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&page=3661",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3659",
"results": [
{
"id": "jvasp-64226",
"created_at": "2022-09-04T14:36:16.790719Z",
"updated_at": "2022-09-04T14:36:16.790750Z",
"structure_string": "Ba4 Ga1 Sn1\n1.0\n-0.000000 4.990606 4.990606\n4.990606 -0.000000 4.990606\n4.990606 4.990606 0.000000\nBa Ga Sn\n4 1 1\ndirect\n0.123171 0.625610 0.625610 Ba\n0.625610 0.625610 0.625610 Ba\n0.625610 0.123171 0.625610 Ba\n0.625610 0.625610 0.123171 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Sn"
],
"chemical_system": "Ba-Ga-Sn",
"density": 4.927914551408868,
"density_atomic": 0.024135783500246342,
"volume": 248.5935457590909,
"volume_molar": 24.951088743145775,
"formula_full": "Ba4 Ga1 Sn1",
"formula_reduced": "Ba4GaSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-49223",
"created_at": "2022-09-04T14:38:35.902225Z",
"updated_at": "2022-09-04T14:38:35.902245Z",
"structure_string": "Na4 Si6 O14\n1.0\n4.874103 -0.000000 -0.000000\n-2.437051 4.401693 -0.965070\n-0.000000 0.033048 11.580026\nNa Si O\n4 6 14\ndirect\n0.852011 0.297334 0.184230 Na\n0.554677 0.702665 0.315770 Na\n0.147989 0.702665 0.815770 Na\n0.445322 0.297335 0.684230 Na\n0.171293 0.914314 0.114705 Si\n0.828707 0.085686 0.885295 Si\n0.743020 0.914314 0.614705 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.256979 0.085686 0.385295 Si\n0.925074 0.719234 0.629151 O\n0.205839 0.280766 0.870850 O\n0.643676 0.000000 0.750000 O\n0.316165 0.729860 0.033444 O\n0.586304 0.270139 0.466556 O\n0.683834 0.270139 0.966556 O\n0.413695 0.729861 0.533444 O\n0.003148 0.752834 0.410466 O\n0.250314 0.247166 0.089534 O\n0.996852 0.247166 0.589535 O\n0.749686 0.752834 0.910466 O\n0.356323 0.000000 0.250000 O\n0.794160 0.719234 0.129151 O\n0.074925 0.280766 0.370849 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 3.2360459089874696,
"density_atomic": 0.09654184565825624,
"volume": 248.59686321884115,
"volume_molar": 6.237855428326368,
"formula_full": "Na4 Si6 O14",
"formula_reduced": "Na2Si3O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.304623191666667,
"spacegroup": 15
},
{
"id": "jvasp-112503",
"created_at": "2022-09-04T14:38:41.381347Z",
"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.068637549693903,
"density_atomic": 0.11262510446865297,
"volume": 248.612422000401,
"volume_molar": 5.347067857039057,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7097604445812804,
"spacegroup": 2
},
{
"id": "jvasp-107602",
"created_at": "2022-09-04T14:37:17.444785Z",
"updated_at": "2022-09-04T14:37:17.444810Z",
"structure_string": "K2 Na1 Al1 Cl6\n1.0\n6.112405 -0.000000 3.528999\n2.037468 5.762831 3.528999\n-0.000000 -0.000000 7.057997\nK Na Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.766639 0.233361 0.233361 Cl\n0.233362 0.233361 0.766639 Cl\n0.233362 0.766639 0.766639 Cl\n0.233362 0.766639 0.233361 Cl\n0.766639 0.233361 0.766639 Cl\n0.766640 0.766639 0.233361 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-K-Na",
"density": 2.276819854999766,
"density_atomic": 0.04022263560844069,
"volume": 248.61622936269018,
"volume_molar": 14.972019284425654,
"formula_full": "K2 Na1 Al1 Cl6",
"formula_reduced": "K2NaAlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-55342",
"created_at": "2022-09-04T14:36:53.601602Z",
"updated_at": "2022-09-04T14:36:53.601625Z",
