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=spacegroup&page=694",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=692",
"results": [
{
"id": "jvasp-30112",
"created_at": "2022-09-04T14:37:59.347236Z",
"updated_at": "2022-09-04T14:37:59.347262Z",
"structure_string": "Zr2 Cd4 H24 O12 F16\n1.0\n5.788147 -0.030025 4.141174\n-6.958974 11.742629 0.000000\n-5.788147 0.030025 4.141174\nZr Cd H O F\n2 4 24 12 16\ndirect\n0.515970 0.750000 0.515970 Zr\n0.484029 0.250000 0.484029 Zr\n0.084104 0.786848 0.657843 Cd\n0.657843 0.713153 0.084104 Cd\n0.915895 0.213152 0.342156 Cd\n0.342156 0.286848 0.915895 Cd\n0.964428 0.112195 0.030156 H\n0.030156 0.387805 0.964428 H\n0.309782 0.950880 0.356826 H\n0.356827 0.549120 0.309781 H\n0.180430 0.019403 0.376025 H\n0.643173 0.450880 0.690217 H\n0.969844 0.612195 0.035571 H\n0.376025 0.480597 0.180430 H\n0.623974 0.519404 0.819568 H\n0.690218 0.049120 0.643172 H\n0.035571 0.887805 0.969843 H\n0.819569 0.980597 0.623974 H\n-0.000220 0.098655 0.833833 H\n0.002432 0.641477 0.333716 H\n0.333716 0.858523 0.002432 H\n0.833833 0.401345 -0.000220 H\n0.666283 0.141477 0.997567 H\n0.799465 0.527618 0.338427 H\n0.997567 0.358523 0.666283 H\n0.200534 0.472382 0.661572 H\n0.661572 0.027618 0.200534 H\n0.000220 0.901345 0.166166 H\n0.166167 0.598655 0.000219 H\n0.338428 0.972382 0.799465 H\n0.626574 0.444808 0.829508 O\n0.829508 0.055192 0.626573 O\n0.373426 0.555192 0.170491 O\n0.170492 0.944808 0.373425 O\n0.958054 0.375036 0.076192 O\n0.076192 0.124965 0.958054 O\n0.041945 0.624965 0.923807 O\n0.756826 0.101251 0.119023 O\n0.119023 0.398749 0.756826 O\n0.243173 0.898749 0.880976 O\n0.880976 0.601251 0.243173 O\n0.923807 0.875036 0.041945 O\n0.506428 0.919823 0.353391 F\n0.353392 0.580177 0.506427 F\n0.541970 0.223083 0.811755 F\n0.811755 0.276917 0.541970 F\n0.458029 0.776917 0.188244 F\n0.188245 0.723083 0.458029 F\n0.543306 0.212112 0.248106 F\n0.751893 0.712112 0.456693 F\n0.456694 0.787888 0.751893 F\n0.384846 0.359872 0.183295 F\n0.183295 0.140128 0.384846 F\n0.615153 0.640128 0.816704 F\n0.816704 0.859872 0.615153 F\n0.646608 0.419823 0.493572 F\n0.248106 0.287888 0.543306 F\n0.493572 0.080177 0.646607 F\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Zr",
"Cd",
"H",
"O",
"F"
],
"chemical_system": "Cd-F-H-O-Zr",
"density": 3.4093729731275126,
"density_atomic": 0.10334911559908412,
"volume": 561.2046089005332,
"volume_molar": 5.8269881895857925,
"formula_full": "Zr2 Cd4 H24 O12 F16",
"formula_reduced": "ZrCd2H12(O3F4)2",
"formula_anonymous": "AB2C6D8E12",
"energy_above_hull": 1.9167416296551725,
"spacegroup": 15
},
{
"id": "jvasp-36827",
"created_at": "2022-09-04T14:37:59.356624Z",
"updated_at": "2022-09-04T14:37:59.356652Z",
"structure_string": "Ag2 Br2 O4\n1.0\n2.185980 -2.914365 -0.012323\n3.611680 2.665418 -1.046150\n3.599178 2.637602 8.992816\nAg Br O\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 -0.000000 0.500000 Ag\n0.250000 0.645321 0.709359 Br\n0.749999 0.354679 0.290642 Br\n0.751403 0.899814 0.932545 O\n0.248596 0.100186 0.067456 O\n0.748596 0.167642 0.932545 O\n0.251403 0.832358 0.067456 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 4.44885812788833,
