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=updated_at&page=3557",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3555",
"results": [
{
"id": "jvasp-51683",
"created_at": "2022-09-04T14:38:12.990889Z",
"updated_at": "2022-09-04T14:38:12.990906Z",
"structure_string": "Rb4 H8 Pt2\n1.0\n5.848212 0.000000 0.000000\n-0.000000 5.848212 0.000000\n0.000000 0.000000 8.337967\nRb H Pt\n4 8 2\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.500000 0.500000 0.299832 H\n0.000000 0.000000 0.799832 H\n0.500000 0.500000 0.700169 H\n0.000000 0.000000 0.200168 H\n0.298130 0.701870 0.500000 H\n0.701870 0.298130 0.500000 H\n0.201870 0.201870 0.000000 H\n0.798130 0.798130 0.000000 H\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"H",
"Pt"
],
"chemical_system": "H-Pt-Rb",
"density": 4.309577654314127,
"density_atomic": 0.04909323473795459,
"volume": 285.17167537906045,
"volume_molar": 12.26674264212663,
"formula_full": "Rb4 H8 Pt2",
"formula_reduced": "Rb2H4Pt",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7394744857142856,
"spacegroup": 136
},
{
"id": "jvasp-51710",
"created_at": "2022-09-04T14:38:12.995368Z",
"updated_at": "2022-09-04T14:38:12.995396Z",
"structure_string": "Mg2 H6 Os1\n1.0\n3.334948 3.334948 -0.000000\n0.000000 3.334948 3.334948\n3.334948 0.000000 3.334948\nMg H Os\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.255236 0.744764 0.744764 H\n0.255236 0.255236 0.744764 H\n0.255236 0.744764 0.255236 H\n0.744764 0.255236 0.255236 H\n0.744764 0.744764 0.255236 H\n0.744764 0.255236 0.744764 H\n0.000000 0.000000 0.000000 Os\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"H",
"Os"
],
"chemical_system": "H-Mg-Os",
"density": 5.481744227391977,
"density_atomic": 0.12132360711701133,
"volume": 74.18177066990674,
"volume_molar": 4.9637007200024215,
"formula_full": "Mg2 H6 Os1",
"formula_reduced": "Mg2H6Os",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.5510292333333338,
"spacegroup": 225
},
{
"id": "jvasp-54707",
"created_at": "2022-09-04T14:38:12.998439Z",
"updated_at": "2022-09-04T14:38:12.998457Z",
"structure_string": "Tm2 H6 O6\n1.0\n3.105226 -5.378409 0.000000\n3.105226 5.378409 -0.000000\n0.000000 -0.000000 3.466322\nTm H O\n2 6 6\ndirect\n0.333334 0.666668 0.750000 Tm\n0.666668 0.333334 0.250000 Tm\n0.274930 0.142184 0.750000 H\n0.857817 0.132746 0.750000 H\n0.867256 0.725072 0.750000 H\n0.725072 0.857817 0.250000 H\n0.142185 0.867255 0.250000 H\n0.132746 0.274930 0.250000 H\n0.395536 0.085022 0.750000 O\n0.914979 0.310515 0.750000 O\n0.689487 0.604465 0.750000 O\n0.604465 0.914979 0.250000 O\n0.085022 0.689487 0.250000 O\n0.310514 0.395537 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"H",
"O"
],
"chemical_system": "H-O-Tm",
"density": 6.309129219959282,
"density_atomic": 0.12091553385020151,
"volume": 115.78330388338824,
"volume_molar": 4.980452526025847,
"formula_full": "Tm2 H6 O6",
"formula_reduced": "Tm(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.3609906785714285,
"spacegroup": 176
},
{
"id": "jvasp-14507",
"created_at": "2022-09-04T14:38:13.009300Z",
"updated_at": "2022-09-04T14:38:13.009329Z",
"structure_string": "Mg2 Sn1\n1.0\n4.147653 -0.000000 2.394649\n1.382551 3.910445 2.394649\n-0.000000 -0.000000 4.789297\nMg Sn\n2 1\ndirect\n0.250000 0.250000 0.250001 Mg\n0.749999 0.749999 0.750002 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.5768158892056263,
"density_atomic": 0.03862076637254,
"volume": 77.67841712569043,
