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=-nsites&page=1191",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1189",
"results": [
{
"id": "jvasp-9459",
"created_at": "2022-09-04T14:38:06.315525Z",
"updated_at": "2022-09-04T14:38:06.315553Z",
"structure_string": "Ca2 Ti3 O8\n1.0\n4.845335 -0.011687 -1.535062\n-0.894743 5.317786 -2.864692\n-0.040130 -0.082863 6.366546\nCa Ti O\n2 3 8\ndirect\n0.661873 0.725511 0.451020 Ca\n0.338126 0.274491 0.548981 Ca\n0.500000 1.000000 0.000001 Ti\n0.999998 0.733976 0.000000 Ti\n0.999998 0.266024 -0.000000 Ti\n0.047898 0.395640 0.791280 O\n0.952102 0.604360 0.208722 O\n0.093983 0.899987 0.799974 O\n0.906017 0.100013 0.200027 O\n0.394094 0.324806 0.208577 O\n0.394095 0.883770 0.208578 O\n0.605906 0.116230 0.791424 O\n0.605906 0.675194 0.791424 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.5970223210514556,
"density_atomic": 0.08005723109687873,
"volume": 162.3838324394265,
"volume_molar": 7.5222945853729275,
"formula_full": "Ca2 Ti3 O8",
"formula_reduced": "Ca2Ti3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.566391833846154,
"spacegroup": 12
},
{
"id": "jvasp-29349",
"created_at": "2022-09-04T14:38:06.839712Z",
"updated_at": "2022-09-04T14:38:06.839732Z",
"structure_string": "Sc5 Cl8\n1.0\n3.499806 -0.000028 0.664343\n1.655855 9.137158 0.827171\n0.002157 -0.620689 9.538298\nSc Cl\n5 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.515773 0.318926 0.649526 Sc\n0.484228 0.681074 0.350474 Sc\n0.123358 0.385450 0.367811 Sc\n0.876643 0.614550 0.632189 Sc\n0.698323 0.182156 0.421188 Cl\n0.301677 0.817844 0.578812 Cl\n0.364910 0.162568 0.107616 Cl\n0.635091 0.837432 0.892384 Cl\n0.673217 0.472845 0.180722 Cl\n0.326784 0.527155 0.819278 Cl\n0.966828 0.841516 0.224838 Cl\n0.033173 0.158484 0.775162 Cl\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Sc",
"Cl"
],
"chemical_system": "Cl-Sc",
"density": 2.7578223528561865,
"density_atomic": 0.04246703687013487,
"volume": 306.1197803782328,
"volume_molar": 14.180741591215416,
"formula_full": "Sc5 Cl8",
"formula_reduced": "Sc5Cl8",
"formula_anonymous": "A5B8",
"energy_above_hull": 1.1617752915384618,
"spacegroup": 12
},
{
"id": "jvasp-11693",
"created_at": "2022-09-04T14:38:12.454877Z",
"updated_at": "2022-09-04T14:38:12.454907Z",
"structure_string": "Mn3 Cd2 O8\n1.0\n4.753018 0.004134 -1.455356\n-0.852447 5.081865 -2.769558\n0.008454 0.003174 6.181549\nMn Cd O\n3 2 8\ndirect\n0.500000 0.999998 -0.000001 Mn\n-0.000002 0.741188 0.999998 Mn\n0.000001 0.258813 0.000001 Mn\n0.662698 0.721029 0.442059 Cd\n0.337301 0.278968 0.557939 Cd\n0.046095 0.396617 0.793235 O\n0.953905 0.603380 0.206764 O\n0.097746 0.902799 0.805600 O\n0.902251 0.097199 0.194397 O\n0.389926 0.324499 0.204333 O\n0.389926 0.879831 0.204332 O\n0.610074 0.120164 0.795666 O\n0.610073 0.675500 0.795665 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"O"
],
"chemical_system": "Cd-Mn-O",
"density": 5.751776380711153,
"density_atomic": 0.08699127361687423,
"volume": 149.44027670240146,