"density_atomic": 0.04876284837703287,
"volume": 164.0593252089017,
"volume_molar": 12.349854367482779,
"formula_full": "Ag2 Br2 O4",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.09198709125,
"spacegroup": 15
},
{
"id": "jvasp-32394",
"created_at": "2022-09-04T14:37:59.940198Z",
"updated_at": "2022-09-04T14:37:59.940224Z",
"structure_string": "Sn2 C4 O8\n1.0\n5.060256 -0.000500 2.063005\n2.366101 5.166445 1.432657\n-0.002149 0.115713 7.244193\nSn C O\n2 4 8\ndirect\n0.865023 0.749960 0.250016 Sn\n0.134978 0.250039 0.749983 Sn\n0.894003 0.136873 0.470108 C\n0.500990 0.363102 0.029949 C\n0.105998 0.863126 0.529891 C\n0.499011 0.636896 0.970050 C\n0.126072 0.673498 0.461236 O\n0.260798 0.826498 0.038663 O\n0.873929 0.326500 0.538763 O\n0.739203 0.173500 0.961336 O\n0.754570 0.155980 0.358988 O\n0.269561 0.343940 0.141110 O\n0.245431 0.844018 0.641011 O\n0.730440 0.656059 0.858890 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sn",
"C",
"O"
],
"chemical_system": "C-O-Sn",
"density": 3.6298007752483747,
"density_atomic": 0.07401680385819032,
"volume": 189.14623801944714,
"volume_molar": 8.136180496982673,
"formula_full": "Sn2 C4 O8",
"formula_reduced": "Sn(CO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.4286336714285714,
"spacegroup": 15
},
{
"id": "jvasp-44859",
"created_at": "2022-09-04T14:38:00.321415Z",
"updated_at": "2022-09-04T14:38:00.321446Z",
"structure_string": "Li8 Cr2 O10\n1.0\n4.322170 2.873436 0.000510\n-4.322170 2.873436 -0.000510\n-1.117570 0.000000 7.674763\nLi Cr O\n8 2 10\ndirect\n0.363194 0.966216 0.648184 Li\n0.033786 0.636807 0.148185 Li\n0.221660 0.437739 0.555103 Li\n0.562262 0.778341 0.055103 Li\n0.437739 0.221660 0.944896 Li\n0.778341 0.562262 0.444896 Li\n0.966216 0.363194 0.851815 Li\n0.636807 0.033786 0.351815 Li\n0.170161 0.170161 0.250000 Cr\n0.829840 0.829841 0.750000 Cr\n0.646882 0.014800 0.841156 O\n0.014800 0.646882 0.658843 O\n0.353120 0.985202 0.158844 O\n0.589232 0.768208 0.569814 O\n0.231794 0.410770 0.069815 O\n0.132376 0.132376 0.750000 O\n0.867626 0.867626 0.250000 O\n0.768208 0.589232 0.930185 O\n0.410770 0.231794 0.430185 O\n0.985202 0.353120 0.341156 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.783129774356492,
"density_atomic": 0.10491176454951844,
"volume": 190.63638940664262,
"volume_molar": 5.740195854924874,
"formula_full": "Li8 Cr2 O10",
"formula_reduced": "Li4CrO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.13556249,
"spacegroup": 15
},
{
"id": "jvasp-12161",
"created_at": "2022-09-04T14:38:00.885367Z",
"updated_at": "2022-09-04T14:38:00.885390Z",
"structure_string": "Hg4 P4 Se12\n1.0\n6.547098 -0.000000 0.986293\n3.273550 5.785958 0.493147\n0.027675 0.000000 13.825192\nHg P Se\n4 4 12\ndirect\n0.768136 0.813732 0.064686 Hg\n0.231864 0.186268 0.935314 Hg\n0.581869 0.186268 0.564686 Hg\n0.418132 0.813732 0.435314 Hg\n0.529971 0.532783 0.915946 P\n0.062753 0.467218 0.415946 P\n0.470030 0.467218 0.084054 P\n0.937248 0.532783 0.584054 P\n0.171750 0.393232 0.112893 Se\n0.564983 0.606768 0.612893 Se\n0.828250 0.606768 0.887107 Se\n0.035828 0.163727 0.375961 Se\n0.964173 0.836274 0.624039 Se\n0.199555 0.836274 0.875961 Se\n0.387758 0.781722 0.159963 Se\n0.830521 0.781722 0.340037 Se\n0.612243 0.218279 0.840036 Se\n0.169480 0.218279 0.659963 Se\n0.435018 0.393232 0.387107 Se\n0.800446 0.163727 0.124039 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"P",
