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=created_at&page=4554",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4552",
"results": [
{
"id": "jvasp-123716",
"created_at": "2022-09-04T14:38:53.056918Z",
"updated_at": "2022-09-04T14:38:53.056942Z",
"structure_string": "Th1 Se2\n1.0\n2.167546 -3.754440 -0.006592\n2.167669 3.754511 0.000000\n0.008927 -0.005154 6.169523\nTh Se\n1 2\ndirect\n0.000000 0.333319 0.166667 Th\n0.666674 0.666679 0.414097 Se\n0.333327 0.000005 0.919236 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Se"
],
"chemical_system": "Se-Th",
"density": 6.448433443889253,
"density_atomic": 0.029875038788027074,
"volume": 100.41827966436986,
"volume_molar": 20.157767167196027,
"formula_full": "Th1 Se2",
"formula_reduced": "ThSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-120191",
"created_at": "2022-09-04T14:38:53.057385Z",
"updated_at": "2022-09-04T14:38:53.057410Z",
"structure_string": "Sr1 Zn1 F2\n1.0\n3.586813 0.000000 -0.000000\n-0.000000 3.586813 0.000000\n0.000000 0.000000 5.306368\nSr Zn F\n1 1 2\ndirect\n0.499999 0.499999 0.541444 Sr\n0.000000 0.000000 0.965116 Zn\n0.000000 0.000000 0.396348 F\n0.499999 0.499999 0.102120 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"F"
],
"chemical_system": "F-Sr-Zn",
"density": 4.646503874148882,
"density_atomic": 0.05859292188634853,
"volume": 68.26763150263639,
"volume_molar": 10.277932156517165,
"formula_full": "Sr1 Zn1 F2",
"formula_reduced": "SrZnF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-119113",
"created_at": "2022-09-04T14:38:53.061845Z",
"updated_at": "2022-09-04T14:38:53.061868Z",
"structure_string": "Ba2 Yb1 Cu3 O7\n1.0\n3.817182 -0.000000 0.000000\n0.000000 3.865328 0.000000\n-0.000000 -0.000000 11.734717\nYb Ba Cu O\n1 2 3 7\ndirect\n0.500000 0.500000 0.500000 Yb\n0.500000 0.500000 0.190539 Ba\n0.500000 0.500000 0.809462 Ba\n0.000000 0.000000 0.364636 Cu\n0.000000 0.000000 0.635364 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.375897 O\n0.500000 0.000000 0.624104 O\n-0.000000 0.500000 0.375557 O\n-0.000000 0.500000 0.624443 O\n0.000000 0.000000 0.157867 O\n0.000000 0.000000 0.842133 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Yb",
"density": 7.196118306201825,
"density_atomic": 0.0750829818576588,
"volume": 173.14176499603076,
"volume_molar": 8.020646771084138,
"formula_full": "Ba2 Yb1 Cu3 O7",
"formula_reduced": "Ba2YbCu3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.2086198838461537,
"spacegroup": 47
},
{
"id": "jvasp-121960",
"created_at": "2022-09-04T14:38:53.063142Z",
"updated_at": "2022-09-04T14:38:53.063161Z",
"structure_string": "Ce3 Si4 Pd4\n1.0\n4.185951 0.020951 -12.072306\n-0.106105 4.049491 -12.118315\n-0.005057 -0.020951 12.777430\nCe Si Pd\n3 4 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.645796 0.145796 0.499999 Ce\n0.354203 0.854204 0.499999 Ce\n0.804466 0.304467 0.499999 Si\n0.195532 0.695533 0.499999 Si\n0.547762 0.547763 -0.000001 Si\n0.452236 0.452237 -0.000001 Si\n0.902978 0.402979 0.499999 Pd\n0.097020 0.597021 0.499999 Pd\n0.750128 0.750129 -0.000001 Pd\n0.249871 0.249871 -0.000000 Pd\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Pd"
],
"chemical_system": "Ce-Pd-Si",
"density": 7.392190909152567,
"density_atomic": 0.051095605679020106,
"volume": 215.28270100371094,
"volume_molar": 11.786024805794005,
"formula_full": "Ce3 Si4 Pd4",
"formula_reduced": "Ce3(SiPd)4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 2.7502667,
"spacegroup": 71
},
{
"id": "jvasp-118371",
"created_at": "2022-09-04T14:38:53.065157Z",
"updated_at": "2022-09-04T14:38:53.065187Z",
