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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=1561",
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"results": [
{
"id": "jvasp-14038",
"created_at": "2022-09-04T14:37:50.548780Z",
"updated_at": "2022-09-04T14:37:50.548790Z",
"structure_string": "Hg8 I4 O4\n1.0\n6.595530 -0.001466 -1.259718\n-0.498380 6.580160 -2.617035\n0.031764 0.028071 9.692941\nHg I O\n8 4 4\ndirect\n0.222877 0.088600 0.852996 Hg\n0.277122 0.235605 0.147004 Hg\n0.777122 0.911399 0.147004 Hg\n0.722877 0.764394 0.852996 Hg\n0.228145 0.147594 0.495088 Hg\n0.271855 0.652506 0.504912 Hg\n0.771855 0.852405 0.504912 Hg\n0.728145 0.347493 0.495088 Hg\n0.314369 0.780819 0.222390 I\n0.185630 0.558429 0.777610 I\n0.685630 0.219181 0.777610 I\n0.814369 0.441570 0.222390 I\n0.162589 0.947926 0.606620 O\n0.337411 0.341307 0.393381 O\n0.837411 0.052073 0.393380 O\n0.662589 0.658692 0.606619 O\n",
"nsites": 16,
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"elements": [
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"I",
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],
"chemical_system": "Hg-I-O",
"density": 8.575330568367203,
"density_atomic": 0.03796609354663238,
"volume": 421.4286618755701,
"volume_molar": 15.861892013207056,
"formula_full": "Hg8 I4 O4",
"formula_reduced": "Hg2IO",
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"spacegroup": 15
},
{
"id": "jvasp-59143",
"created_at": "2022-09-04T14:38:11.928139Z",
"updated_at": "2022-09-04T14:38:11.928169Z",
"structure_string": "Hg8 O2 F12\n1.0\n3.930702 -6.808176 -0.000000\n3.930702 6.808176 0.000000\n-0.000000 0.000000 6.113729\nHg O F\n8 2 12\ndirect\n0.666667 0.333333 0.475669 Hg\n0.333333 0.666667 0.975669 Hg\n0.364050 0.182024 0.001069 Hg\n0.182024 0.364050 0.501069 Hg\n0.182024 0.817975 0.501069 Hg\n0.817975 0.182024 0.001069 Hg\n0.817975 0.635950 0.001069 Hg\n0.635950 0.817975 0.501069 Hg\n0.666667 0.333333 0.126222 O\n0.333333 0.666667 0.626222 O\n0.923406 0.461702 0.725340 F\n0.076593 0.538297 0.225340 F\n0.461702 0.538297 0.225340 F\n0.538297 0.076593 0.725340 F\n0.746369 0.873184 0.896594 F\n0.253631 0.126816 0.396594 F\n0.873184 0.126815 0.396594 F\n0.126815 0.873184 0.896594 F\n0.126816 0.253631 0.896594 F\n0.538297 0.461702 0.725340 F\n0.873184 0.746369 0.396594 F\n0.461702 0.923406 0.225340 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O",
"density": 9.462827217120678,
"density_atomic": 0.06723348250704356,
"volume": 327.2179155333092,
"volume_molar": 8.957056120615357,
"formula_full": "Hg8 O2 F12",
"formula_reduced": "Hg4OF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-29248",
"created_at": "2022-09-04T14:38:12.759651Z",
"updated_at": "2022-09-04T14:38:12.759674Z",
