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{
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"results": [
{
"id": "jvasp-81499",
"created_at": "2022-09-04T14:37:12.106279Z",
"updated_at": "2022-09-04T14:37:12.106303Z",
"structure_string": "Ag1 Br1 O2\n1.0\n-0.177308 3.809130 -2.189502\n-5.155430 -0.033982 -0.020765\n-0.021054 0.008074 4.426689\nAg Br O\n1 1 2\ndirect\n0.553642 0.867275 0.656719 Ag\n0.886338 0.999712 0.320359 Br\n0.298741 0.503343 0.019071 O\n0.976598 0.470819 0.864159 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.192235164603874,
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"volume": 87.05101619465847,
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"formula_full": "Ag1 Br1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-36826",
"created_at": "2022-09-04T14:38:03.416459Z",
"updated_at": "2022-09-04T14:38:03.416486Z",
"structure_string": "Ag2 Br2 O4\n1.0\n0.000000 4.220176 0.157282\n3.707741 0.000000 0.000000\n0.000000 -1.434689 -9.424731\nAg Br O\n2 2 4\ndirect\n0.814868 0.750000 0.144572 Ag\n0.185132 0.250000 0.855428 Ag\n0.678755 0.750000 0.839279 Br\n0.321246 0.250000 0.160721 Br\n0.197549 0.750000 0.476650 O\n0.084005 0.250000 0.592222 O\n0.915996 0.750000 0.407778 O\n0.802452 0.250000 0.523350 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Br-O",
"density": 4.977502290014017,
"density_atomic": 0.054557188044001344,
"volume": 146.63512337820376,
"volume_molar": 11.038216916793871,
"formula_full": "Ag2 Br2 O4",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
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"spacegroup": 11
},
{
"id": "jvasp-30203",
"created_at": "2022-09-04T14:37:05.275627Z",
"updated_at": "2022-09-04T14:37:05.275653Z",
"structure_string": "Ag2 Br2 O8\n1.0\n-2.561275 2.561276 6.260889\n2.561275 -2.561276 6.260889\n2.561276 2.561275 -6.260889\nAg Br O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250001 0.500001 Ag\n0.500000 0.500000 0.000000 Br\n0.249999 0.750000 0.499999 Br\n0.663637 0.292647 0.103119 O\n0.560472 0.689482 0.603118 O\n0.310517 0.913637 0.870989 O\n0.707353 0.810473 0.370990 O\n0.439481 0.336364 0.629010 O\n0.042646 0.439527 0.129009 O\n0.086362 0.957353 0.396880 O\n0.189526 0.560518 0.896880 O\n",
"nsites": 12,
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"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 5.0894885540001775,
"density_atomic": 0.07304200061927153,
"volume": 164.2890377900451,
"volume_molar": 8.24476425747176,
"formula_full": "Ag2 Br2 O8",
"formula_reduced": "AgBrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7590142275000005,
"spacegroup": 88
},
{
"id": "jvasp-29470",
"created_at": "2022-09-04T14:37:57.407503Z",
"updated_at": "2022-09-04T14:37:57.407523Z",
"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n3.993220 0.000000 0.000000\n-0.000000 3.993220 0.000000\n-0.000000 -0.000000 13.423862\nAg Pb Br O\n2 2 2 2\ndirect\n0.250000 0.250000 0.405119 Ag\n0.750000 0.750000 0.594881 Ag\n0.750000 0.750000 0.090772 Pb\n0.250000 0.250000 0.909228 Pb\n0.750000 0.750000 0.380755 Br\n0.250000 0.250000 0.619245 Br\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Pb",
"Br",
"O"
],
"chemical_system": "Ag-Br-O-Pb",
"density": 6.376273692174428,
"density_atomic": 0.03737369464150723,
"volume": 214.05429879857795,
"volume_molar": 16.113313970601695,
"formula_full": "Ag2 Pb2 Br2 O2",
"formula_reduced": "AgPbBrO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.3944864212499999,
