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=-volume_molar&page=614",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=612",
"results": [
{
"id": "jvasp-121292",
"created_at": "2022-09-04T14:38:50.109164Z",
"updated_at": "2022-09-04T14:38:50.109188Z",
"structure_string": "Au1 Br2\n1.0\n6.399399 -0.148431 0.636865\n2.069275 -5.953274 0.982484\n-0.559769 2.954428 -2.758204\nAu Br\n1 2\ndirect\n0.965326 0.064222 0.147837 Au\n0.235092 0.485606 0.817440 Br\n0.695578 0.642776 0.478122 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Au",
"Br"
],
"chemical_system": "Au-Br",
"density": 6.769903791091073,
"density_atomic": 0.03428157479663054,
"volume": 87.5105655967375,
"volume_molar": 17.56669813369222,
"formula_full": "Au1 Br2",
"formula_reduced": "AuBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0396419266666666,
"spacegroup": 2
},
{
"id": "jvasp-5518",
"created_at": "2022-09-04T14:35:40.766734Z",
"updated_at": "2022-09-04T14:35:40.766748Z",
"structure_string": "P12 Se16 I4\n1.0\n0.000000 11.302487 0.048383\n6.515072 0.000000 0.000000\n0.000000 -6.566263 -12.703941\nP Se I\n12 16 4\ndirect\n0.828168 0.148520 0.868790 P\n0.709737 0.274739 0.548619 P\n0.290264 0.774739 0.951381 P\n0.709737 0.225261 0.048619 P\n0.670379 0.606872 0.508970 P\n0.329622 0.106873 0.991030 P\n0.290264 0.725261 0.451381 P\n0.670379 0.893127 0.008970 P\n0.828168 0.351480 0.368790 P\n0.171833 0.851480 0.131210 P\n0.171833 0.648519 0.631210 P\n0.329621 0.393127 0.491030 P\n0.463171 0.827645 0.609564 Se\n0.638503 0.174197 0.272631 Se\n0.361497 0.674196 0.227369 Se\n0.361498 0.825803 0.727369 Se\n0.638503 0.325803 0.772631 Se\n0.536829 0.172354 0.390436 Se\n0.463171 0.672354 0.109564 Se\n0.536830 0.327646 0.890436 Se\n0.897420 0.207989 0.532999 Se\n0.253608 0.165759 0.111399 Se\n0.253608 0.334241 0.611399 Se\n0.746393 0.834241 0.888602 Se\n0.102581 0.707989 0.967001 Se\n0.102581 0.792010 0.467001 Se\n0.897419 0.292010 0.032999 Se\n0.746392 0.665758 0.388602 Se\n0.142714 0.236403 0.815055 I\n0.857287 0.763597 0.184945 I\n0.142714 0.263597 0.315055 I\n0.857287 0.736402 0.684945 I\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"Se",
"I"
],
"chemical_system": "I-P-Se",
"density": 3.8118275414414233,
"density_atomic": 0.03428311294229959,
"volume": 933.404153055115,
"volume_molar": 17.565909986457772,
"formula_full": "P12 Se16 I4",
"formula_reduced": "P3Se4I",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.0594082802083333,
"spacegroup": 14
},
{
"id": "jvasp-107033",
"created_at": "2022-09-04T14:36:57.572886Z",
"updated_at": "2022-09-04T14:36:57.572900Z",
"structure_string": "Sr2 Ga1 Si1\n1.0\n6.301915 0.015464 0.000000\n-4.557166 4.352771 0.000000\n-0.000000 -0.000000 4.242425\nSr Ga Si\n2 1 1\ndirect\n0.360460 0.639538 0.500001 Sr\n0.641525 0.358474 -0.000000 Sr\n0.064119 0.935880 0.500001 Ga\n0.933894 0.066105 -0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Si"
],
"chemical_system": "Ga-Si-Sr",
"density": 3.886172285900144,
"density_atomic": 0.03428413125344285,
"volume": 116.67205362242672,
"volume_molar": 17.56538824181304,
"formula_full": "Sr2 Ga1 Si1",
"formula_reduced": "Sr2GaSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2539383862499998,
"spacegroup": 38
},
{
"id": "jvasp-12912",
"created_at": "2022-09-04T14:36:50.652813Z",
"updated_at": "2022-09-04T14:36:50.652831Z",