"structure_string": "Hg8 P12 Br4\n1.0\n7.977403 0.000000 0.000000\n-0.000000 8.123475 0.000000\n0.000000 0.000000 9.002102\nHg P Br\n8 12 4\ndirect\n0.601504 0.714055 0.172136 Hg\n0.398495 0.214054 0.327864 Hg\n0.898495 0.285946 0.172136 Hg\n0.398495 0.285946 0.827864 Hg\n0.101505 0.714055 0.827864 Hg\n0.601504 0.785946 0.672136 Hg\n0.898495 0.214054 0.672136 Hg\n0.101505 0.785946 0.327864 Hg\n0.750000 0.500000 0.321816 P\n0.078399 0.113482 0.011869 P\n0.250000 0.500000 0.678183 P\n0.250000 0.000000 0.178184 P\n0.078399 0.386518 0.511869 P\n0.421601 0.613482 0.511869 P\n0.921600 0.886519 0.988131 P\n0.421601 0.886519 0.011869 P\n0.921600 0.613482 0.488131 P\n0.578399 0.386518 0.488131 P\n0.750000 0.000000 0.821816 P\n0.578399 0.113482 0.988131 P\n0.250000 0.500000 0.112093 Br\n0.750000 0.500000 0.887907 Br\n0.750000 0.000000 0.387907 Br\n0.250000 0.000000 0.612093 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"P",
"Br"
],
"chemical_system": "Br-Hg-P",
"density": 6.535482719954607,
"density_atomic": 0.041139966318409944,
"volume": 583.374323018347,
"volume_molar": 14.638176204109142,
"formula_full": "Hg8 P12 Br4",
"formula_reduced": "Hg2P3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0010866341666669,
"spacegroup": 60
},
{
"id": "jvasp-58925",
"created_at": "2022-09-04T14:37:10.936603Z",
"updated_at": "2022-09-04T14:37:10.936611Z",
"structure_string": "Hg8 P12 Br4\n1.0\n7.977397 -0.000000 0.000000\n-0.000000 8.123132 0.000000\n0.000000 0.000000 9.002573\nHg P Br\n8 12 4\ndirect\n0.898537 0.214023 0.672136 Hg\n0.601463 0.785977 0.672136 Hg\n0.101463 0.714022 0.827864 Hg\n0.398537 0.285977 0.827864 Hg\n0.898537 0.285977 0.172136 Hg\n0.398537 0.214023 0.327864 Hg\n0.101463 0.785977 0.327864 Hg\n0.601463 0.714022 0.172136 Hg\n0.578400 0.113491 0.988135 P\n0.750000 0.500000 0.321831 P\n0.750000 0.000000 0.821831 P\n0.250000 0.500000 0.678169 P\n0.250000 0.000000 0.178169 P\n0.078400 0.386509 0.511864 P\n0.421601 0.886509 0.011865 P\n0.921601 0.886509 0.988135 P\n0.921601 0.613491 0.488135 P\n0.578400 0.386509 0.488135 P\n0.078400 0.113491 0.011865 P\n0.421601 0.613491 0.511864 P\n0.750000 0.000000 0.387928 Br\n0.250000 0.500000 0.112071 Br\n0.750000 0.500000 0.887928 Br\n0.250000 0.000000 0.612071 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"P",
"Br"
],
"chemical_system": "Br-Hg-P",
"density": 6.535421656486734,
"density_atomic": 0.04113958193226446,
"volume": 583.3797737545204,
"volume_molar": 14.63831297536115,
"formula_full": "Hg8 P12 Br4",
"formula_reduced": "Hg2P3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0010649675,
"spacegroup": 60
},
{
"id": "jvasp-98031",
"created_at": "2022-09-04T14:35:51.907833Z",
"updated_at": "2022-09-04T14:35:51.907858Z",
"structure_string": "Hg8 P4 O14\n1.0\n4.870205 0.000000 0.000000\n0.000000 9.098710 -1.523571\n0.000000 -0.070953 9.814804\nHg P O\n8 4 14\ndirect\n0.675294 0.516263 0.100169 Hg\n0.324705 0.483737 0.899831 Hg\n0.324705 0.016264 0.600169 Hg\n0.437853 0.315434 0.377742 Hg\n0.437853 0.184567 0.122258 Hg\n0.562146 0.684567 0.622258 Hg\n0.562146 0.815434 0.877742 Hg\n0.675294 0.983737 0.399831 Hg\n0.106633 0.848457 0.143012 P\n0.106633 0.651543 0.356988 P\n0.893366 0.151543 0.856987 P\n0.893366 0.348457 0.643012 P\n0.953937 0.520488 0.271543 O\n0.638787 0.088811 0.919151 O\n0.046062 0.479513 0.728457 O\n0.936212 0.743947 0.039309 O\n0.936212 0.756053 0.460691 O\n0.063787 0.256053 0.960690 O\n0.063787 0.243947 0.539309 O\n0.242296 0.750000 0.250000 O\n0.757703 0.250000 0.750000 O\n0.361212 0.588811 0.419152 O\n0.361212 0.911189 0.080848 O\n0.638787 0.411190 0.580848 O\n0.046062 0.020488 0.771543 O\n0.953937 0.979513 0.228457 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Hg",
