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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1548",
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"results": [
{
"id": "jvasp-52952",
"created_at": "2022-09-04T14:36:41.481165Z",
"updated_at": "2022-09-04T14:36:41.481198Z",
"structure_string": "Pb2 W2 O8\n1.0\n5.508428 0.017581 0.006524\n-0.017461 5.508437 -0.022295\n-2.753191 -2.738911 6.052653\nPb W O\n2 2 8\ndirect\n0.624481 0.873221 0.248208 Pb\n0.374464 0.123234 0.748203 Pb\n0.124501 0.373206 0.248211 W\n0.874474 0.623231 0.748210 W\n0.274441 0.434101 0.082490 O\n0.063636 0.688882 0.413974 O\n0.647873 0.773158 0.582441 O\n0.724491 0.562369 0.913919 O\n0.351102 0.223230 0.413939 O\n0.190165 0.849872 0.913990 O\n0.808783 0.146622 0.082452 O\n0.935377 0.307541 0.582482 O\n",
"nsites": 12,
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],
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"density_atomic": 0.06542346219614215,
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"formula_full": "Pb2 W2 O8",
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{
"id": "jvasp-55532",
"created_at": "2022-09-04T14:37:13.384968Z",
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"structure_string": "Pb4 S4 O12\n1.0\n5.528873 0.000000 0.000000\n-0.000000 6.832260 0.000000\n0.000000 0.000000 7.908667\nPb S O\n4 4 12\ndirect\n0.250000 0.366259 0.685754 Pb\n0.750000 0.633741 0.314247 Pb\n0.750000 0.866259 0.814247 Pb\n0.250000 0.133741 0.185753 Pb\n0.750000 0.351977 0.966391 S\n0.250000 0.648023 0.033609 S\n0.250000 0.851977 0.533610 S\n0.750000 0.148023 0.466391 S\n0.250000 0.984375 0.689519 O\n0.750000 0.015625 0.310482 O\n0.529991 0.284879 0.438785 O\n0.029992 0.715121 0.561215 O\n0.470008 0.784879 0.061215 O\n0.529991 0.215121 0.938786 O\n0.470008 0.715121 0.561215 O\n0.970008 0.284879 0.438785 O\n0.250000 0.515625 0.189519 O\n0.029992 0.784879 0.061215 O\n0.970008 0.215121 0.938786 O\n0.750000 0.484375 0.810482 O\n",
"nsites": 20,
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"elements": [
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"S",
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],
"chemical_system": "O-Pb-S",
"density": 6.386821727271044,
"density_atomic": 0.06694616550944278,
"volume": 298.7475062657471,
"volume_molar": 8.995497672156556,
"formula_full": "Pb4 S4 O12",
"formula_reduced": "PbSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.715916264,
"spacegroup": 62
},
{
"id": "jvasp-12365",
"created_at": "2022-09-04T14:38:34.045201Z",
"updated_at": "2022-09-04T14:38:34.045218Z",
"structure_string": "Pb2 S2 O6\n1.0\n0.000000 4.518077 -0.029107\n5.359993 0.000000 0.000000\n0.000000 -1.795207 -6.119262\nPb S O\n2 2 6\ndirect\n0.647764 0.250000 0.279718 Pb\n0.352236 0.750000 0.720282 Pb\n0.084645 0.750000 0.172312 S\n0.915355 0.250000 0.827689 S\n0.804343 0.023815 0.674996 O\n0.195657 0.523815 0.325004 O\n0.195657 0.976184 0.325004 O\n0.804343 0.476184 0.674996 O\n0.267493 0.250000 0.867398 O\n0.732507 0.750000 0.132602 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 6.4257252353167145,
"density_atomic": 0.0673539490361698,
"volume": 148.46939404592138,
"volume_molar": 8.941035894964445,
"formula_full": "Pb2 S2 O6",
"formula_reduced": "PbSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.715932264,
"spacegroup": 11
},
{
"id": "jvasp-101280",
"created_at": "2022-09-04T14:38:17.040334Z",
"updated_at": "2022-09-04T14:38:17.040344Z",
"structure_string": "Pb4 Se4 O16\n1.0\n7.020790 0.002585 0.000000\n-1.639631 7.006080 0.000000\n0.000000 0.000000 7.463274\nPb Se O\n4 4 16\ndirect\n0.402604 0.218287 0.148311 Pb\n0.597396 0.781714 0.851689 Pb\n0.902604 0.718287 0.351689 Pb\n0.097396 0.281714 0.648311 Pb\n0.880571 0.196195 0.163859 Se\n0.619430 0.303806 0.663859 Se\n0.119430 0.803806 0.836141 Se\n0.380571 0.696194 0.336141 Se\n0.484223 0.617587 0.156803 O\n0.015777 0.882414 0.656803 O\n0.515777 0.382414 0.843196 O\n0.984223 0.117587 0.343197 O\n0.285290 0.884279 0.293141 O\n0.449720 0.262167 0.503155 O\n0.050280 0.237833 0.003155 O\n0.680667 0.026018 0.109621 O\n0.819333 0.473983 0.609621 O\n0.319333 0.973983 0.890379 O\n0.180667 0.526018 0.390379 O\n0.785290 0.384279 0.206859 O\n0.714710 0.115722 0.706858 O\n0.214710 0.615722 0.793141 O\n0.949720 0.762168 0.996844 O\n0.550280 0.737833 0.496845 O\n",
