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=-energy_above_hull&page=269",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=267",
"results": [
{
"id": "jvasp-20319",
"created_at": "2022-09-04T14:37:41.252215Z",
"updated_at": "2022-09-04T14:37:41.252237Z",
"structure_string": "U6 As8\n1.0\n6.956238 -0.000000 -2.459402\n-3.478119 6.024279 -2.459402\n0.000000 0.000000 7.378205\nU As\n6 8\ndirect\n0.750000 0.875000 0.125000 U\n0.625000 0.375000 0.250000 U\n0.875000 0.125000 0.750000 U\n0.125000 0.750000 0.875000 U\n0.375000 0.250000 0.625000 U\n0.250000 0.625000 0.375000 U\n0.657227 0.657227 0.657227 As\n0.342773 0.500000 0.000000 As\n0.500000 0.000000 0.342773 As\n-0.000000 0.342773 0.500000 As\n0.500000 0.000000 0.842773 As\n-0.000000 0.842773 0.500000 As\n0.157227 0.157227 0.157227 As\n0.842773 0.500000 0.000000 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"As"
],
"chemical_system": "As-U",
"density": 10.88904122555192,
"density_atomic": 0.04527910235405884,
"volume": 309.19340870601496,
"volume_molar": 13.300044494941654,
"formula_full": "U6 As8",
"formula_reduced": "U3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.319479285714285,
"spacegroup": 220
},
{
"id": "jvasp-112521",
"created_at": "2022-09-04T14:38:41.107492Z",
"updated_at": "2022-09-04T14:38:41.107527Z",
"structure_string": "Hf10 Ni2 Sb6\n1.0\n8.560961 -0.000000 0.000000\n-4.280480 7.414010 0.000000\n0.000000 -0.000000 5.733139\nHf Ni Sb\n10 2 6\ndirect\n0.666667 0.333333 0.500000 Hf\n0.000000 0.744986 0.750000 Hf\n0.255014 0.255014 0.750000 Hf\n0.000000 0.255014 0.250000 Hf\n0.255014 0.000000 0.250000 Hf\n0.744986 0.000000 0.750000 Hf\n0.666667 0.333333 -0.000000 Hf\n0.333333 0.666667 -0.000000 Hf\n0.333333 0.666667 0.500000 Hf\n0.744986 0.744986 0.250000 Hf\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.388869 0.000000 0.750000 Sb\n0.388869 0.388869 0.250000 Sb\n0.611131 0.000000 0.250000 Sb\n0.000000 0.611131 0.250000 Sb\n0.611131 0.611131 0.750000 Sb\n0.000000 0.388869 0.750000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Sb"
],
"chemical_system": "Hf-Ni-Sb",
"density": 12.014522889497929,
"density_atomic": 0.04946572145923715,
"volume": 363.88835478389063,
"volume_molar": 12.174371630185604,
"formula_full": "Hf10 Ni2 Sb6",
"formula_reduced": "Hf5NiSb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 4.319337300000001,
"spacegroup": 193
},
{
"id": "jvasp-111619",
"created_at": "2022-09-04T14:38:37.204162Z",
"updated_at": "2022-09-04T14:38:37.204175Z",
"structure_string": "Sb1 Mo6 S8\n1.0\n6.535687 0.009603 -0.022999\n-0.023114 6.535653 -0.022999\n0.009555 0.009603 6.535720\nSb Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sb\n0.775128 0.583352 0.440321 Mo\n0.440322 0.775127 0.583352 Mo\n0.583353 0.440321 0.775128 Mo\n0.224872 0.416647 0.559678 Mo\n0.559679 0.224872 0.416647 Mo\n0.416648 0.559678 0.224872 Mo\n0.762344 0.762343 0.762344 S\n0.237656 0.237656 0.237656 S\n0.256135 0.627210 0.872772 S\n0.872773 0.256135 0.627211 S\n0.627212 0.872772 0.256135 S\n0.743865 0.372788 0.127227 S\n0.127228 0.743864 0.372789 S\n0.372788 0.127227 0.743864 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sb",
"density": 5.673886465378829,