"Se"
],
"chemical_system": "Hg-P-Se",
"density": 5.942952300842857,
"density_atomic": 0.03820020480709226,
"volume": 523.5574024013293,
"volume_molar": 15.764681866003837,
"formula_full": "Hg4 P4 Se12",
"formula_reduced": "HgPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.15588204,
"spacegroup": 15
},
{
"id": "jvasp-38743",
"created_at": "2022-09-04T14:38:05.357518Z",
"updated_at": "2022-09-04T14:38:05.357545Z",
"structure_string": "Li4 Be4 H12\n1.0\n-1.623791 0.000000 4.453790\n-4.398679 -4.046545 0.032716\n4.398682 -4.046546 -0.032716\nLi Be H\n4 4 12\ndirect\n0.250000 0.101002 0.101002 Li\n0.750000 0.281399 0.281398 Li\n0.250000 0.718601 0.718600 Li\n0.750000 0.898997 0.898996 Li\n0.269187 0.626160 0.199781 Be\n0.769187 0.800218 0.373840 Be\n0.230813 0.199783 0.626162 Be\n0.730813 0.373838 0.800217 Be\n0.339032 0.019450 0.790026 H\n0.943178 0.356948 0.652481 H\n0.443178 0.347519 0.643051 H\n0.842849 0.874382 0.607549 H\n0.157152 0.125617 0.392451 H\n0.342848 0.392453 0.125617 H\n0.056821 0.643051 0.347519 H\n0.660968 0.980550 0.209974 H\n0.657152 0.607548 0.874383 H\n0.160968 0.790025 0.019449 H\n0.556822 0.652481 0.356948 H\n0.839032 0.209976 0.980550 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Be",
"H"
],
"chemical_system": "Be-H-Li",
"density": 0.7971671269412308,
"density_atomic": 0.12648606585339148,
"volume": 158.1201839511853,
"volume_molar": 4.761110023755656,
"formula_full": "Li4 Be4 H12",
"formula_reduced": "LiBeH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.11965322,
"spacegroup": 15
},
{
"id": "jvasp-36679",
"created_at": "2022-09-04T14:38:01.115382Z",
"updated_at": "2022-09-04T14:38:01.115418Z",
"structure_string": "Y4 W4 N12\n1.0\n-3.104382 5.141570 -1.724062\n0.067248 -0.024742 -7.252343\n-5.075662 -5.063087 1.097461\nY W N\n4 4 12\ndirect\n0.750000 0.298831 0.298831 Y\n0.749999 0.911902 0.911902 Y\n0.250000 0.701169 0.701169 Y\n0.250000 0.088097 0.088097 Y\n0.236679 0.198593 0.617603 W\n0.763320 0.801406 0.382397 W\n0.263320 0.617602 0.198593 W\n0.736679 0.382397 0.801406 W\n0.952586 0.365565 0.646238 N\n0.047413 0.634434 0.353761 N\n0.547413 0.646238 0.365565 N\n0.350546 0.372303 0.103260 N\n0.649454 0.627696 0.896739 N\n0.452586 0.353761 0.634434 N\n0.850545 0.896739 0.627696 N\n0.848530 0.221727 0.001313 N\n0.151470 0.778273 -0.001314 N\n0.149454 0.103260 0.372303 N\n0.651470 0.001313 0.221727 N\n0.348529 -0.001313 0.778273 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 6.882763472497087,
"density_atomic": 0.06584093747034539,
"volume": 303.7623820135908,
"volume_molar": 9.14649911039368,
"formula_full": "Y4 W4 N12",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36104704,
"spacegroup": 15
},
{
"id": "jvasp-33740",
"created_at": "2022-09-04T14:38:01.174780Z",
"updated_at": "2022-09-04T14:38:01.174800Z",