"nsites": 24,
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"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 6.334972935758361,
"density_atomic": 0.06537073376635746,
"volume": 367.1367692732158,
"volume_molar": 9.21228876139562,
"formula_full": "Pb4 Se4 O16",
"formula_reduced": "PbSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.918409697777778,
"spacegroup": 14
},
{
"id": "jvasp-57803",
"created_at": "2022-09-04T14:38:04.095563Z",
"updated_at": "2022-09-04T14:38:04.095591Z",
"structure_string": "Pb2 Se4 O12\n1.0\n0.000000 4.865816 -0.161544\n8.849172 0.000000 0.000000\n0.000000 -2.246455 -6.682873\nPb Se O\n2 4 12\ndirect\n0.500001 0.500000 0.499999 Pb\n0.500000 0.000000 -0.000000 Pb\n0.113455 0.655361 0.818510 Se\n0.886546 0.344639 0.181488 Se\n0.113455 0.844638 0.318511 Se\n0.886547 0.155361 0.681488 Se\n0.854526 0.662797 0.587255 O\n0.769977 0.163121 0.210608 O\n0.769978 0.336879 0.710608 O\n0.382069 0.546281 0.773824 O\n0.617933 0.046281 0.726175 O\n0.230024 0.836878 0.789391 O\n0.230024 0.663121 0.289391 O\n0.145476 0.337203 0.412744 O\n0.145476 0.162797 0.912744 O\n0.382069 0.953719 0.273824 O\n0.617932 0.453719 0.226175 O\n0.854525 0.837203 0.087255 O\n",
"nsites": 18,
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"elements": [
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"O"
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"density": 5.26317964125966,
"density_atomic": 0.06186300853798904,
"volume": 290.9654804283646,
"volume_molar": 9.734639330225757,
"formula_full": "Pb2 Se4 O12",
"formula_reduced": "Pb(SeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2078509503703705,
"spacegroup": 14
},
{
"id": "jvasp-29883",
"created_at": "2022-09-04T14:37:29.958547Z",
"updated_at": "2022-09-04T14:37:29.958557Z",
"structure_string": "Pb8 Se8 O24\n1.0\n8.104069 0.000000 0.000000\n0.000000 8.611040 -2.002493\n0.000000 -0.006240 9.222547\nPb Se O\n8 8 24\ndirect\n0.174912 0.728672 0.604315 Pb\n0.166256 0.173030 0.007371 Pb\n0.666256 0.326970 0.992629 Pb\n0.833744 0.826970 0.992629 Pb\n0.674912 0.771328 0.395686 Pb\n0.325088 0.228672 0.604314 Pb\n0.333744 0.673030 0.007372 Pb\n0.825088 0.271328 0.395686 Pb\n0.603595 0.551108 0.678174 Se\n0.505004 0.053645 0.203419 Se\n0.896405 0.051108 0.678174 Se\n0.396405 0.448892 0.321827 Se\n0.005004 0.446355 0.796582 Se\n0.494996 0.946355 0.796582 Se\n0.103595 0.948892 0.321827 Se\n0.994996 0.553645 0.203419 Se\n0.842707 0.859788 0.659668 O\n0.550295 0.104274 0.389442 O\n0.680564 0.124222 0.131458 O\n0.180564 0.375778 0.868543 O\n0.319436 0.875778 0.868543 O\n0.881657 0.123842 0.870539 O\n0.449098 0.144787 0.842238 O\n0.390833 0.533786 0.659750 O\n0.550902 0.855213 0.157763 O\n0.342707 0.640212 0.340333 O\n0.949098 0.355213 0.157762 O\n0.109167 0.033786 0.659750 O\n0.118343 0.876158 0.129462 O\n0.949705 0.604274 0.389442 O\n0.618343 0.623842 0.870539 O\n0.890833 0.966214 0.340251 O\n0.050902 0.644787 0.842238 O\n0.050295 0.395726 0.610559 O\n0.157293 0.140212 0.340332 O\n0.449705 0.895726 0.610559 O\n0.819436 0.624222 0.131458 O\n0.657293 0.359788 0.659668 O\n0.609167 0.466214 0.340251 O\n0.381657 0.376158 0.129461 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 6.898424767089761,
"density_atomic": 0.062161103609070845,
"volume": 643.4892187815502,
"volume_molar": 9.687956632612329,
"formula_full": "Pb8 Se8 O24",
"formula_reduced": "PbSeO3",
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"spacegroup": 14
},
{
"id": "jvasp-12334",
"created_at": "2022-09-04T14:37:06.600314Z",
"updated_at": "2022-09-04T14:37:06.600341Z",