"density_atomic": 0.05372925868402734,
"volume": 279.1774978361875,
"volume_molar": 11.208307926627445,
"formula_full": "Sb1 Mo6 S8",
"formula_reduced": "Sb(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.318884766666667,
"spacegroup": 148
},
{
"id": "jvasp-36699",
"created_at": "2022-09-04T14:38:01.883567Z",
"updated_at": "2022-09-04T14:38:01.883602Z",
"structure_string": "Ca2 Mo2 N6\n1.0\n-1.933344 -2.979699 -1.055015\n-5.440247 2.972348 1.574543\n1.929209 2.956030 -5.377334\nCa Mo N\n2 2 6\ndirect\n0.623365 0.330388 0.246730 Ca\n0.376634 0.669612 0.753269 Ca\n0.849322 0.142865 0.698645 Mo\n0.150677 0.857135 0.301354 Mo\n0.321952 0.014314 0.643905 N\n0.156486 0.583389 0.312973 N\n-0.003220 0.891415 -0.006440 N\n0.003220 0.108586 0.006441 N\n0.678047 0.985686 0.356094 N\n0.843512 0.416611 0.687026 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"N"
],
"chemical_system": "Ca-Mo-N",
"density": 4.192489399245317,
"density_atomic": 0.07090550086129942,
"volume": 141.03278135727902,
"volume_molar": 8.493192611078381,
"formula_full": "Ca2 Mo2 N6",
"formula_reduced": "CaMoN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.318741213999999,
"spacegroup": 12
},
{
"id": "jvasp-97944",
"created_at": "2022-09-04T14:36:16.242396Z",
"updated_at": "2022-09-04T14:36:16.242425Z",
"structure_string": "Y1 H16 C4 N9 O16\n1.0\n3.163144 10.546568 -0.524852\n-3.163144 10.546568 0.524852\n0.414501 0.000000 6.230291\nY H C N O\n1 16 4 9 16\ndirect\n-0.017758 0.017758 0.979792 Y\n0.700718 0.937441 0.015793 H\n0.062559 0.299282 0.015793 H\n0.896147 0.031604 0.509226 H\n0.968396 0.103853 0.509226 H\n0.547285 0.330079 0.750888 H\n0.576408 0.648326 0.280645 H\n0.351674 0.423592 0.280645 H\n0.669921 0.452715 0.750888 H\n0.297426 0.339177 0.179247 H\n0.169614 0.614601 0.969189 H\n0.385399 0.830386 0.969189 H\n0.033323 0.745049 0.735112 H\n0.254951 -0.033322 0.735112 H\n0.713069 0.474594 -0.016927 H\n0.525406 0.286931 -0.016927 H\n0.660824 0.702574 0.179247 H\n0.122414 0.137699 0.309740 C\n0.862301 0.877586 0.309740 C\n0.291778 0.141948 0.465673 C\n0.858052 0.708222 0.465673 C\n0.408346 0.117136 0.627760 N\n0.415847 0.584153 0.388577 N\n0.882865 0.591655 0.627760 N\n0.922350 0.769544 0.500555 N\n0.768007 0.870394 0.171237 N\n0.763364 0.763987 0.270796 N\n0.236013 0.236637 0.270796 N\n0.129606 0.231994 0.171237 N\n0.230457 0.077650 0.500555 N\n0.085966 0.743698 0.869863 O\n0.256302 0.914034 0.869863 O\n0.920075 0.079925 0.608962 O\n0.336707 0.663293 0.193597 O\n0.768907 0.368557 0.884873 O\n0.631443 0.231093 0.884873 O\n0.509517 0.595080 0.484070 O\n0.989391 0.526261 0.803120 O\n0.473739 0.010610 0.803120 O\n0.797774 0.562585 0.584750 O\n0.437416 0.202227 0.584750 O\n0.883452 0.972636 0.266540 O\n0.027364 0.116548 0.266540 O\n0.331334 0.396868 0.143485 O\n0.404920 0.490483 0.484070 O\n0.603132 0.668666 0.143485 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Y",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Y",
"density": 2.1143118839855215,
"density_atomic": 0.10945142396992981,
"volume": 420.2777664421966,
"volume_molar": 5.5021127561158965,
"formula_full": "Y1 H16 C4 N9 O16",
"formula_reduced": "YH16C4N9O16",
"formula_anonymous": "AB4C9D16E16",
"energy_above_hull": 4.318576319565218,