"spacegroup": 129
},
{
"id": "jvasp-54582",
"created_at": "2022-09-04T14:38:13.173753Z",
"updated_at": "2022-09-04T14:38:13.173770Z",
"structure_string": "Ag2 Pb4 Br10\n1.0\n6.555162 0.000000 -2.768974\n-0.319687 7.992132 -0.756812\n-0.038190 0.004227 9.053295\nAg Pb Br\n2 4 10\ndirect\n0.500000 0.000000 0.500000 Ag\n-0.000000 0.500000 0.500000 Ag\n0.870867 0.064270 0.207175 Pb\n0.129132 0.935730 0.792825 Pb\n0.336307 0.564270 0.207175 Pb\n0.663692 0.435730 0.792825 Pb\n0.135808 0.819162 0.443137 Br\n0.925602 0.750000 0.000000 Br\n0.864191 0.180838 0.556863 Br\n0.293489 0.576990 0.825981 Br\n0.532492 0.076990 0.825981 Br\n0.706510 0.423011 0.174019 Br\n0.467507 0.923011 0.174019 Br\n0.692671 0.680838 0.556863 Br\n0.307328 0.319162 0.443137 Br\n0.074397 0.250000 0.000000 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"Br"
],
"chemical_system": "Ag-Br-Pb",
"density": 6.4656080180223325,
"density_atomic": 0.03379240619219975,
"volume": 473.47915709220064,
"volume_molar": 17.820988318346153,
"formula_full": "Ag2 Pb4 Br10",
"formula_reduced": "AgPb2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-109886",
"created_at": "2022-09-04T14:38:09.216779Z",
"updated_at": "2022-09-04T14:38:09.216803Z",
"structure_string": "Rb2 Pr1 Ag1 Br6\n1.0\n6.966020 -0.000000 4.021834\n2.322007 6.567627 4.021834\n-0.000000 -0.000000 8.043667\nRb Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753165 0.246836 0.246835 Br\n0.246835 0.246836 0.753165 Br\n0.246836 0.753165 0.753164 Br\n0.246836 0.753165 0.246835 Br\n0.753165 0.246836 0.753164 Br\n0.753165 0.753165 0.246835 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Pr-Rb",
"density": 4.057204875840929,
"density_atomic": 0.027173946776223697,
"volume": 367.9995431782353,
"volume_molar": 22.161450486350308,
"formula_full": "Rb2 Pr1 Ag1 Br6",
"formula_reduced": "Rb2PrAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36896",
"created_at": "2022-09-04T14:38:01.691651Z",
"updated_at": "2022-09-04T14:38:01.691671Z",
"structure_string": "Rb1 Ag1 Br3\n1.0\n5.365890 0.004202 0.000114\n-0.004284 5.366010 0.007578\n-0.000139 -0.007727 5.365965\nRb Ag Br\n1 1 3\ndirect\n-0.000003 0.011788 0.001865 Rb\n0.500011 0.512080 0.502066 Ag\n0.000001 0.512006 0.501910 Br\n0.500040 0.012076 0.502110 Br\n0.499949 0.512048 0.002045 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb",
"density": 4.654177057078486,
"density_atomic": 0.03236143495568056,
"volume": 154.5048916047008,
"volume_molar": 18.60900410704101,
"formula_full": "Rb1 Ag1 Br3",
"formula_reduced": "RbAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-105671",
"created_at": "2022-09-04T14:35:49.567933Z",
"updated_at": "2022-09-04T14:35:49.567955Z",
"structure_string": "Rb2 Ag1 Sb1 Br6\n1.0\n6.824367 -0.000000 3.940050\n2.274789 6.434074 3.940050\n0.000000 -0.000000 7.880100\nRb Ag Sb Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.748883 0.251117 0.251118 Br\n0.251118 0.251117 0.748882 Br\n0.251118 0.748882 0.748882 Br\n0.251118 0.748882 0.251118 Br\n0.748883 0.251117 0.748882 Br\n0.748883 0.748882 0.251118 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Sb",
"Br"
],
"chemical_system": "Ag-Br-Rb-Sb",
"density": 4.22323836359327,
"density_atomic": 0.028901464199139824,
"volume": 346.0032312237531,
"volume_molar": 20.83680161844269,
"formula_full": "Rb2 Ag1 Sb1 Br6",
"formula_reduced": "Rb2AgSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109885",