"structure_string": "Ba2 Mn1 B6 O12\n1.0\n6.120528 -0.029108 3.317884\n1.962292 5.797510 3.317884\n-0.040788 -0.029108 6.961864\nBa Mn B O\n2 1 6 12\ndirect\n0.212207 0.212207 0.212207 Ba\n0.787793 0.787793 0.787792 Ba\n0.000000 0.000000 0.000000 Mn\n0.757097 0.641003 0.365124 B\n0.634875 0.242902 0.358996 B\n0.641003 0.365125 0.757096 B\n0.358997 0.634875 0.242902 B\n0.242903 0.358997 0.634874 B\n0.365125 0.757097 0.641002 B\n0.426289 0.538837 0.802411 O\n0.461162 0.197588 0.573710 O\n0.197588 0.573710 0.461162 O\n0.678540 0.159099 0.914830 O\n0.159099 0.914831 0.678540 O\n0.321459 0.840900 0.085169 O\n0.085169 0.321459 0.840900 O\n0.840900 0.085169 0.321459 O\n0.802412 0.426289 0.538837 O\n0.573710 0.461162 0.197588 O\n0.538838 0.802411 0.426289 O\n0.914831 0.678540 0.159099 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"B",
"O"
],
"chemical_system": "B-Ba-Mn-O",
"density": 3.916899060120509,
"density_atomic": 0.08446581184635997,
"volume": 248.62130062987123,
"volume_molar": 7.129678420606481,
"formula_full": "Ba2 Mn1 B6 O12",
"formula_reduced": "Ba2Mn(BO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.465855556256157,
"spacegroup": 148
},
{
"id": "jvasp-10227",
"created_at": "2022-09-04T14:38:08.398985Z",
"updated_at": "2022-09-04T14:38:08.399014Z",
"structure_string": "Tl2 P2 S6\n1.0\n6.000386 0.000000 3.443127\n2.601487 5.970392 2.416395\n0.002141 0.031957 6.946313\nTl P S\n2 2 6\ndirect\n-0.000000 0.263459 0.736541 Tl\n0.000000 0.736541 0.263458 Tl\n0.663887 0.336114 0.336113 P\n0.336114 0.663886 0.663885 P\n0.534161 0.221142 0.221142 S\n0.976446 0.778858 0.778857 S\n0.500000 0.301331 0.698668 S\n0.500001 0.698669 0.301330 S\n0.465840 0.778858 0.778857 S\n0.023555 0.221142 0.221142 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Tl",
"density": 4.4287433545893675,
"density_atomic": 0.04022070579140075,
"volume": 248.62815813983093,
"volume_molar": 14.972737652176017,
"formula_full": "Tl2 P2 S6",
"formula_reduced": "TlPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.63442162,
"spacegroup": 71
},
{
"id": "jvasp-18469",
"created_at": "2022-09-04T14:36:02.493527Z",
"updated_at": "2022-09-04T14:36:02.493553Z",
"structure_string": "Na6 Bi2\n1.0\n2.722426 -4.715379 0.000000\n2.722426 4.715379 -0.000000\n0.000000 0.000000 9.683933\nNa Bi\n6 2\ndirect\n0.333334 0.666668 0.082626 Na\n0.666668 0.333334 0.582626 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.333334 0.666668 0.417374 Na\n0.666668 0.333334 0.917374 Na\n0.666668 0.333334 0.250000 Bi\n0.333334 0.666668 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Bi"
],
"chemical_system": "Bi-Na",
"density": 3.7127085188616658,
"density_atomic": 0.0321762573278662,
"volume": 248.6305327087129,
"volume_molar": 18.716100815070668,
"formula_full": "Na6 Bi2",
"formula_reduced": "Na3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-64312",
"created_at": "2022-09-04T14:35:43.323520Z",
"updated_at": "2022-09-04T14:35:43.323544Z",
"structure_string": "K1 Ba4 Re1\n1.0\n-0.000000 4.990901 4.990901\n4.990901 -0.000000 4.990901\n4.990901 4.990901 0.000000\nK Ba Re\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.117603 0.627466 0.627466 Ba\n0.627466 0.627466 0.627466 Ba\n0.627466 0.117603 0.627466 Ba\n0.627466 0.627466 0.117603 Ba\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ba",
"Re"
],
"chemical_system": "Ba-K-Re",
"density": 5.173294301958889,
"density_atomic": 0.02413150393111141,
"volume": 248.63763224738483,
"volume_molar": 24.955513660447778,
"formula_full": "K1 Ba4 Re1",
"formula_reduced": "KBa4Re",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.14000998,
"spacegroup": 216
},
{
"id": "jvasp-12751",
"created_at": "2022-09-04T14:38:16.461314Z",
"updated_at": "2022-09-04T14:38:16.461334Z",