"structure_string": "Sn2 H20 Cl8 O10\n1.0\n6.197766 4.856061 -0.066146\n-6.197766 4.856061 0.066146\n-2.179236 0.000000 8.304115\nSn H Cl O\n2 20 8 10\ndirect\n0.743245 0.743246 0.750000 Sn\n0.256754 0.256754 0.250000 Sn\n0.869167 0.428659 0.249611 H\n0.571341 0.130833 0.749611 H\n0.614441 0.382848 0.335928 H\n0.531871 0.306162 0.513986 H\n0.398088 0.210041 0.721507 H\n0.617152 0.385559 0.835929 H\n0.908101 0.843184 0.342078 H\n0.843184 0.908101 0.157922 H\n0.693838 0.468129 0.013985 H\n0.789959 0.601912 0.221507 H\n0.156816 0.091899 0.842078 H\n0.091899 0.156817 0.657922 H\n0.382848 0.614441 0.164072 H\n0.601912 0.789959 0.278493 H\n0.468129 0.693838 0.486015 H\n0.385559 0.617152 0.664072 H\n0.210040 0.398088 0.778493 H\n0.428659 0.869167 0.250390 H\n0.130833 0.571341 0.750390 H\n0.306162 0.531871 0.986015 H\n0.978110 0.209387 0.061675 Cl\n0.790612 0.021890 0.561675 Cl\n0.413671 0.132296 0.098123 Cl\n0.867704 0.586329 0.598123 Cl\n0.132296 0.413671 0.401878 Cl\n0.209387 0.978110 0.438325 Cl\n0.021890 0.790613 0.938326 Cl\n0.586329 0.867704 0.901878 Cl\n0.527107 0.242117 0.710134 O\n0.242117 0.527107 0.789867 O\n0.472893 0.757883 0.289867 O\n0.492646 0.654375 0.607268 O\n0.185437 0.185438 0.750000 O\n0.345625 0.507354 0.107268 O\n0.654374 0.492646 0.892733 O\n0.814562 0.814562 0.250000 O\n0.507354 0.345625 0.392733 O\n0.757883 0.472893 0.210133 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sn",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sn",
"density": 2.33595479655768,
"density_atomic": 0.08024821903767342,
"volume": 498.45342961719257,
"volume_molar": 7.504391788648716,
"formula_full": "Sn2 H20 Cl8 O10",
"formula_reduced": "SnH10Cl4O5",
"formula_anonymous": "AB4C5D10",
"energy_above_hull": 2.3890482735,
"spacegroup": 15
},
{
"id": "jvasp-12685",
"created_at": "2022-09-04T14:38:01.328940Z",
"updated_at": "2022-09-04T14:38:01.328968Z",
"structure_string": "Co2 H4 Se2 O10\n1.0\n5.109637 -0.039856 -1.590115\n-1.202008 4.966402 -1.590115\n0.003148 0.003970 7.582163\nCo H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.499999 0.000001 Co\n0.626123 0.034565 0.199466 H\n0.465434 0.873877 0.300535 H\n0.373878 0.965433 0.800535 H\n0.534566 0.126122 0.699466 H\n0.914743 0.585256 0.750001 Se\n0.085257 0.414743 0.250000 Se\n0.191803 0.289421 0.429404 O\n0.814190 0.243119 0.649570 O\n0.743120 0.314188 0.149570 O\n0.185811 0.756880 0.350431 O\n0.381141 0.118859 0.750000 O\n0.618859 0.881140 0.250001 O\n0.789422 0.691802 0.929405 O\n0.808197 0.710578 0.570596 O\n0.210579 0.308197 0.070596 O\n0.256881 0.685811 0.850430 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-O-Se",
"density": 3.8015893062184243,
"density_atomic": 0.0936960715137256,
"volume": 192.11050910883887,
"volume_molar": 6.427314040714944,
"formula_full": "Co2 H4 Se2 O10",
"formula_reduced": "CoH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.785523529629629,
"spacegroup": 15
},
{
"id": "jvasp-21251",
"created_at": "2022-09-04T14:38:01.553592Z",
"updated_at": "2022-09-04T14:38:01.553623Z",