"P",
"O"
],
"chemical_system": "Hg-O-P",
"density": 7.464164552280942,
"density_atomic": 0.0598536572090209,
"volume": 434.39283767076785,
"volume_molar": 10.061441590727672,
"formula_full": "Hg8 P4 O14",
"formula_reduced": "Hg4P2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.4171172230769231,
"spacegroup": 13
},
{
"id": "jvasp-25578",
"created_at": "2022-09-04T14:38:13.995997Z",
"updated_at": "2022-09-04T14:38:13.996023Z",
"structure_string": "Hg8 Se4 O12\n1.0\n7.003708 0.000000 3.474640\n3.068316 7.991693 2.611189\n-0.076163 -0.048978 8.949404\nHg Se O\n8 4 12\ndirect\n0.367169 0.224456 0.560858 Hg\n0.652484 0.439141 0.775543 Hg\n0.847518 0.224456 0.560858 Hg\n0.152484 0.775544 0.439141 Hg\n0.867169 0.560858 0.224456 Hg\n0.632833 0.775544 0.439141 Hg\n0.347518 0.560858 0.224456 Hg\n0.132832 0.439141 0.775544 Hg\n0.696872 0.770549 0.835708 Se\n0.196872 0.835708 0.770549 Se\n0.303130 0.229450 0.164291 Se\n0.803130 0.164291 0.229450 Se\n0.386384 0.921316 0.652002 O\n0.040299 0.921316 0.652002 O\n0.175330 0.288160 0.361180 O\n0.540299 0.652002 0.921316 O\n0.675331 0.361180 0.288160 O\n0.824671 0.711839 0.638819 O\n0.959703 0.078683 0.347997 O\n0.613618 0.078683 0.347997 O\n0.113618 0.347997 0.078683 O\n0.886384 0.652002 0.921316 O\n0.324671 0.638819 0.711839 O\n0.459703 0.347997 0.078683 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.968568326230552,
"density_atomic": 0.04767581595583176,
"volume": 503.39987934835324,
"volume_molar": 12.631437216678334,
"formula_full": "Hg8 Se4 O12",
"formula_reduced": "Hg2SeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8876671777777776,
"spacegroup": 72
},
{
"id": "jvasp-89202",
"created_at": "2022-09-04T14:36:19.233304Z",
"updated_at": "2022-09-04T14:36:19.233335Z",
"structure_string": "Hg8 Se4 O12\n1.0\n5.149390 0.000000 0.000000\n0.000000 8.392357 -2.114317\n0.000000 0.001142 10.492048\nHg Se O\n8 4 12\ndirect\n0.730504 0.158812 0.593419 Hg\n0.269496 0.841188 0.406581 Hg\n0.769496 0.658812 0.093419 Hg\n0.797423 0.107898 0.341176 Hg\n0.702577 0.607899 0.841176 Hg\n0.202577 0.892102 0.658824 Hg\n0.297423 0.392102 0.158824 Hg\n0.230504 0.341188 0.906581 Hg\n0.243779 0.464395 0.620049 Se\n0.756221 0.535605 0.379950 Se\n0.743779 0.035604 0.879951 Se\n0.256221 0.964396 0.120049 Se\n0.165553 0.309773 0.694790 O\n0.653328 0.870442 0.762471 O\n0.153329 0.629558 0.737529 O\n0.346671 0.129558 0.237529 O\n0.419279 0.525086 0.361176 O\n0.080721 0.025086 0.861176 O\n0.580721 0.474914 0.638824 O\n0.334447 0.809773 0.194789 O\n0.834447 0.690227 0.305210 O\n0.665553 0.190227 0.805211 O\n0.846671 0.370442 0.262471 O\n0.919279 0.974914 0.138824 O\n",
"nsites": 24,
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"elements": [
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"Se",
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],
"chemical_system": "Hg-O-Se",
"density": 7.736504044474261,
"density_atomic": 0.05292968737603217,
"volume": 453.43173537933603,
"volume_molar": 11.377623897939309,
"formula_full": "Hg8 Se4 O12",
"formula_reduced": "Hg2SeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8854171777777776,