"structure_string": "Se4 O4 F8\n1.0\n5.447295 0.000000 0.000000\n0.000000 6.087027 0.000000\n0.000000 0.000000 7.498739\nSe O F\n4 4 8\ndirect\n0.460180 0.751813 0.810852 Se\n0.539819 0.251813 0.189148 Se\n0.039820 0.251813 0.810852 Se\n0.960179 0.751813 0.189148 Se\n0.267354 0.383801 0.906298 O\n0.232645 0.883801 0.906298 O\n0.767354 0.383801 0.093702 O\n0.732645 0.883801 0.093702 O\n0.128472 0.983034 0.275263 F\n0.628471 0.983034 0.724737 F\n0.871527 0.483034 0.724737 F\n0.371528 0.483034 0.275263 F\n0.833491 0.699354 0.402015 F\n0.166508 0.199354 0.597986 F\n0.666508 0.199354 0.402015 F\n0.333491 0.699354 0.597986 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Se",
"O",
"F"
],
"chemical_system": "F-O-Se",
"density": 3.5517577971075136,
"density_atomic": 0.06434956587931233,
"volume": 248.6419260389109,
"volume_molar": 9.358479234023942,
"formula_full": "Se4 O4 F8",
"formula_reduced": "SeOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5240643579166666,
"spacegroup": 29
},
{
"id": "jvasp-119636",
"created_at": "2022-09-04T14:38:51.758653Z",
"updated_at": "2022-09-04T14:38:51.758673Z",
"structure_string": "Rb2 Mn1 Fe1 C6 N6\n1.0\n6.112812 -0.000000 3.529233\n2.037604 5.763214 3.529233\n-0.000000 -0.000000 7.058467\nRb Mn Fe C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.811517 0.188482 0.188482 C\n0.188482 0.811517 0.811518 C\n0.188482 0.811517 0.188483 C\n0.811517 0.188482 0.811517 C\n0.188483 0.188482 0.811518 C\n0.811517 0.811517 0.188482 C\n0.693532 0.306468 0.306468 N\n0.306468 0.693532 0.693532 N\n0.306468 0.693532 0.306468 N\n0.693532 0.306468 0.693532 N\n0.306468 0.306468 0.693532 N\n0.693532 0.693532 0.306468 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Mn",
"Fe",
"C",
"N"
],
"chemical_system": "C-Fe-Mn-N-Rb",
"density": 2.923691469401299,
"density_atomic": 0.064343370773936,
"volume": 248.6658657690534,
"volume_molar": 9.359380286678157,
"formula_full": "Rb2 Mn1 Fe1 C6 N6",
"formula_reduced": "Rb2MnFe(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.673349515086207,
"spacegroup": 225
},
{
"id": "jvasp-37920",
"created_at": "2022-09-04T14:38:06.965166Z",
"updated_at": "2022-09-04T14:38:06.965194Z",
"structure_string": "Pm2 Ho6\n1.0\n3.572529 -6.187802 -0.000000\n3.572529 6.187802 0.000000\n-0.000000 -0.000000 5.625061\nPm Ho\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n0.834357 0.668712 0.750000 Ho\n0.834357 0.165644 0.750000 Ho\n0.331288 0.165643 0.750000 Ho\n0.165643 0.331288 0.250000 Ho\n0.165644 0.834357 0.250000 Ho\n0.668712 0.834357 0.250000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Ho"
],
"chemical_system": "Ho-Pm",
"density": 8.543735385616612,
"density_atomic": 0.03216774249273962,
"volume": 248.6963454711076,
"volume_molar": 18.721054986557483,
"formula_full": "Pm2 Ho6",
"formula_reduced": "PmHo3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.44907196875,
"spacegroup": 194
},
{
"id": "jvasp-3870",
"created_at": "2022-09-04T14:35:42.506971Z",
"updated_at": "2022-09-04T14:35:42.506982Z",
"structure_string": "Rb2 Se1 Cl6\n1.0\n6.113069 0.000000 3.529382\n2.037690 5.763457 3.529382\n0.000000 0.000000 7.058764\nRb Se Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Se\n0.244263 0.755738 0.755736 Cl\n0.244263 0.755738 0.244262 Cl\n0.755737 0.244263 0.755736 Cl\n0.755737 0.244263 0.244262 Cl\n0.755737 0.755738 0.244262 Cl\n0.244263 0.244263 0.755737 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Se",
"Cl"
],
"chemical_system": "Cl-Rb-Se",
"density": 3.088847564696024,
"density_atomic": 0.036188575831946665,
"volume": 248.69726959674804,
"volume_molar": 16.640999601547612,
"formula_full": "Rb2 Se1 Cl6",
"formula_reduced": "Rb2SeCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}