"volume_molar": 15.59301206483008,
"formula_full": "Mg2 Sn1",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1535332619047619,
"spacegroup": 225
},
{
"id": "jvasp-34430",
"created_at": "2022-09-04T14:38:13.009353Z",
"updated_at": "2022-09-04T14:38:13.009381Z",
"structure_string": "Tl1 Cu1 F3\n1.0\n4.115072 0.000000 0.000000\n0.000000 4.115072 0.000000\n0.000000 0.000000 4.114485\nTl Cu F\n1 1 3\ndirect\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.499999 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"F"
],
"chemical_system": "Cu-F-Tl",
"density": 7.7439262735880465,
"density_atomic": 0.0717628444344439,
"volume": 69.67393836468608,
"volume_molar": 8.391725282714075,
"formula_full": "Tl1 Cu1 F3",
"formula_reduced": "TlCuF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-18115",
"created_at": "2022-09-04T14:38:13.010414Z",
"updated_at": "2022-09-04T14:38:13.010438Z",
"structure_string": "Tm4 In2\n1.0\n2.641347 -4.574948 0.000000\n2.641347 4.574948 0.000000\n-0.000000 0.000000 6.581581\nTm In\n4 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.666668 0.333333 0.250000 Tm\n0.333333 0.666668 0.750000 Tm\n0.333333 0.666668 0.250000 In\n0.666668 0.333333 0.750000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"In"
],
"chemical_system": "In-Tm",
"density": 9.45158647043342,
"density_atomic": 0.03772067040354218,
"volume": 159.06398099002416,
"volume_molar": 15.965094722798165,
"formula_full": "Tm4 In2",
"formula_reduced": "Tm2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.590490138888889,
"spacegroup": 194
},
{
"id": "jvasp-64869",
"created_at": "2022-09-04T14:38:13.015509Z",
"updated_at": "2022-09-04T14:38:13.015535Z",
"structure_string": "Ba4 La1 Ta1\n1.0\n0.000000 4.917806 4.917806\n4.917806 -0.000000 4.917806\n4.917806 4.917806 -0.000000\nBa La Ta\n4 1 1\ndirect\n0.122121 0.625960 0.625960 Ba\n0.625960 0.625960 0.625960 Ba\n0.625960 0.122121 0.625960 Ba\n0.625960 0.625960 0.122121 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"Ta"
],
"chemical_system": "Ba-La-Ta",
"density": 6.06743776201691,
"density_atomic": 0.025223600383081204,
"volume": 237.87246502781244,
"volume_molar": 23.87502445542773,
"formula_full": "Ba4 La1 Ta1",
"formula_reduced": "Ba4LaTa",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.592943013333333,
"spacegroup": 216
},
{
"id": "jvasp-19035",
"created_at": "2022-09-04T14:38:13.020574Z",
"updated_at": "2022-09-04T14:38:13.020601Z",
"structure_string": "K4 Au4 Se20\n1.0\n7.882566 -0.000000 3.410835\n2.497020 9.398821 5.043163\n-0.060866 0.030702 10.954533\nK Au Se\n4 4 20\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.250000 0.881076 0.618924 Au\n0.250000 0.618924 0.881076 Au\n0.750000 0.381076 0.118924 Au\n0.750000 0.118924 0.381075 Au\n0.560504 0.778714 0.522598 Se\n0.439496 0.221285 0.477401 Se\n0.638183 0.278714 0.022598 Se\n0.938547 0.352424 0.647576 Se\n0.438547 0.147576 0.852423 Se\n0.561453 0.852424 0.147576 Se\n0.061453 0.647576 0.352424 Se\n0.842573 0.718155 0.053811 Se\n0.114540 0.781844 0.446189 Se\n0.657427 0.446189 0.781844 Se\n0.385460 0.053811 0.718155 Se\n0.157427 0.281844 0.946189 Se\n0.885460 0.218156 0.553811 Se\n0.060504 0.022599 0.278714 Se\n0.614540 0.946189 0.281844 Se\n0.138182 0.522598 0.778714 Se\n0.939496 0.977401 0.721285 Se\n0.361817 0.721285 0.977401 Se\n0.861818 0.477401 0.221285 Se\n0.342573 0.553811 0.218156 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Au",
"Se"
],
"chemical_system": "Au-K-Se",