"structure_string": "Pb2 Se2 O6\n1.0\n0.000000 4.535888 -0.011069\n5.575099 0.000000 0.000000\n0.000000 -1.918057 -6.357515\nPb Se O\n2 2 6\ndirect\n0.641107 0.250000 0.304018 Pb\n0.358893 0.750000 0.695982 Pb\n0.083726 0.750000 0.157751 Se\n0.916274 0.250000 0.842249 Se\n0.803220 0.012489 0.666827 O\n0.196779 0.512489 0.333173 O\n0.196779 0.987511 0.333173 O\n0.803220 0.487511 0.666827 O\n0.307660 0.250000 0.884299 O\n0.692339 0.750000 0.115700 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "O-Pb-Se",
"density": 6.897779199953634,
"density_atomic": 0.06215528645994039,
"volume": 160.88736082722562,
"volume_molar": 9.688863334064628,
"formula_full": "Pb2 Se2 O6",
"formula_reduced": "PbSeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 11
},
{
"id": "jvasp-116390",
"created_at": "2022-09-04T14:38:42.705928Z",
"updated_at": "2022-09-04T14:38:42.705960Z",
"structure_string": "Pb1 Se1 O2\n1.0\n3.609225 -0.000000 -0.000000\n-0.000000 3.609225 0.000000\n-0.000000 0.000000 5.158557\nPb Se O\n1 1 2\ndirect\n0.499999 0.499999 0.519263 Pb\n0.000000 0.000000 0.033821 Se\n0.000000 0.000000 0.393595 O\n0.499999 0.499999 0.063322 O\n",
"nsites": 4,
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"density": 7.862069703529863,
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"volume": 67.1979690723648,
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"formula_full": "Pb1 Se1 O2",
"formula_reduced": "PbSeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5006952966666665,
"spacegroup": 99
},
{
"id": "jvasp-116389",
"created_at": "2022-09-04T14:38:42.578251Z",
"updated_at": "2022-09-04T14:38:42.578276Z",
"structure_string": "Pb1 Se1 O1\n1.0\n4.772374 -0.956011 0.000000\n-3.474368 5.330667 0.000000\n0.000000 0.000000 3.129054\nPb Se O\n1 1 1\ndirect\n-0.107903 0.238257 0.000000 Pb\n0.839901 0.687925 0.000000 Se\n0.268001 0.073818 0.000000 O\n",
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"volume": 69.20967602716453,
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"formula_full": "Pb1 Se1 O1",
"formula_reduced": "PbSeO",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-116391",
"created_at": "2022-09-04T14:38:41.511303Z",
"updated_at": "2022-09-04T14:38:41.511340Z",
"structure_string": "Pb1 Se1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nPb Se O\n1 1 1\ndirect\n0.000000 0.000000 0.265124 Pb\n0.000000 0.000000 0.746168 Se\n0.000000 0.000000 0.014547 O\n",
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"volume": 151.74117818059824,
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"formula_full": "Pb1 Se1 O1",
"formula_reduced": "PbSeO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-116392",
"created_at": "2022-09-04T14:38:41.469916Z",
"updated_at": "2022-09-04T14:38:41.469942Z",
"structure_string": "Pb1 Se1 O1\n1.0\n4.794225 0.000000 -0.000000\n-2.397112 4.151920 0.000000\n0.000000 -0.000000 3.176736\nPb Se O\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Pb\n0.666666 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"density_atomic": 0.04744306529015154,
"volume": 63.233688246167226,
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"formula_full": "Pb1 Se1 O1",
"formula_reduced": "PbSeO",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-117856",
"created_at": "2022-09-04T14:38:48.437440Z",
"updated_at": "2022-09-04T14:38:48.437467Z",
"structure_string": "Pb1 Se1 Br2\n1.0\n4.630063 0.000000 -0.000000\n0.000000 4.630063 0.000000\n0.000000 -0.000000 5.748728\nPb Se Br\n1 1 2\ndirect\n0.500000 0.500000 0.752351 Pb\n0.000000 0.000000 0.752650 Se\n0.000000 0.000000 0.252753 Br\n0.500000 0.500000 0.252246 Br\n",
"nsites": 4,
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"elements": [
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"Se",
"Br"
],
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"density": 6.009069590651848,
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"volume": 123.23826097895733,
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"formula_full": "Pb1 Se1 Br2",
"formula_reduced": "PbSeBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2984230991666666,
"spacegroup": 123
}
]
}