"spacegroup": 14
},
{
"id": "jvasp-87205",
"created_at": "2022-09-04T14:36:10.947268Z",
"updated_at": "2022-09-04T14:36:10.947297Z",
"structure_string": "Hg9 S3 O18\n1.0\n7.144479 0.000000 0.000000\n-3.572239 6.187299 0.000000\n0.000000 0.000000 10.159414\nHg S O\n9 3 18\ndirect\n0.311755 0.810848 0.980027 Hg\n0.499092 0.688245 0.646694 Hg\n0.701866 0.000125 0.327253 Hg\n-0.000125 0.701741 0.660585 Hg\n0.298259 0.298134 0.993919 Hg\n0.811223 0.312854 0.008403 Hg\n0.687146 0.498368 0.341736 Hg\n0.501632 0.188777 0.675070 Hg\n0.189152 0.500908 0.313360 Hg\n0.224233 0.005992 0.326379 S\n0.994008 0.218241 0.659712 S\n0.781759 0.775767 0.993045 S\n0.096502 0.105964 0.724431 O\n0.009462 0.903498 0.391097 O\n0.894036 0.990538 0.057764 O\n0.145834 0.380069 0.562437 O\n0.484266 0.154892 0.944235 O\n0.667633 0.605320 0.094841 O\n0.394681 0.062313 0.428174 O\n0.937687 0.332367 0.761507 O\n0.150699 0.478620 0.045116 O\n0.521380 0.672080 0.378448 O\n0.327920 0.849301 0.711781 O\n0.936714 0.730353 0.920711 O\n0.269647 0.206360 0.254044 O\n0.793640 0.063286 0.587378 O\n0.619931 0.765764 0.895770 O\n0.234236 0.854166 0.229104 O\n0.845108 0.329375 0.277569 O\n0.670625 0.515734 0.610902 O\n",
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],
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"volume": 449.09717801949085,
"volume_molar": 9.015088069840505,
"formula_full": "Hg9 S3 O18",
"formula_reduced": "Hg3SO6",
"formula_anonymous": "AB3C6",
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"spacegroup": 144
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{
"id": "jvasp-25325",
"created_at": "2022-09-04T14:37:52.594083Z",
"updated_at": "2022-09-04T14:37:52.594108Z",
"structure_string": "Ho1\n1.0\n3.205369 -0.000000 -1.133269\n-1.602684 2.775931 -1.133269\n-0.000000 -0.000000 3.399807\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
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"formula_full": "Ho1",
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"formula_anonymous": "A",
"energy_above_hull": 0.14826,
"spacegroup": 229
},
{
"id": "jvasp-16340",
"created_at": "2022-09-04T14:38:29.049302Z",
"updated_at": "2022-09-04T14:38:29.049331Z",
"structure_string": "Ho1\n1.0\n3.013589 0.000000 1.739896\n1.004529 2.841239 1.739896\n0.000000 0.000000 3.479792\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
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"formula_full": "Ho1",
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"spacegroup": 225
},
{
"id": "jvasp-15779",
"created_at": "2022-09-04T14:35:46.453741Z",
"updated_at": "2022-09-04T14:35:46.453768Z",
"structure_string": "Ho1\n1.0\n3.205370 -0.000000 -1.133269\n-1.602685 2.775932 -1.133269\n-0.000000 -0.000000 3.399808\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
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{
"id": "jvasp-25080",
"created_at": "2022-09-04T14:37:58.810639Z",
"updated_at": "2022-09-04T14:37:58.810651Z",
"structure_string": "Ho1\n1.0\n3.013595 0.000000 1.739899\n1.004532 2.841245 1.739899\n0.000000 0.000000 3.479800\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
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"spacegroup": 225
}
]
}