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=-formula_anonymous&page=3508",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3506",
"results": [
{
"id": "jvasp-35480",
"created_at": "2022-09-04T14:37:46.073968Z",
"updated_at": "2022-09-04T14:37:46.073987Z",
"structure_string": "Ho2 Fe2 Si2 C1\n1.0\n-0.000000 -3.909472 0.000000\n4.081796 -1.954735 -3.343786\n4.067951 -1.954735 3.370819\nHo Fe Si C\n2 2 2 1\ndirect\n0.440549 0.825851 0.293054 Ho\n0.559453 0.174150 0.706945 Ho\n0.798976 0.306447 0.095602 Fe\n0.201026 0.693554 0.904398 Fe\n0.838319 0.608793 0.714571 Si\n0.161683 0.391207 0.285428 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ho",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Ho-Si",
"density": 7.912898733358969,
"density_atomic": 0.06543986007610739,
"volume": 106.96844387898922,
"volume_molar": 9.202557513106193,
"formula_full": "Ho2 Fe2 Si2 C1",
"formula_reduced": "Ho2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.4761341904761904,
"spacegroup": 12
},
{
"id": "jvasp-60684",
"created_at": "2022-09-04T14:37:05.456345Z",
"updated_at": "2022-09-04T14:37:05.456370Z",
"structure_string": "Ca2 Cu1 Br2 O2\n1.0\n3.783892 -0.000000 -0.828697\n-0.181490 3.779537 -0.828697\n0.001252 0.001314 9.058831\nCa Cu Br O\n2 1 2 2\ndirect\n0.409467 0.409467 0.818935 Ca\n0.590531 0.590532 0.181063 Ca\n0.000001 0.000001 0.000003 Cu\n0.827706 0.827707 0.655413 Br\n0.172293 0.172293 0.344585 Br\n0.499999 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Ca-Cu-O",
"density": 4.300073736182527,
"density_atomic": 0.054028253591659844,
"volume": 129.5618409750073,
"volume_molar": 11.146280621088996,
"formula_full": "Ca2 Cu1 Br2 O2",
"formula_reduced": "Ca2Cu(BrO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.2473580714285715,
"spacegroup": 139
},
{
"id": "jvasp-8110",
"created_at": "2022-09-04T14:37:05.668051Z",
"updated_at": "2022-09-04T14:37:05.668071Z",
"structure_string": "Tb2 Fe2 Si2 C1\n1.0\n3.690766 0.000000 1.362577\n1.495225 5.213617 1.629751\n-0.000166 -0.011800 5.680260\nTb Fe Si C\n2 2 2 1\ndirect\n0.940634 0.324680 0.794051 Tb\n0.059365 0.675320 0.205949 Tb\n0.699894 0.194044 0.406168 Fe\n0.300105 0.805956 0.593833 Fe\n0.664429 0.890439 0.780699 Si\n0.335569 0.109561 0.219301 Si\n0.499999 0.500000 0.500000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Tb",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Tb",
"density": 7.558250710800215,
"density_atomic": 0.06401519157441381,
"volume": 109.34904399782856,
"volume_molar": 9.407361927519382,
"formula_full": "Tb2 Fe2 Si2 C1",
"formula_reduced": "Tb2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.487275,
"spacegroup": 12
},
{
"id": "jvasp-86900",
"created_at": "2022-09-04T14:35:53.960443Z",
"updated_at": "2022-09-04T14:35:53.960475Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249572 -0.000047 0.000034\n-0.000094 6.165831 -0.230376\n0.000083 0.001405 11.541648\nHg C Se N\n2 4 4 4\ndirect\n0.499999 -0.000001 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214779 0.449010 0.628474 C\n0.785221 0.550988 0.371526 C\n0.644708 0.837264 0.843009 C\n0.855287 0.837292 0.343005 C\n0.355292 0.162735 0.156991 Se\n0.144713 0.162707 0.656995 Se\n0.285218 0.449029 0.128473 Se\n0.714782 0.550970 0.871527 Se\n0.750152 0.364796 0.883174 N\n0.249848 0.635202 0.116825 N\n0.749848 0.364814 0.383180 N\n0.250152 0.635185 0.616819 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Hg-N-Se",
"density": 4.50851002681331,
"density_atomic": 0.046293650305902614,
"volume": 302.41728417374225,
"volume_molar": 13.008567525365685,
"formula_full": "Hg2 C4 Se4 N4",
"formula_reduced": "HgC2(SeN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8878196904761895,
"spacegroup": 1
},
{
"id": "jvasp-85343",
"created_at": "2022-09-04T14:36:02.082106Z",
"updated_at": "2022-09-04T14:36:02.082131Z",