"structure_string": "Ca1 Al1 S2\n1.0\n3.740423 0.000000 0.000000\n-1.870211 3.239301 0.000000\n0.000000 -0.000000 6.353247\nCa Al S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.786333 S\n0.666667 0.333334 0.213668 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"S"
],
"chemical_system": "Al-Ca-S",
"density": 2.829961570959392,
"density_atomic": 0.051962762011262036,
"volume": 76.9782021812672,
"volume_molar": 11.589339224683256,
"formula_full": "Ca1 Al1 S2",
"formula_reduced": "CaAlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9125458050000002,
"spacegroup": 164
},
{
"id": "jvasp-119904",
"created_at": "2022-09-04T14:38:53.071719Z",
"updated_at": "2022-09-04T14:38:53.071754Z",
"structure_string": "Ba1 B1 N1\n1.0\n6.249637 -0.000000 -0.000000\n0.000000 6.249637 -0.000000\n0.000000 0.000000 6.751449\nBa B N\n1 1 1\ndirect\n0.000000 0.000000 0.669359 Ba\n0.000000 0.000000 0.217545 B\n0.000000 0.000000 0.026092 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"N"
],
"chemical_system": "B-Ba-N",
"density": 1.0210459288628158,
"density_atomic": 0.01137665734648449,
"volume": 263.6978427522942,
"volume_molar": 52.93418423875538,
"formula_full": "Ba1 B1 N1",
"formula_reduced": "BaBN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9100906011111105,
"spacegroup": 99
},
{
"id": "jvasp-111998",
"created_at": "2022-09-04T14:38:53.073020Z",
"updated_at": "2022-09-04T14:38:53.073058Z",
"structure_string": "Zr10 Cu2 Bi6\n1.0\n8.815986 0.000000 0.000000\n-4.407993 7.634868 -0.000000\n-0.000000 0.000000 5.943061\nZr Cu Bi\n10 2 6\ndirect\n0.740080 0.000000 0.250000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.740081 0.740080 0.750000 Zr\n0.666667 0.333333 0.000000 Zr\n0.259920 0.000000 0.750000 Zr\n0.259920 0.259920 0.250000 Zr\n0.000000 0.740080 0.250000 Zr\n0.000000 0.259920 0.750000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.614591 0.750000 Bi\n0.385409 0.000000 0.250000 Bi\n0.000000 0.385409 0.250000 Bi\n0.614591 0.614591 0.250000 Bi\n0.614591 0.000000 0.750000 Bi\n0.385409 0.385409 0.750000 Bi\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Zr",
"density": 9.519434391701997,
"density_atomic": 0.0449976561232155,
"volume": 400.0208355455501,
"volume_molar": 13.383232103267302,
"formula_full": "Zr10 Cu2 Bi6",
"formula_reduced": "Zr5CuBi3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.089751761111111,
"spacegroup": 193
},
{
"id": "jvasp-119138",
"created_at": "2022-09-04T14:38:53.073856Z",
"updated_at": "2022-09-04T14:38:53.073882Z",
"structure_string": "Tb2 Ti2 Fe22 H1\n1.0\n4.692073 -0.000000 -0.000000\n-2.346036 5.929125 -0.007380\n-0.000000 -0.001591 11.856947\nTb Ti Fe H\n2 2 22 1\ndirect\n0.002868 0.005736 0.002763 Tb\n0.502652 0.005306 0.502779 Tb\n0.312908 0.625818 0.313914 Ti\n0.814405 0.628813 0.813427 Ti\n0.175925 0.351852 0.176155 Fe\n0.322756 0.645513 0.679275 Fe\n0.821079 0.642160 0.178888 Fe\n0.179874 0.359750 0.822079 Fe\n0.678230 0.356462 0.321717 Fe\n0.500236 0.501178 0.001180 Fe\n-0.000210 0.500763 0.501432 Fe\n0.000941 0.501178 0.001180 Fe\n0.500973 0.500763 0.501432 Fe\n0.252082 0.003789 0.749564 Fe\n0.751707 0.003789 0.749564 Fe\n0.676720 0.353441 0.676576 Fe\n0.250015 0.001423 0.251407 Fe\n0.116967 0.233934 0.616179 Fe\n0.614560 0.229121 0.115324 Fe\n0.387126 0.774254 0.886222 Fe\n0.885301 0.770603 0.386174 Fe\n0.610278 0.220557 0.888786 Fe\n0.108701 0.217404 0.391178 Fe\n0.890840 0.781683 0.608738 Fe\n0.389109 0.778219 0.110290 Fe\n0.751407 0.001423 0.251407 Fe\n0.502539 0.005078 0.002367 H\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Tb",
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Tb-Ti",
"density": 8.271928325665284,
"density_atomic": 0.081853186586554,
"volume": 329.8588744794853,
"volume_molar": 7.357246566854194,