"structure_string": "Ga4 Te2 Se4\n1.0\n6.416224 -0.000000 -3.598209\n-2.017871 6.090659 -3.598209\n-0.016503 -0.022853 7.490290\nGa Te Se\n4 2 4\ndirect\n0.426152 0.652230 0.852304 Ga\n0.450073 0.176152 0.352303 Ga\n0.902229 0.176152 0.352303 Ga\n0.426152 0.200074 0.852304 Ga\n0.023998 0.023998 0.047995 Te\n0.273998 0.773998 0.547995 Te\n0.652350 0.901537 0.304700 Se\n0.653163 0.402350 0.804700 Se\n0.151538 0.402350 0.804700 Se\n0.652350 0.403163 0.304700 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ga",
"Te",
"Se"
],
"chemical_system": "Ga-Se-Te",
"density": 4.839040589356276,
"density_atomic": 0.03428672362321632,
"volume": 291.65808054137824,
"volume_molar": 17.564060148115967,
"formula_full": "Ga4 Te2 Se4",
"formula_reduced": "Ga2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.50135983,
"spacegroup": 109
},
{
"id": "jvasp-1726",
"created_at": "2022-09-04T14:36:11.545031Z",
"updated_at": "2022-09-04T14:36:11.545055Z",
"structure_string": "Rb1 Lu1 Se2\n1.0\n4.004338 0.004602 7.216414\n1.871570 3.540052 7.216414\n0.007628 0.004602 8.252957\nRb Lu Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499999 0.500000 Lu\n0.231289 0.231288 0.231288 Se\n0.768713 0.768710 0.768711 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Lu",
"Se"
],
"chemical_system": "Lu-Rb-Se",
"density": 5.955180986980028,
"density_atomic": 0.034289496061489365,
"volume": 116.65379954336547,
"volume_molar": 17.562640025974265,
"formula_full": "Rb1 Lu1 Se2",
"formula_reduced": "RbLuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3411881208333333,
"spacegroup": 166
},
{
"id": "jvasp-28875",
"created_at": "2022-09-04T14:37:48.447121Z",
"updated_at": "2022-09-04T14:37:48.447154Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.345403 -0.000004 0.000006\n-1.672705 2.897225 0.000036\n0.000066 0.000564 36.106839\nTe W Se S\n2 4 4 2\ndirect\n0.333372 0.666772 0.332985 Te\n0.333422 0.666838 0.227155 Te\n0.333441 0.666897 0.093171 W\n0.333221 0.666454 0.473578 W\n0.666720 0.333453 0.280081 W\n0.666617 0.333188 0.656099 W\n0.333262 0.666486 0.702412 Se\n0.666568 0.333139 0.427195 Se\n0.666527 0.333088 0.519937 Se\n0.333304 0.666540 0.609735 Se\n0.666789 0.333578 0.051019 S\n0.666762 0.333559 0.135385 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.503060706989118,
"density_atomic": 0.034289520371109515,
"volume": 349.9611505243027,
"volume_molar": 17.56262757490749,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.877439083333333,
"spacegroup": 156
},
{
"id": "jvasp-40115",
"created_at": "2022-09-04T14:37:40.727820Z",
"updated_at": "2022-09-04T14:37:40.727844Z",
"structure_string": "Ac2 Zn1 Si1\n1.0\n-0.000000 3.878122 3.878122\n3.878122 0.000000 3.878122\n3.878122 3.878122 0.000000\nAc Zn Si\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Zn",
"Si"
],
"chemical_system": "Ac-Si-Zn",
"density": 7.793534474752304,
"density_atomic": 0.03428985068605463,
"volume": 116.65259311341252,
"volume_molar": 17.562458393699423,
"formula_full": "Ac2 Zn1 Si1",
"formula_reduced": "Ac2ZnSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6680672499999999,
"spacegroup": 225
},
{
"id": "jvasp-123658",
"created_at": "2022-09-04T14:38:54.371101Z",
"updated_at": "2022-09-04T14:38:54.371134Z",
"structure_string": "Dy1 Se2\n1.0\n2.151325 -3.629677 -0.599005\n2.067732 3.581414 -0.000000\n-0.725981 0.419145 5.888370\nDy Se\n1 2\ndirect\n0.000000 0.333351 0.166667 Dy\n0.773438 0.720042 0.428512 Se\n0.226565 -0.053394 0.904823 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"Se"
],
"chemical_system": "Dy-Se",
"density": 6.081811430981121,
"density_atomic": 0.03429142175189034,
"volume": 87.48543649505064,
"volume_molar": 17.5616537674412,
"formula_full": "Dy1 Se2",
"formula_reduced": "DySe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7669077444444443,