"density": 5.1567958635691395,
"density_atomic": 0.034458196150104106,
"volume": 812.5788093499899,
"volume_molar": 17.47665703035301,
"formula_full": "K4 Au4 Se20",
"formula_reduced": "KAuSe5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.0312347098412695,
"spacegroup": 72
},
{
"id": "jvasp-64194",
"created_at": "2022-09-04T14:38:13.021285Z",
"updated_at": "2022-09-04T14:38:13.021298Z",
"structure_string": "Ba4 Hg1 Ge1\n1.0\n0.000000 4.959357 4.959357\n4.959357 0.000000 4.959357\n4.959357 4.959357 0.000000\nBa Hg Ge\n4 1 1\ndirect\n0.127811 0.624064 0.624064 Ba\n0.624064 0.624064 0.624064 Ba\n0.624064 0.127811 0.624064 Ba\n0.624064 0.624064 0.127811 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Ge"
],
"chemical_system": "Ba-Ge-Hg",
"density": 5.598851595499986,
"density_atomic": 0.02459490436729007,
"volume": 243.95297133091051,
"volume_molar": 24.485318869583125,
"formula_full": "Ba4 Hg1 Ge1",
"formula_reduced": "Ba4HgGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-89040",
"created_at": "2022-09-04T14:38:13.025919Z",
"updated_at": "2022-09-04T14:38:13.025947Z",
"structure_string": "Na4 V4 O12\n1.0\n5.752507 0.039581 1.436037\n1.581515 6.904497 0.831429\n0.055948 0.048150 7.131556\nNa V O\n4 4 12\ndirect\n0.249033 0.713590 0.286949 Na\n0.749033 0.286949 0.713590 Na\n0.249034 0.086272 0.914267 Na\n0.749034 0.914267 0.086272 Na\n0.264689 0.617099 0.798243 V\n0.233369 0.202301 0.383440 V\n0.733369 0.383440 0.202301 V\n0.764689 0.798242 0.617099 V\n0.452402 0.347939 0.358961 O\n0.952403 0.358960 0.347940 O\n0.545654 0.652604 0.641576 O\n0.334267 0.025554 0.228927 O\n0.834267 0.228927 0.025554 O\n0.163795 0.771614 0.974987 O\n0.663796 0.974987 0.771614 O\n0.327346 0.391309 0.894748 O\n0.827347 0.894748 0.391309 O\n0.045654 0.641576 0.652604 O\n0.670718 0.609231 0.105795 O\n0.170717 0.105795 0.609232 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.8705511616034154,
"density_atomic": 0.07088878210497876,
"volume": 282.1320864333954,
"volume_molar": 8.495195687071968,
"formula_full": "Na4 V4 O12",
"formula_reduced": "NaVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.82614074,
"spacegroup": 15
},
{
"id": "jvasp-14617",
"created_at": "2022-09-04T14:38:13.026469Z",
"updated_at": "2022-09-04T14:38:13.026499Z",
"structure_string": "Fe2\n1.0\n1.229250 -2.129122 0.000000\n1.229250 2.129122 -0.000000\n-0.000000 -0.000000 3.883005\nFe\n2\ndirect\n0.333333 0.666667 0.750001 Fe\n0.666667 0.333333 0.250000 Fe\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 9.124827823835416,
"density_atomic": 0.09839913615344481,
"volume": 20.325381687103185,
"volume_molar": 6.1201154760230825,
"formula_full": "Fe2",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy_above_hull": 0.0036199999999997,
"spacegroup": 194
},
{
"id": "jvasp-37738",
"created_at": "2022-09-04T14:38:13.029577Z",
"updated_at": "2022-09-04T14:38:13.029605Z",
"structure_string": "Li1 Al2 Tc1\n1.0\n0.000000 3.045240 3.045240\n3.045240 -0.000000 3.045240\n3.045240 3.045240 0.000000\nLi Al Tc\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Li\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Tc"
],
"chemical_system": "Al-Li-Tc",
"density": 4.671857259642601,
"density_atomic": 0.07082154853083485,
"volume": 56.47998501837966,
"volume_molar": 8.503260497584337,
"formula_full": "Li1 Al2 Tc1",
"formula_reduced": "LiAl2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.304244275,
"spacegroup": 225
}
]
}