"spacegroup": 8
},
{
"id": "jvasp-40446",
"created_at": "2022-09-04T14:38:08.522788Z",
"updated_at": "2022-09-04T14:38:08.522809Z",
"structure_string": "Tc6 Ni2\n1.0\n2.682905 -4.646928 -0.000000\n2.682905 4.646928 0.000000\n-0.000000 -0.000000 4.323014\nTc Ni\n6 2\ndirect\n0.833588 0.667177 0.749999 Tc\n0.166410 0.833588 0.250000 Tc\n0.667177 0.833588 0.250000 Tc\n0.166410 0.332821 0.250000 Tc\n0.833588 0.166410 0.749999 Tc\n0.332821 0.166410 0.749999 Tc\n0.666666 0.333332 0.250000 Ni\n0.333332 0.666666 0.749999 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Ni"
],
"chemical_system": "Ni-Tc",
"density": 10.866471613531987,
"density_atomic": 0.0742167805168437,
"volume": 107.79233408251086,
"volume_molar": 8.114257608672824,
"formula_full": "Tc6 Ni2",
"formula_reduced": "Tc3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 4.318389225,
"spacegroup": 194
},
{
"id": "jvasp-28620",
"created_at": "2022-09-04T14:38:08.243457Z",
"updated_at": "2022-09-04T14:38:08.243497Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.287062 0.000000 0.000000\n-1.643531 2.846620 0.000034\n0.000000 0.000438 38.727247\nTe Mo W S\n2 1 3 6\ndirect\n0.333307 0.666616 0.331728 Te\n0.333344 0.666691 0.231481 Te\n0.333417 0.666835 0.092764 Mo\n0.333163 0.666325 0.470815 W\n0.666658 0.333318 0.281574 W\n0.666774 0.333548 0.657713 W\n0.333445 0.666891 0.697465 S\n0.666720 0.333438 0.053278 S\n0.666521 0.333042 0.430922 S\n0.666683 0.333366 0.132417 S\n0.666485 0.332971 0.510724 S\n0.333483 0.666965 0.617866 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.017981195942408,
"density_atomic": 0.033115188278279195,
"volume": 362.37148643575733,
"volume_molar": 18.18543415605468,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.317864286111111,
"spacegroup": 156
},
{
"id": "jvasp-68916",
"created_at": "2022-09-04T14:36:00.737782Z",
"updated_at": "2022-09-04T14:36:00.737815Z",
"structure_string": "Be1 Nb1 Re1\n1.0\n1.396914 -2.419525 -0.000000\n1.396914 2.419525 0.000000\n-0.000000 0.000000 6.490172\nBe Nb Re\n1 1 1\ndirect\n0.000000 0.000000 0.015778 Be\n0.666665 0.333332 0.678669 Nb\n0.333332 0.666665 0.305552 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Re"
],
"chemical_system": "Be-Nb-Re",
"density": 10.905482907703345,
"density_atomic": 0.06838097185073007,
"volume": 43.871853803843976,
"volume_molar": 8.806749300296328,
"formula_full": "Be1 Nb1 Re1",
"formula_reduced": "BeNbRe",
"formula_anonymous": "ABC",
"energy_above_hull": 4.3175411666666665,
"spacegroup": 156
},
{
"id": "jvasp-61948",
"created_at": "2022-09-04T14:35:55.599339Z",
"updated_at": "2022-09-04T14:35:55.599357Z",
"structure_string": "Al3 Co20 B6\n1.0\n0.000000 5.227941 5.227941\n5.227941 -0.000000 5.227941\n5.227941 5.227941 -0.000000\nAl Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.659829 Co\n0.659829 0.340171 0.000000 Co\n0.340171 0.000000 0.659829 Co\n0.000000 0.659829 0.000000 Co\n0.000000 0.340171 0.000000 Co\n0.659829 0.000000 0.340171 Co\n0.340171 0.000000 0.000000 Co\n0.000000 0.340171 0.659829 Co\n0.000000 0.659829 0.340171 Co\n0.659829 0.000000 0.000000 Co\n0.617761 0.617761 0.617761 Co\n0.617761 0.617761 0.146715 Co\n0.146715 0.617761 0.617761 Co\n0.617761 0.146715 0.617761 Co\n0.382238 0.382238 0.382238 Co\n0.382238 0.382238 0.853285 Co\n0.382238 0.853285 0.382238 Co\n0.853285 0.382238 0.382238 Co\n0.000000 0.000000 0.340171 Co\n0.340171 0.659829 0.000000 Co\n0.277198 0.277198 0.722802 B\n0.722802 0.722802 0.277198 B\n0.277198 0.722802 0.277198 B\n0.722802 0.277198 0.722802 B\n0.277198 0.722802 0.722802 B\n0.722802 0.277198 0.277198 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Al",