"structure_string": "Ca2 Al8 O14\n1.0\n5.340173 -0.032617 1.282085\n1.206422 7.245787 2.774383\n-0.056926 -0.015375 7.851790\nCa Al O\n2 8 14\ndirect\n0.749999 0.801500 0.198499 Ca\n0.249999 0.198499 0.801501 Ca\n0.693321 0.247981 0.076421 Al\n0.806677 0.923578 0.752018 Al\n0.306677 0.752018 0.923579 Al\n0.193322 0.076421 0.247982 Al\n0.755581 0.560789 0.681244 Al\n0.744417 0.318754 0.439210 Al\n0.244418 0.439210 0.318755 Al\n0.255581 0.681244 0.560789 Al\n0.076321 0.941007 0.828292 O\n0.423678 0.171708 0.058993 O\n0.920353 0.749866 0.636794 O\n0.576321 0.828292 0.941007 O\n0.923678 0.058993 0.171707 O\n0.851608 0.371982 0.864123 O\n0.648390 0.135877 0.628017 O\n0.148391 0.628017 0.135877 O\n0.351608 0.864123 0.371982 O\n0.420353 0.636794 0.749867 O\n0.079645 0.250133 0.363205 O\n0.579645 0.363205 0.250133 O\n0.749999 0.531443 0.468556 O\n0.249999 0.468556 0.531444 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Al",
"O"
],
"chemical_system": "Al-Ca-O",
"density": 2.8323621554812535,
"density_atomic": 0.07872409191237739,
"volume": 304.8622018620783,
"volume_molar": 7.649679550070706,
"formula_full": "Ca2 Al8 O14",
"formula_reduced": "CaAl4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.08104051,
"spacegroup": 15
},
{
"id": "jvasp-30200",
"created_at": "2022-09-04T14:38:02.231557Z",
"updated_at": "2022-09-04T14:38:02.231568Z",
"structure_string": "B4 Sb4 O12\n1.0\n4.746582 -1.284140 -0.138526\n1.246147 4.756571 0.139200\n-0.654473 1.127150 11.548500\nB Sb O\n4 4 12\ndirect\n0.146527 0.364770 0.875631 B\n0.364774 0.146536 0.624377 B\n0.635226 0.853464 0.375622 B\n0.853473 0.635230 0.124368 B\n0.335006 0.998481 0.137248 Sb\n0.001509 0.665005 0.637248 Sb\n0.664994 0.001519 0.862752 Sb\n-0.001508 0.334995 0.362752 Sb\n0.781141 0.418786 0.198998 O\n0.418788 0.781104 0.300994 O\n0.881659 0.331185 0.904134 O\n0.668801 0.118337 0.404124 O\n0.331199 0.881663 0.595876 O\n0.331984 0.156467 0.921900 O\n0.581213 0.218896 0.699006 O\n0.218859 0.581214 0.801002 O\n0.668016 0.843533 0.078100 O\n0.156457 0.331980 0.578105 O\n0.118341 0.668815 0.095866 O\n0.843543 0.668020 0.421895 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Sb",
"O"
],
"chemical_system": "B-O-Sb",
"density": 4.31486005111934,
"density_atomic": 0.07195217843497456,
"volume": 277.9623971784902,
"volume_molar": 8.369643408979474,
"formula_full": "B4 Sb4 O12",
"formula_reduced": "BSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.450643836666667,
"spacegroup": 15
},
{
"id": "jvasp-36820",
"created_at": "2022-09-04T14:38:02.450870Z",
"updated_at": "2022-09-04T14:38:02.450895Z",
"structure_string": "Au2 Br2 O4\n1.0\n-2.179247 2.985111 -0.044083\n3.434401 2.665063 -0.982431\n-3.374354 -2.681929 -8.962433\nAu Br O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Au\n0.500000 -0.000000 0.500000 Au\n0.249999 0.356760 0.713520 Br\n0.750000 0.643239 0.286480 Br\n0.255285 0.894528 0.066935 O\n0.755284 0.827592 0.933064 O\n0.744714 0.105471 0.933064 O\n0.244715 0.172406 0.066935 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Au",
"Br",
"O"
],
"chemical_system": "Au-Br-O",
"density": 6.427868134516859,
"density_atomic": 0.050130612603616675,
"volume": 159.58312864149678,
"volume_molar": 12.012900795003514,
"formula_full": "Au2 Br2 O4",
"formula_reduced": "AuBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28718216875,
"spacegroup": 15
}
]
}