"volume_molar": 6.922695242424695,
"formula_full": "Mn3 Cd2 O8",
"formula_reduced": "Mn3Cd2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5352330172413797,
"spacegroup": 12
},
{
"id": "jvasp-44681",
"created_at": "2022-09-04T14:38:07.695894Z",
"updated_at": "2022-09-04T14:38:07.695920Z",
"structure_string": "Li1 Mn3 Cr1 O8\n1.0\n0.044835 4.102747 4.102747\n4.102747 0.044835 4.102747\n4.102747 4.102747 0.044835\nLi Mn Cr O\n1 3 1 8\ndirect\n0.876046 0.876046 0.876046 Li\n0.498956 0.003305 0.498956 Mn\n0.498956 0.498956 0.003305 Mn\n0.003305 0.498956 0.498956 Mn\n0.499197 0.499197 0.499197 Cr\n0.264196 0.264196 0.264196 O\n0.706527 0.260971 0.260971 O\n0.260971 0.706527 0.260971 O\n0.260971 0.260971 0.706527 O\n0.739671 0.289322 0.739671 O\n0.739671 0.739671 0.289322 O\n0.289322 0.739671 0.739671 O\n0.737213 0.737213 0.737213 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.299344889932312,
"density_atomic": 0.09569006192053807,
"volume": 135.8552783756721,
"volume_molar": 6.293381610517551,
"formula_full": "Li1 Mn3 Cr1 O8",
"formula_reduced": "LiMn3CrO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.391879009549071,
"spacegroup": 160
},
{
"id": "jvasp-58484",
"created_at": "2022-09-04T14:38:19.222798Z",
"updated_at": "2022-09-04T14:38:19.222836Z",
"structure_string": "Mg1 Ti4 S8\n1.0\n5.910067 -0.149848 4.254965\n2.097944 5.527203 4.254965\n-0.223154 -0.149848 7.278999\nMg Ti S\n1 4 8\ndirect\n0.500000 0.500000 0.499998 Mg\n0.500001 0.999998 0.500000 Ti\n1.000000 0.499999 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.755026 0.251887 0.755024 S\n0.244975 0.244975 0.748112 S\n0.244974 0.748113 0.244974 S\n0.748112 0.244975 0.244975 S\n0.255930 0.255931 0.255930 S\n0.744070 0.744069 0.744069 S\n0.251889 0.755025 0.755024 S\n0.755026 0.755025 0.251887 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti",
"density": 3.163795035777442,
"density_atomic": 0.05244342973995551,
"volume": 247.8861520777994,
"volume_molar": 11.483117694363651,
"formula_full": "Mg1 Ti4 S8",
"formula_reduced": "Mg(TiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.684302491025641,
"spacegroup": 166
},
{
"id": "jvasp-10739",
"created_at": "2022-09-04T14:38:11.837691Z",
"updated_at": "2022-09-04T14:38:11.837717Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n3.447865 -0.000243 -0.000163\n-1.723441 6.691006 -0.284412\n-1.723477 -1.884552 9.180529\nMg Bi O\n1 4 8\ndirect\n0.497591 0.201995 0.793044 Mg\n0.263186 0.641533 0.884719 Bi\n0.327790 0.207292 0.448161 Bi\n0.678699 0.797458 0.559805 Bi\n0.801214 0.428691 0.173612 Bi\n0.422824 0.526109 0.319421 O\n0.329865 0.885126 0.774469 O\n0.727235 0.165443 0.288887 O\n0.620090 0.497527 0.742518 O\n0.883181 0.731463 0.034797 O\n0.886229 0.133221 0.639109 O\n0.139021 0.340031 0.937876 O\n0.151195 0.874766 0.427478 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.816520222144287,
"density_atomic": 0.061923184209889376,
"volume": 209.93752446476822,
"volume_molar": 9.725179408713677,
"formula_full": "Mg1 Bi4 O8",