"Co",
"B"
],
"chemical_system": "Al-B-Co",
"density": 7.696099522365397,
"density_atomic": 0.10147895098046415,
"volume": 285.77354929085567,
"volume_molar": 5.934374273497693,
"formula_full": "Al3 Co20 B6",
"formula_reduced": "Al3(Co10B3)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 4.317357306896552,
"spacegroup": 225
},
{
"id": "jvasp-28977",
"created_at": "2022-09-04T14:37:30.628276Z",
"updated_at": "2022-09-04T14:37:30.628308Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.275014 -0.000000 0.000000\n-1.637508 2.836243 0.000001\n0.000000 0.000011 37.230855\nTe Mo W S\n2 1 3 6\ndirect\n0.666637 0.333274 0.417515 Te\n0.666640 0.333283 0.521763 Te\n0.666701 0.333405 0.281753 Mo\n0.333310 0.666622 0.093926 W\n0.333307 0.666615 0.469648 W\n0.666691 0.333384 0.657602 W\n0.333351 0.666703 0.323085 S\n0.333352 0.666707 0.699068 S\n0.666646 0.333295 0.052425 S\n0.666645 0.333291 0.135449 S\n0.333351 0.666703 0.240440 S\n0.333353 0.666710 0.616077 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.258034595907607,
"density_atomic": 0.03469937387529112,
"volume": 345.82756574017066,
"volume_molar": 17.355185663128847,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.317334286111111,
"spacegroup": 156
},
{
"id": "jvasp-15414",
"created_at": "2022-09-04T14:36:48.728249Z",
"updated_at": "2022-09-04T14:36:48.728270Z",
"structure_string": "Mn3 Al1 C1\n1.0\n3.806165 0.000000 -0.000000\n0.000000 3.806165 -0.000000\n-0.000000 0.000000 3.806165\nMn Al C\n3 1 1\ndirect\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"C"
],
"chemical_system": "Al-C-Mn",
"density": 6.137676934022275,
"density_atomic": 0.0906790935827255,
"volume": 55.13950131667954,
"volume_molar": 6.641156767304991,
"formula_full": "Mn3 Al1 C1",
"formula_reduced": "Mn3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.316964904827586,
"spacegroup": 221
},
{
"id": "jvasp-29019",
"created_at": "2022-09-04T14:38:29.062761Z",
"updated_at": "2022-09-04T14:38:29.062789Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.279410 0.000011 -0.000640\n-1.639696 2.840187 0.000514\n-0.006608 0.002374 33.257010\nTe Mo W S\n2 1 3 6\ndirect\n0.333517 0.666671 0.726932 Te\n0.333161 0.667004 0.610187 Te\n0.666820 0.333882 0.277534 Mo\n0.333393 0.666617 0.092316 W\n0.333212 0.666208 0.464467 W\n0.666669 0.333498 0.668645 W\n0.333512 0.666849 0.323811 S\n0.666447 0.333127 0.045872 S\n0.666385 0.332986 0.417981 S\n0.666838 0.333063 0.138784 S\n0.666738 0.332869 0.510947 S\n0.333299 0.667225 0.231269 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.870246956198206,
"density_atomic": 0.03873954995122107,
"volume": 309.76095527980596,
"volume_molar": 15.545200622058807,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.316879286111111,
"spacegroup": 156
}
]
}