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{
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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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],
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"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,
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"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-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",
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],
"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-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-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-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,
"nelements": 3,
"elements": [
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"Se",
"O"
],
"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-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": [
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"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-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",
"nsites": 30,
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],
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"density": 8.095665778234576,
"density_atomic": 0.06680068695220792,
"volume": 449.09717801949085,
"volume_molar": 9.015088069840505,
"formula_full": "Hg9 S3 O18",
"formula_reduced": "Hg3SO6",
"formula_anonymous": "AB3C6",
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"spacegroup": 144
},
{
"id": "jvasp-86277",
"created_at": "2022-09-04T14:38:18.149737Z",
"updated_at": "2022-09-04T14:38:18.149756Z",
"structure_string": "Ho10 Co4 Bi2\n1.0\n6.790750 0.000000 -3.221399\n-1.528169 6.616570 -3.221399\n-0.052131 -0.065544 8.658301\nHo Co Bi\n10 4 2\ndirect\n0.527744 0.714851 0.742594 Ho\n0.972256 0.472256 0.257405 Ho\n0.285149 0.785150 0.257405 Ho\n0.027744 0.527744 0.742594 Ho\n0.000000 0.000000 0.000000 Ho\n0.214851 0.027744 0.742595 Ho\n0.472256 0.285150 0.257406 Ho\n0.714851 0.214851 0.742594 Ho\n0.785149 0.972256 0.257405 Ho\n0.500000 0.500000 -0.000000 Ho\n0.639511 0.139511 -0.000000 Co\n0.360489 0.860489 -0.000000 Co\n0.860489 0.639511 -0.000000 Co\n0.139511 0.360489 -0.000000 Co\n0.250000 0.250000 0.500000 Bi\n0.750000 0.750000 0.500000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Ho",
"density": 9.903124579355726,
"density_atomic": 0.04143332598237022,
"volume": 386.16257856798563,
"volume_molar": 14.534533777381055,
"formula_full": "Ho10 Co4 Bi2",
"formula_reduced": "Ho5Co2Bi",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.0565042416666666,
"spacegroup": 140
},
{
"id": "jvasp-86879",
"created_at": "2022-09-04T14:36:22.236430Z",
"updated_at": "2022-09-04T14:36:22.236465Z",
"structure_string": "Ho10 Co4 Bi2\n1.0\n6.791008 0.000000 -3.221521\n-1.528227 6.616821 -3.221521\n-0.052210 -0.065643 8.658469\nHo Co Bi\n10 4 2\ndirect\n0.527736 0.714849 0.742586 Ho\n0.972264 0.472264 0.257415 Ho\n0.285151 0.785151 0.257415 Ho\n0.027736 0.527736 0.742585 Ho\n0.000000 0.000000 0.000000 Ho\n0.214849 0.027737 0.742586 Ho\n0.472264 0.285151 0.257415 Ho\n0.714849 0.214849 0.742586 Ho\n0.785151 0.972264 0.257415 Ho\n0.500000 0.500000 0.000000 Ho\n0.639494 0.139494 0.000000 Co\n0.360506 0.860506 -0.000000 Co\n0.860506 0.639494 0.000000 Co\n0.139494 0.360506 -0.000000 Co\n0.250000 0.250000 0.500000 Bi\n0.750000 0.750000 0.500000 Bi\n",
"nsites": 16,
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"elements": [
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"Co",
"Bi"
],
"chemical_system": "Bi-Co-Ho",
"density": 9.902290338074357,
"density_atomic": 0.041429835630342235,
"volume": 386.19511172479713,
"volume_molar": 14.535758272691593,
"formula_full": "Ho10 Co4 Bi2",
"formula_reduced": "Ho5Co2Bi",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.0565042416666666,
"spacegroup": 140
},
{
"id": "jvasp-56619",
"created_at": "2022-09-04T14:37:37.577810Z",
"updated_at": "2022-09-04T14:37:37.577832Z",
"structure_string": "Ho10 Ga6\n1.0\n4.234284 -7.333995 -0.000000\n4.234284 7.333995 0.000000\n-0.000000 0.000000 6.473966\nHo Ga\n10 6\ndirect\n0.241888 0.241888 0.750000 Ho\n0.758112 -0.000001 0.750000 Ho\n0.333332 0.666667 0.000000 Ho\n0.758111 0.758111 0.250000 Ho\n-0.000000 0.241888 0.250000 Ho\n-0.000001 0.758112 0.750000 Ho\n0.666667 0.333332 0.000000 Ho\n0.241888 -0.000000 0.250000 Ho\n0.333332 0.666667 0.500000 Ho\n0.666667 0.333332 0.500000 Ho\n0.598433 -0.000000 0.250000 Ga\n-0.000000 0.401567 0.750000 Ga\n0.401567 0.401567 0.250000 Ga\n-0.000000 0.598433 0.250000 Ga\n0.401567 -0.000000 0.750000 Ga\n0.598432 0.598432 0.750000 Ga\n",
"nsites": 16,
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"elements": [
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],
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"density": 8.538926433158288,
"density_atomic": 0.03979229428203268,
"volume": 402.08789889313925,
"volume_molar": 15.13393703141958,
"formula_full": "Ho10 Ga6",
"formula_reduced": "Ho5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.8208865333333333,
"spacegroup": 193
},
{
"id": "jvasp-86699",
"created_at": "2022-09-04T14:35:48.185287Z",
"updated_at": "2022-09-04T14:35:48.185314Z",
"structure_string": "Ho10 Ni2 Pb6\n1.0\n9.068445 -0.000000 0.000000\n-4.534222 7.853504 -0.000000\n0.000000 0.000000 6.641402\nHo Ni Pb\n10 2 6\ndirect\n0.000000 0.761160 0.750000 Ho\n0.666667 0.333333 0.000000 Ho\n0.333333 0.666667 0.000000 Ho\n0.238840 0.238840 0.750000 Ho\n0.666667 0.333333 0.500000 Ho\n0.000000 0.238840 0.250000 Ho\n0.761160 0.000000 0.750000 Ho\n0.761160 0.761160 0.250000 Ho\n0.333333 0.666667 0.500000 Ho\n0.238840 0.000000 0.250000 Ho\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.600823 0.250000 Pb\n0.399176 0.399176 0.250000 Pb\n0.600823 0.600823 0.750000 Pb\n0.600823 0.000000 0.250000 Pb\n0.399176 0.000000 0.750000 Pb\n0.000000 0.399176 0.750000 Pb\n",
"nsites": 18,
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"elements": [
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"Pb"
],
"chemical_system": "Ho-Ni-Pb",
"density": 10.566804203969964,
"density_atomic": 0.03805541338021785,
"volume": 472.99446783455124,
"volume_molar": 15.824662577783112,
"formula_full": "Ho10 Ni2 Pb6",
"formula_reduced": "Ho5NiPb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.0932891881481483,
"spacegroup": 193
}
]
}