"formula_reduced": "Mg(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.976349557692308,
"spacegroup": 8
},
{
"id": "jvasp-44644",
"created_at": "2022-09-04T14:38:11.304863Z",
"updated_at": "2022-09-04T14:38:11.304891Z",
"structure_string": "Mn4 Fe1 O8\n1.0\n-0.062307 2.978851 -4.898384\n1.584495 -2.523254 -4.898384\n-5.067600 1.480748 -2.517642\nMn Fe O\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.499999 0.000000 Mn\n0.500000 0.499999 0.000001 Fe\n0.469060 0.268263 0.799205 O\n0.977177 0.277922 0.777255 O\n0.500669 0.754432 0.777255 O\n0.975930 0.753940 0.778011 O\n0.024069 0.246058 0.221989 O\n0.499331 0.245566 0.222746 O\n0.022822 0.722076 0.222746 O\n0.530940 0.731735 0.200796 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.923394405686763,
"density_atomic": 0.0955027604331255,
"volume": 136.12171984393134,
"volume_molar": 6.305724287641845,
"formula_full": "Mn4 Fe1 O8",
"formula_reduced": "Mn4FeO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.621860189655172,
"spacegroup": 12
},
{
"id": "jvasp-9284",
"created_at": "2022-09-04T14:38:04.359961Z",
"updated_at": "2022-09-04T14:38:04.359988Z",
"structure_string": "Zn1 Bi4 O8\n1.0\n3.503546 -0.026217 -0.190215\n1.635342 6.870591 0.349383\n1.179116 2.562032 8.874157\nZn Bi O\n1 4 8\ndirect\n0.582821 0.808640 0.808876 Zn\n0.426383 0.731516 0.486020 Bi\n-0.010197 0.300094 0.854117 Bi\n0.084154 0.641218 0.120202 Bi\n0.723337 0.188803 0.479508 Bi\n0.168208 0.386697 0.327210 O\n0.509716 0.766729 0.201353 O\n0.546101 0.262377 0.720844 O\n0.903041 0.614872 0.697300 O\n0.855714 -0.061698 0.379160 O\n0.026906 0.878238 0.901994 O\n0.309996 0.970668 0.601444 O\n0.651424 0.521202 0.013183 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zn",
"density": 8.078008923623724,
"density_atomic": 0.06143922445160933,
"volume": 211.59121255248007,
"volume_molar": 9.801785119770107,
"formula_full": "Zn1 Bi4 O8",
"formula_reduced": "Zn(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.9216388923076924,
"spacegroup": 1
},
{
"id": "jvasp-54975",
"created_at": "2022-09-04T14:38:10.692543Z",
"updated_at": "2022-09-04T14:38:10.692559Z",
"structure_string": "Be12 V1\n1.0\n3.838232 0.000000 1.566567\n1.919117 5.107041 0.783284\n-0.010759 0.000000 5.511650\nBe V\n12 1\ndirect\n0.500000 0.787512 0.212487 Be\n0.348691 0.651309 0.651309 Be\n0.000000 0.348690 0.651309 Be\n0.000001 0.651309 0.348690 Be\n0.712488 0.787512 0.787512 Be\n0.500000 -0.000000 0.500000 Be\n0.500000 0.212487 0.787513 Be\n0.651309 0.348690 0.348691 Be\n0.287513 0.212487 0.212487 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.500000 -0.000001 Be\n-0.000000 -0.000000 0.500000 Be\n0.000000 0.000000 0.000000 V\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"V"
],
"chemical_system": "Be-V",
"density": 2.4431919236961126,
"density_atomic": 0.12023067338928058,
"volume": 108.12548606385035,
"volume_molar": 5.008822283230193,
"formula_full": "Be12 V1",
"formula_reduced": "Be12V",
"formula_anonymous": "AB12",
"energy_above_hull": 2.488879030769231,