"structure_string": "Eu2 C1 N2 Cl2\n1.0\n3.440113 0.000000 0.000000\n-1.720057 4.915534 -0.917630\n0.000000 -0.328074 7.411655\nEu C N Cl\n2 1 2 2\ndirect\n0.310077 0.620155 0.738565 Eu\n0.689921 0.379845 0.261436 Eu\n0.000000 0.000000 0.500000 C\n0.117288 0.234576 0.472456 N\n0.882711 0.765424 0.527545 N\n0.614702 0.229405 0.862374 Cl\n0.385296 0.770595 0.137626 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Eu",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Eu-N",
"density": 5.542346556863764,
"density_atomic": 0.05631745838485127,
"volume": 124.29538194292726,
"volume_molar": 10.69320408397529,
"formula_full": "Eu2 C1 N2 Cl2",
"formula_reduced": "Eu2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.998107805,
"spacegroup": 12
},
{
"id": "jvasp-16024",
"created_at": "2022-09-04T14:35:53.534659Z",
"updated_at": "2022-09-04T14:35:53.534678Z",
"structure_string": "Ni1 C2 S2 N2\n1.0\n3.645291 0.000000 0.000000\n-1.822645 5.028556 -1.317319\n0.000000 0.191164 5.967394\nNi C S N\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.241690 0.483380 0.785040 C\n0.758309 0.516621 0.214959 C\n0.610446 0.220894 0.269095 S\n0.389552 0.779106 0.730904 S\n0.138208 0.276417 0.833878 N\n0.861790 0.723583 0.166121 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ni",
"C",
"S",
"N"
],
"chemical_system": "C-N-Ni-S",
"density": 2.6323611456662563,
"density_atomic": 0.06346121914262375,
"volume": 110.30358531669695,
"volume_molar": 9.489481672997401,
"formula_full": "Ni1 C2 S2 N2",
"formula_reduced": "NiC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.459761271428572,
"spacegroup": 12
},
{
"id": "jvasp-97465",
"created_at": "2022-09-04T14:35:51.571330Z",
"updated_at": "2022-09-04T14:35:51.571352Z",
"structure_string": "Hg8 C4 N8 Cl8\n1.0\n7.820753 -0.026848 0.000000\n-2.299422 7.976796 0.000000\n0.000000 0.000000 9.036940\nHg C N Cl\n8 4 8 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.769011 0.891842 0.180223 Hg\n0.230989 0.108158 0.819777 Hg\n0.000000 0.500000 0.000000 Hg\n0.269011 0.891842 0.319777 Hg\n0.730989 0.108158 0.680223 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.931383 0.137462 0.408862 C\n0.068617 0.862538 0.591138 C\n0.431383 0.137462 0.091138 C\n0.568617 0.862538 0.908862 C\n0.401960 0.233414 0.993443 N\n0.098040 0.766586 0.493443 N\n0.465063 0.038526 0.176844 N\n0.534937 0.961475 0.823156 N\n0.965063 0.038526 0.323156 N\n0.034937 0.961475 0.676844 N\n0.901959 0.233414 0.506557 N\n0.598040 0.766586 0.006557 N\n0.920217 0.196744 0.981141 Cl\n0.748152 0.511763 0.247826 Cl\n0.079783 0.803256 0.018859 Cl\n0.579783 0.803256 0.481141 Cl\n0.248152 0.511763 0.252174 Cl\n0.420217 0.196744 0.518859 Cl\n0.251848 0.488238 0.752174 Cl\n0.751848 0.488238 0.747826 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hg",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Hg-N",
"density": 6.039541367937392,
"density_atomic": 0.04971524244355202,
"volume": 563.2075521263308,
"volume_molar": 12.113268414285006,
"formula_full": "Hg8 C4 N8 Cl8",
"formula_reduced": "Hg2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.1549691192857137,
"spacegroup": 14
},
{
"id": "jvasp-10291",
"created_at": "2022-09-04T14:38:32.558569Z",
"updated_at": "2022-09-04T14:38:32.558601Z",
"structure_string": "Se2 S4 N4 O4\n1.0\n4.269067 0.000000 -1.178541\n-0.247433 6.930048 -0.896286\n0.012051 -0.101061 8.364910\nSe S N O\n2 4 4 4\ndirect\n0.871209 0.250000 0.000000 Se\n0.128793 0.750000 -0.000000 Se\n0.492369 0.375600 0.682259 S\n0.810110 0.124400 0.317742 S\n0.507632 0.624401 0.317741 S\n0.189891 0.875600 0.682258 S\n0.508267 0.303799 0.849556 N\n0.658710 0.196201 0.150444 N\n0.491735 0.696201 0.150443 N\n0.341291 0.803800 0.849556 N\n0.792531 0.406543 0.642339 O\n0.150192 0.093457 0.357662 O\n0.849809 0.906543 0.642338 O\n0.207470 0.593457 0.357661 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Se",
"S",
"N",
"O"
