564 0.555370 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Bi-Mn-O-V",
"density": 5.869644903035299,
"density_atomic": 0.07161647432491902,
"volume": 223.4122825903032,
"volume_molar": 8.408876332948145,
"formula_full": "Mn2 V2 Bi2 O10",
"formula_reduced": "MnVBiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.8907029051724136,
"spacegroup": 2
},
{
"id": "jvasp-85919",
"created_at": "2022-09-04T14:36:11.469325Z",
"updated_at": "2022-09-04T14:36:11.469352Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.994702 0.084599 -1.465926\n-1.491209 6.126778 -3.152767\n0.007444 0.003866 7.375603\nK C Br N O\n2 2 2 4 8\ndirect\n0.327966 0.278909 0.127384 K\n0.672033 0.721092 0.872615 K\n0.952538 0.243067 0.537866 C\n0.047461 0.756934 0.462133 C\n0.796733 0.203491 0.711265 Br\n0.203266 0.796510 0.288734 Br\n0.822491 0.638321 0.369386 N\n0.177509 0.361680 0.630613 N\n0.834137 0.158854 0.323780 N\n0.165862 0.841147 0.676219 N\n0.272857 0.421516 0.825496 O\n0.714941 0.587825 0.473385 O\n0.727142 0.578485 0.174503 O\n0.371865 0.945611 0.741789 O\n0.628134 0.054390 0.258210 O\n0.285059 0.412176 0.526614 O\n0.924642 0.179002 0.194291 O\n0.075357 0.820999 0.805708 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
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"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-K-N-O",
"density": 2.7233936779105896,
"density_atomic": 0.06618388187390349,
"volume": 271.9695413800963,
"volume_molar": 9.099104781242136,
"formula_full": "K2 C2 Br2 N4 O8",
"formula_reduced": "KCBr(NO2)2",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 3.234845845,
"spacegroup": 2
},
{
"id": "jvasp-63865",
"created_at": "2022-09-04T14:36:11.315697Z",
"updated_at": "2022-09-04T14:36:11.315731Z",
"structure_string": "Au4 Cl8\n1.0\n6.768245 0.157767 -0.024385\n0.626987 6.678119 0.057981\n2.230808 0.196529 6.745722\nAu Cl\n4 8\ndirect\n0.735979 0.516600 0.468807 Au\n0.264023 0.483401 0.531192 Au\n0.638224 0.234168 0.088535 Au\n0.361778 0.765833 0.911463 Au\n0.851675 0.219316 0.299217 Cl\n0.148327 0.780685 0.700782 Cl\n0.343269 0.181252 0.371909 Cl\n0.656733 0.818748 0.628090 Cl\n0.427367 0.258457 0.885335 Cl\n0.572635 0.741543 0.114663 Cl\n0.925312 0.287709 0.817431 Cl\n0.074690 0.712291 0.182568 Cl\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Au-Cl",
"density": 5.8424774801678785,
"density_atomic": 0.03940405908250351,
"volume": 304.53715377074775,
"volume_molar": 15.283046722143398,
"formula_full": "Au4 Cl8",
"formula_reduced": "AuCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1047585683333333,
"spacegroup": 2
},
{
"id": "jvasp-42803",
"created_at": "2022-09-04T14:36:11.527211Z",
"updated_at": "2022-09-04T14:36:11.527225Z",
"structure_string": "V6 O8 F4\n1.0\n5.477536 -0.033506 0.055881\n1.613870 5.267539 0.053577\n2.262866 1.562883 6.670790\nV O F\n6 8 4\ndirect\n0.500000 0.500000 0.000000 V\n0.195989 0.137278 0.857526 V\n0.500001 0.499999 0.500000 V\n0.157889 0.132079 0.336975 V\n0.842112 0.867920 0.663025 V\n0.804013 0.862721 0.142474 V\n0.517330 0.141605 0.169628 O\n0.796314 0.206762 0.498105 O\n0.482671 0.858394 0.830372 O\n0.602807 0.606778 0.197975 O\n0.397195 0.393220 0.802025 O\n0.066514 0.056147 0.136944 O\n0.203688 0.793237 0.501896 O\n0.933488 0.943852 0.863056 O\n0.261517 0.258737 0.539259 F\n0.876248 0.467153 0.826691 F\n0.738485 0.741262 0.460741 F\n0.123754 0.532846 0.173309 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-O-V",
"density": 4.411211258095219,
"density_atomic": 0.09382522652084396,
"volume": 191.8460596095781,
"volume_molar": 6.418466529001278,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6487385738888887,
"spacegroup": 2
},
{
"id": "jvasp-95719",
"created_at": "2022-09-04T14:36:11.914112Z",
"updated_at": "2022-09-04T14:36:11.914135Z",
"structure_string": "Yb4 Be4 F16\n1.0\n7.589809 0.972652 -0.614353\n-1.299205 6.676816 -0.669818\n-0.397810 -0.592786 5.486454\nYb Be F\n4 4 16\ndirect\n0.822146 0.853145 0.774501 Yb\n0.364347 0.946621 0.711714 Yb\n0.177855 0.146854 0.225500 Yb\n0.635653 0.053378 0.288287 Yb\n0.816180 0.533064 0.241370 Be\n0.183821 0.466938 0.758629 Be\n0.805155 0.384264 0.710927 Be\n0.194846 0.615737 0.289071 Be\n0.435434 0.174519 0.509042 F\n0.849608 0.754717 0.354898 F\n0.581604 0.831477 0.948035 F\n0.274066 0.527499 0.047624 F\n0.116368 0.917721 0.866037 F\n0.150395 0.245283 0.645104 F\n0.810100 0.158505 0.674939 F\n0.883633 0.082276 0.133964 F\n-0.018346 0.536349 0.759798 F\n0.018347 0.463650 0.240197 F\n0.418396 0.168521 0.051966 F\n0.564567 0.825479 0.490959 F\n0.273841 0.581682 0.572212 F\n0.189899 0.841496 0.325064 F\n0.725935 0.472507 0.952374 F\n0.726160 0.418317 0.427783 F\n",
"nsites": 24,
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"elements": [
"Yb",
"Be",
"F"
],
"chemical_system": "Be-F-Yb",
"density": 6.119087179381374,
"density_atomic": 0.08568247591457495,
"volume": 280.10395058994203,
"volume_molar": 7.028439241186317,
"formula_full": "Yb4 Be4 F16",
"formula_reduced": "YbBeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 2
}
]
}