"formula_full": "Tb2 Ti2 Fe22 H1",
"formula_reduced": "Tb2Ti2Fe22H",
"formula_anonymous": "AB2C2D22",
"energy_above_hull": 4.203098683950617,
"spacegroup": 8
},
{
"id": "jvasp-120497",
"created_at": "2022-09-04T14:38:53.079719Z",
"updated_at": "2022-09-04T14:38:53.079743Z",
"structure_string": "Ta3 Si12 Mo3\n1.0\n13.151320 -0.000000 0.000000\n-0.000000 4.111854 2.345614\n0.000000 -0.001960 4.753121\nTa Si Mo\n3 12 3\ndirect\n0.249262 -0.000000 0.500000 Ta\n0.583844 0.500000 0.500000 Ta\n0.083428 0.500000 0.500000 Ta\n0.081948 0.164316 0.156181 Si\n0.583457 0.161796 0.164730 Si\n0.251142 0.678917 0.158018 Si\n0.750972 0.676804 0.158882 Si\n0.416616 0.162159 0.679597 Si\n0.915832 0.157990 0.675145 Si\n0.081948 0.835683 0.843819 Si\n0.583457 0.838203 0.835270 Si\n0.251142 0.321082 0.841982 Si\n0.750972 0.323195 0.841118 Si\n0.416616 0.837840 0.320402 Si\n0.915832 0.842009 0.324855 Si\n0.916286 0.500000 -0.000000 Mo\n0.416416 0.500000 -0.000000 Mo\n0.750826 -0.000000 0.500000 Mo\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ta",
"density": 7.542033818899117,
"density_atomic": 0.0700139300042228,
"volume": 257.0916958798678,
"volume_molar": 8.60134656008709,
"formula_full": "Ta3 Si12 Mo3",
"formula_reduced": "TaSi4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.612506583333334,
"spacegroup": 3
},
{
"id": "jvasp-117510",
"created_at": "2022-09-04T14:38:53.081799Z",
"updated_at": "2022-09-04T14:38:53.081823Z",
"structure_string": "B3 Se1\n1.0\n3.206971 0.213475 -0.313636\n2.594817 -5.320563 -0.118506\n1.308966 -0.245294 -2.871864\nB Se\n3 1\ndirect\n0.049604 0.031462 0.120991 B\n0.744010 0.445681 0.566698 B\n-0.044225 0.133680 0.616773 B\n0.307427 0.620445 0.197936 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 3.81527239794303,
"density_atomic": 0.08250467238011622,
"volume": 48.48210270530094,
"volume_molar": 7.299151170802475,
"formula_full": "B3 Se1",
"formula_reduced": "B3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 3.7929402791666655,
"spacegroup": 8
},
{
"id": "jvasp-123719",
"created_at": "2022-09-04T14:38:53.082728Z",
"updated_at": "2022-09-04T14:38:53.082755Z",
"structure_string": "Tm1 Se2\n1.0\n2.128640 -3.579265 -0.579508\n2.035416 3.525441 -0.000000\n-0.705956 0.407584 5.861674\nTm Se\n1 2\ndirect\n0.000000 0.333359 0.166667 Tm\n0.770890 0.718766 0.426842 Se\n0.229110 -0.052125 0.906490 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Se"
],
"chemical_system": "Se-Tm",
"density": 6.402722236338935,
"density_atomic": 0.0353901770771806,
"volume": 84.76928480627424,
"volume_molar": 17.016418840930427,
"formula_full": "Tm1 Se2",
"formula_reduced": "TmSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-111633",
"created_at": "2022-09-04T14:38:53.086734Z",
"updated_at": "2022-09-04T14:38:53.086757Z",
"structure_string": "K2 Fe4 O7\n1.0\n5.018790 -0.000000 0.000000\n-2.509395 4.346399 -0.000000\n0.000000 0.000000 6.648795\nK Fe O\n2 4 7\ndirect\n0.333334 0.666667 0.000000 K\n0.666667 0.333333 0.000000 K\n0.000000 0.000000 0.271038 Fe\n0.000000 0.000000 0.728963 Fe\n0.333334 0.666667 0.500000 Fe\n0.666667 0.333333 0.500000 Fe\n0.000001 0.647725 0.341531 O\n0.000000 0.352275 0.658470 O\n0.000000 0.000000 0.000000 O\n0.352276 0.352275 0.341531 O\n0.647725 0.647725 0.658470 O\n0.352275 0.000000 0.658470 O\n0.647725 0.000000 0.341531 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Fe",
"O"
],
"chemical_system": "Fe-K-O",
"density": 4.735099253942893,
"density_atomic": 0.08963379688434296,
"volume": 145.03457905252267,
"volume_molar": 6.718605000935685,
"formula_full": "K2 Fe4 O7",
"formula_reduced": "K2Fe4O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.607585576923077,
"spacegroup": 162
}
]
}