"spacegroup": 12
},
{
"id": "jvasp-35854",
"created_at": "2022-09-04T14:37:33.185670Z",
"updated_at": "2022-09-04T14:37:33.185687Z",
"structure_string": "Dy2 Te4\n1.0\n4.446141 0.000000 0.000000\n0.000000 4.446141 -0.000000\n0.000000 -0.000000 8.850983\nDy Te\n2 4\ndirect\n0.500000 0.000000 0.728923 Dy\n0.000000 0.500000 0.271077 Dy\n0.500000 0.000000 0.371272 Te\n0.000000 0.500000 0.628727 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Te"
],
"chemical_system": "Dy-Te",
"density": 7.928400845268334,
"density_atomic": 0.034292036802783483,
"volume": 174.96773476905227,
"volume_molar": 17.56133878729298,
"formula_full": "Dy2 Te4",
"formula_reduced": "DyTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5606340111111112,
"spacegroup": 129
},
{
"id": "jvasp-101563",
"created_at": "2022-09-04T14:37:06.872968Z",
"updated_at": "2022-09-04T14:37:06.872985Z",
"structure_string": "Ga2 Pb6\n1.0\n6.864493 -0.000000 0.000000\n-3.432247 5.944825 0.000000\n0.000000 0.000000 5.716740\nGa Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666666 0.333334 0.250000 Ga\n0.168440 0.336879 0.250000 Pb\n0.663120 0.831561 0.250000 Pb\n0.168439 0.831561 0.250000 Pb\n0.831560 0.663121 0.750000 Pb\n0.336879 0.168440 0.750000 Pb\n0.831560 0.168440 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Pb"
],
"chemical_system": "Ga-Pb",
"density": 9.84156391120637,
"density_atomic": 0.0342920939660925,
"volume": 233.28992414141516,
"volume_molar": 17.561309513366556,
"formula_full": "Ga2 Pb6",
"formula_reduced": "GaPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.17132888,
"spacegroup": 194
},
{
"id": "jvasp-116979",
"created_at": "2022-09-04T14:38:45.753248Z",
"updated_at": "2022-09-04T14:38:45.753271Z",
"structure_string": "Na6 Dy2 Br12\n1.0\n7.690819 0.000000 0.000000\n-0.000000 5.899496 3.937981\n0.000000 -0.165637 12.743732\nNa Dy Br\n6 2 12\ndirect\n0.500000 0.500000 -0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.096943 0.705092 0.755990 Na\n0.903057 0.294908 0.244010 Na\n0.596943 0.294907 0.744010 Na\n0.403057 0.705093 0.255990 Na\n0.500000 -0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.678080 0.394114 0.428497 Br\n0.321920 0.605886 0.571503 Br\n0.057311 0.908208 0.241910 Br\n0.942689 0.091792 0.758090 Br\n0.557311 0.091792 0.258090 Br\n0.187910 0.241615 0.423060 Br\n0.687910 0.758385 0.076940 Br\n0.312090 0.241615 0.923060 Br\n0.821920 0.394114 0.928497 Br\n0.812090 0.758385 0.576940 Br\n0.442689 0.908208 0.741910 Br\n0.178080 0.605886 0.071503 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Na",
"density": 4.048067086405287,
"density_atomic": 0.03429210760578292,
"volume": 583.224578375791,
"volume_molar": 17.561302528353327,
"formula_full": "Na6 Dy2 Br12",
"formula_reduced": "Na3DyBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-100249",
"created_at": "2022-09-04T14:36:38.391786Z",
"updated_at": "2022-09-04T14:36:38.391797Z",
"structure_string": "Tl6 As2\n1.0\n7.336121 -0.000000 0.000000\n-3.668060 6.353268 -0.000000\n0.000000 -0.000000 5.005020\nTl As\n6 2\ndirect\n0.175545 0.351090 0.250000 Tl\n0.648910 0.824456 0.250000 Tl\n0.175545 0.824456 0.250000 Tl\n0.824455 0.648910 0.750000 Tl\n0.351090 0.175545 0.750000 Tl\n0.824455 0.175545 0.750000 Tl\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"As"
],
"chemical_system": "As-Tl",
"density": 9.79587385984886,
"density_atomic": 0.03429418673588473,
"volume": 233.275687847963,
"volume_molar": 17.560237851328186,
"formula_full": "Tl6 As2",
"formula_reduced": "Tl3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1069898875,
"spacegroup": 194
}
]
}