],
"chemical_system": "N-O-S-Se",
"density": 2.729110934966965,
"density_atomic": 0.05664420741869917,
"volume": 247.1567815666598,
"volume_molar": 10.631520917021419,
"formula_full": "Se2 S4 N4 O4",
"formula_reduced": "SeS2(NO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.293325266666667,
"spacegroup": 15
},
{
"id": "jvasp-103816",
"created_at": "2022-09-04T14:36:53.055839Z",
"updated_at": "2022-09-04T14:36:53.055849Z",
"structure_string": "H4 C4 S2 O4\n1.0\n3.949018 -0.021007 0.006739\n0.050083 4.510294 0.644102\n-0.006415 -0.048289 8.626316\nH C S O\n4 4 2 4\ndirect\n0.976299 0.209538 0.932661 H\n0.357235 0.177591 0.050146 H\n0.857090 0.822408 0.454238 H\n0.476063 0.794981 0.571729 H\n0.071421 0.676882 0.057845 C\n0.571284 0.326354 0.446540 C\n0.080926 0.178721 0.051162 C\n0.580782 0.824456 0.453227 C\n0.302156 0.717322 0.896696 S\n0.801917 0.283486 0.607681 S\n0.461680 0.589266 0.371120 O\n0.962329 0.901132 0.133589 O\n0.962064 0.415098 0.133352 O\n0.462528 0.103262 0.370723 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.945881263456957,
"density_atomic": 0.09104063583237672,
"volume": 153.77748487803498,
"volume_molar": 6.614783283244987,
"formula_full": "H4 C4 S2 O4",
"formula_reduced": "H2C2SO2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8469824285714287,
"spacegroup": 4
},
{
"id": "jvasp-15673",
"created_at": "2022-09-04T14:36:56.798894Z",
"updated_at": "2022-09-04T14:36:56.798916Z",
"structure_string": "Ba2 Pd1 O2 F2\n1.0\n4.038664 -0.000000 -1.141772\n-0.322790 4.025743 -1.141772\n-0.016834 -0.018238 7.654101\nBa Pd O F\n2 1 2 2\ndirect\n0.634881 0.634881 0.269763 Ba\n0.365119 0.365118 0.730237 Ba\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.749999 0.500000 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Pd",
"O",
"F"
],
"chemical_system": "Ba-F-O-Pd",
"density": 6.02701244135257,
"density_atomic": 0.056325812573408546,
"volume": 124.2769465753736,
"volume_molar": 10.691618078569999,
"formula_full": "Ba2 Pd1 O2 F2",
"formula_reduced": "Ba2Pd(OF)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.5418993149999998,
"spacegroup": 139
},
{
"id": "jvasp-107150",
"created_at": "2022-09-04T14:36:57.966995Z",
"updated_at": "2022-09-04T14:36:57.967014Z",
"structure_string": "La2 Cu1 N2 F2\n1.0\n3.854941 -0.006910 -5.937360\n-0.343894 3.839578 -5.937360\n0.006330 0.006910 7.079037\nLa Cu N F\n2 1 2 2\ndirect\n0.376367 0.376367 0.000000 La\n0.623634 0.623634 0.000001 La\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 N\n0.000001 0.500000 0.500001 N\n0.750000 0.250000 0.500000 F\n0.250001 0.750001 0.500001 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"La",
"Cu",
"N",
"F"
],
"chemical_system": "Cu-F-La-N",
"density": 6.437510809218932,
"density_atomic": 0.06661636220592043,
"volume": 105.07928935479886,
"volume_molar": 9.040032449362405,
"formula_full": "La2 Cu1 N2 F2",
"formula_reduced": "La2Cu(NF)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.8611925021428568,
"spacegroup": 139
},
{
"id": "jvasp-101254",
"created_at": "2022-09-04T14:36:45.208840Z",
"updated_at": "2022-09-04T14:36:45.208875Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n3.965005 -0.000702 -1.249453\n2.526565 5.736355 1.098696\n0.015345 -0.066339 6.964860\nBa Mn As O\n2 2 2 1\ndirect\n0.757694 0.191684 0.707074 Ba\n0.242310 0.808318 0.292927 Ba\n0.616613 0.691159 0.924355 Mn\n0.383390 0.308843 0.075646 Mn\n0.951554 0.361030 0.264141 As\n0.048449 0.638972 0.735861 As\n0.500001 -0.000000 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"As",
"O"
],
"chemical_system": "As-Ba-Mn-O",
"density": 5.746658322751521,
"density_atomic": 0.04401568277640424,
"volume": 159.03422504109224,
"volume_molar": 13.681806983642488,
"formula_full": "Ba2 Mn2 As2 O1",
"formula_reduced": "Ba2Mn2As2O",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.289596203251232,
"spacegroup": 12
}
]
}