"spacegroup": 139
},
{
"id": "jvasp-37944",
"created_at": "2022-09-04T14:38:10.617539Z",
"updated_at": "2022-09-04T14:38:10.617560Z",
"structure_string": "Dy1 Al8 Cr4\n1.0\n0.000000 -0.000000 -5.072684\n-4.452142 -4.452142 2.536342\n-4.452142 4.452142 -2.536342\nDy Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.499999 0.223355 0.223355 Al\n0.276645 0.776645 0.223355 Al\n0.000000 0.334387 0.334387 Al\n0.665611 0.665612 0.334387 Al\n0.334386 0.334387 0.665612 Al\n0.000000 0.665612 0.665612 Al\n0.499999 0.776645 0.776645 Al\n0.723355 0.223355 0.776645 Al\n0.000000 0.500000 -0.000000 Cr\n0.500001 0.500000 0.000000 Cr\n0.000001 -0.000000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Dy",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Dy",
"density": 4.84161623345698,
"density_atomic": 0.06464538591415486,
"volume": 201.09710563509063,
"volume_molar": 9.315654435100807,
"formula_full": "Dy1 Al8 Cr4",
"formula_reduced": "Dy(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2039145,
"spacegroup": 139
},
{
"id": "jvasp-42543",
"created_at": "2022-09-04T14:38:17.734649Z",
"updated_at": "2022-09-04T14:38:17.734672Z",
"structure_string": "Li2 Fe3 O3 F5\n1.0\n5.853781 0.000557 0.000506\n-2.926549 -5.085777 0.048397\n-2.926555 1.661896 -4.780917\nLi Fe O F\n2 3 3 5\ndirect\n0.741360 0.626644 0.377119 Li\n0.262404 0.626646 0.377117 Li\n0.225844 0.585070 0.866616 Fe\n0.507799 0.253107 0.762510 Fe\n0.764507 0.149663 0.379351 Fe\n0.754600 0.365209 0.610349 O\n0.755817 0.360863 0.150770 O\n0.220966 0.365220 0.610350 O\n0.230262 0.845319 0.615201 F\n0.723948 0.882045 0.136290 F\n0.278295 0.411629 0.144964 F\n0.739813 0.896556 0.583075 F\n0.294376 0.882025 0.136284 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.797766831278571,
"density_atomic": 0.09164991068317992,
"volume": 141.84410986431905,
"volume_molar": 6.570809196767952,
"formula_full": "Li2 Fe3 O3 F5",
"formula_reduced": "Li2Fe3O3F5",
"formula_anonymous": "A2B3C3D5",
"energy_above_hull": 1.5582706471153838,
"spacegroup": 8
},
{
"id": "jvasp-12233",
"created_at": "2022-09-04T14:38:06.336381Z",
"updated_at": "2022-09-04T14:38:06.336405Z",
"structure_string": "Ba3 V2 O8\n1.0\n5.419628 0.001835 5.791588\n2.288409 4.912796 5.791588\n0.002878 0.001835 7.931888\nBa V O\n3 2 8\ndirect\n0.205246 0.205246 0.205246 Ba\n0.794755 0.794753 0.794754 Ba\n0.000000 0.000000 0.000000 Ba\n0.592478 0.592477 0.592478 V\n0.407523 0.407522 0.407523 V\n0.672317 0.672315 0.672317 O\n0.327684 0.327683 0.327684 O\n0.241262 0.727191 0.727191 O\n0.727192 0.727191 0.241262 O\n0.727192 0.241260 0.727192 O\n0.758739 0.272808 0.272809 O\n0.272809 0.758739 0.272809 O\n0.272810 0.272808 0.758739 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 5.050326439758092,
"density_atomic": 0.06159903874414858,
"volume": 211.0422543117184,
"volume_molar": 9.776355090560655,
"formula_full": "Ba3 V2 O8",
"formula_reduced": "Ba3V2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.339474946923077,
"spacegroup": 166
}
]
}