"created_at": "2022-09-04T14:38:07.114089Z",
"updated_at": "2022-09-04T14:38:07.114118Z",
"structure_string": "Rb2 Sc1 Ag1 Br6\n1.0\n6.675413 -0.000000 3.854051\n2.225138 6.293639 3.854051\n-0.000000 -0.000000 7.708103\nRb Sc Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.757475 0.242525 0.242524 Br\n0.242525 0.242525 0.757475 Br\n0.242525 0.757475 0.757475 Br\n0.242525 0.757475 0.242524 Br\n0.757475 0.242525 0.757475 Br\n0.757475 0.757475 0.242524 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Sc",
"density": 4.118475742093005,
"density_atomic": 0.03087966087153494,
"volume": 323.8377533225457,
"volume_molar": 19.50196533910528,
"formula_full": "Rb2 Sc1 Ag1 Br6",
"formula_reduced": "Rb2ScAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99714",
"created_at": "2022-09-04T14:36:18.415366Z",
"updated_at": "2022-09-04T14:36:18.415392Z",
"structure_string": "Rb2 Ta1 Ag1 Br6\n1.0\n6.642942 -0.000000 3.835304\n2.214314 6.263026 3.835304\n0.000000 0.000000 7.670609\nRb Ta Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.741994 0.258005 0.258005 Br\n0.258005 0.258005 0.741995 Br\n0.258005 0.741995 0.741994 Br\n0.258005 0.741995 0.258005 Br\n0.741994 0.258005 0.741994 Br\n0.741994 0.741995 0.258005 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ta",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Ta",
"density": 4.886764548069728,
"density_atomic": 0.03133469552749029,
"volume": 319.13506200265726,
"volume_molar": 19.218762648313295,
"formula_full": "Rb2 Ta1 Ag1 Br6",
"formula_reduced": "Rb2TaAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3817521090000006,
"spacegroup": 225
},
{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
"nsites": 10,
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"elements": [
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"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Y",
"density": 4.066338518623428,
"density_atomic": 0.028906965206048317,
"volume": 345.93738667204195,
"volume_molar": 20.832836366855844,
"formula_full": "Rb2 Y1 Ag1 Br6",
"formula_reduced": "Rb2YAgBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-119414",
"created_at": "2022-09-04T14:38:32.789407Z",
"updated_at": "2022-09-04T14:38:32.789433Z",
"structure_string": "Ag12 S4 Br4\n1.0\n6.760810 0.119213 0.000000\n-0.004782 6.761859 0.000000\n0.000000 -0.000000 9.897123\nAg S Br\n12 4 4\ndirect\n0.550622 -0.000893 0.750000 Ag\n0.671411 0.328589 0.500000 Ag\n0.671411 0.328589 -0.000000 Ag\n0.328589 0.671411 -0.000000 Ag\n0.793469 0.793468 0.423061 Ag\n0.206532 0.206532 0.576938 Ag\n0.328589 0.671411 0.500000 Ag\n0.206532 0.206532 -0.076938 Ag\n-0.000893 0.550622 0.750000 Ag\n0.449378 0.000893 0.250000 Ag\n0.000893 0.449378 0.250000 Ag\n0.793469 0.793468 0.076938 Ag\n0.500000 -0.000000 -0.000000 S\n0.000000 0.500000 -0.000000 S\n0.500000 -0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.519012 0.519012 0.750000 Br\n-0.021374 -0.021374 0.750000 Br\n0.021374 0.021374 0.250000 Br\n0.480988 0.480988 0.250000 Br\n",
"nsites": 20,
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"elements": [
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"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 6.394276519483495,
"density_atomic": 0.04420290080941518,
"volume": 452.45899327358217,
"volume_molar": 13.623858728107026,
"formula_full": "Ag12 S4 Br4",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1828611769999998,
"spacegroup": 63
}
]
}