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{
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{
"id": "jvasp-59046",
"created_at": "2022-09-04T14:38:30.681026Z",
"updated_at": "2022-09-04T14:38:30.681057Z",
"structure_string": "Ag8 Hg4 O8\n1.0\n6.270466 0.000000 0.000000\n0.000000 6.270466 0.000000\n0.000000 0.000000 8.435795\nAg Hg O\n8 4 8\ndirect\n0.499453 0.745473 0.628401 Ag\n0.999453 0.754528 0.621598 Ag\n0.245473 0.000547 0.878401 Ag\n0.754528 0.999453 0.378401 Ag\n0.254527 0.500547 0.871598 Ag\n0.000547 0.245473 0.121599 Ag\n0.500547 0.254527 0.128401 Ag\n0.745473 0.499453 0.371598 Ag\n0.789642 0.789642 0.000000 Hg\n0.710359 0.289642 0.750000 Hg\n0.289642 0.710359 0.250000 Hg\n0.210359 0.210359 0.500000 Hg\n0.249536 0.623154 0.486221 O\n0.750465 0.376846 0.986220 O\n0.623154 0.249536 0.513779 O\n0.123154 0.250464 0.736221 O\n0.749536 0.876847 0.763779 O\n0.376846 0.750465 0.013779 O\n0.876847 0.749536 0.236221 O\n0.250464 0.123154 0.263779 O\n",
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"density": 8.977937705987896,
"density_atomic": 0.06029819940821394,
"volume": 331.68486283647735,
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"formula_full": "Ag8 Hg4 O8",
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"spacegroup": 96
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{
"id": "jvasp-36787",
"created_at": "2022-09-04T14:38:00.135799Z",
"updated_at": "2022-09-04T14:38:00.135829Z",
"structure_string": "Ag2 Hg2 O4\n1.0\n0.000000 5.790024 0.042819\n3.685823 0.000000 0.000000\n0.000000 -1.960873 -5.781926\nAg Hg O\n2 2 4\ndirect\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.283282 0.685039 0.204105 O\n0.716718 0.314960 0.795895 O\n0.283282 0.814960 0.704106 O\n0.716718 0.185039 0.295895 O\n",
"nsites": 8,
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"density": 9.186383781434756,
"density_atomic": 0.06499698490710916,
"volume": 123.0826323933833,
"volume_molar": 9.265261717303625,
"formula_full": "Ag2 Hg2 O4",
"formula_reduced": "AgHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.664824715,
"spacegroup": 14
},
{
"id": "jvasp-25808",
"created_at": "2022-09-04T14:37:44.571765Z",
"updated_at": "2022-09-04T14:37:44.571795Z",
"structure_string": "Ag4 Hg8 P4 O16\n1.0\n6.293411 0.000000 0.000000\n0.000000 8.688215 -0.000000\n0.000000 0.000000 9.314363\nAg Hg P O\n4 8 4 16\ndirect\n0.000000 0.526413 0.151968 Ag\n0.000000 0.026413 0.348032 Ag\n0.000000 0.973588 0.651967 Ag\n0.000000 0.473587 0.848032 Ag\n0.212127 0.753385 0.472349 Hg\n0.787873 0.746616 0.972348 Hg\n0.787873 0.253384 0.027651 Hg\n0.787873 0.246616 0.527651 Hg\n0.212127 0.246616 0.527651 Hg\n0.212127 0.253384 0.027651 Hg\n0.212127 0.746616 0.972348 Hg\n0.787873 0.753385 0.472349 Hg\n0.500000 0.040056 0.781869 P\n0.500000 0.959945 0.218131 P\n0.500000 0.459945 0.281869 P\n0.500000 0.540056 0.718131 P\n0.500000 0.666839 0.597766 O\n0.500000 0.384713 0.130331 O\n0.707988 0.054181 0.201795 O\n0.292012 0.554181 0.298205 O\n0.500000 0.615287 0.869669 O\n0.707988 0.945820 0.798204 O\n0.500000 0.884713 0.369669 O\n0.292012 0.945820 0.798204 O\n0.707988 0.445819 0.701795 O\n0.500000 0.166838 0.902233 O\n0.500000 0.833162 0.097766 O\n0.500000 0.115287 0.630330 O\n0.292012 0.054181 0.201795 O\n0.707988 0.554181 0.298205 O\n0.500000 0.333162 0.402233 O\n0.292012 0.445819 0.701795 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"O"
],
"chemical_system": "Ag-Hg-O-P",
"density": 7.877533871273076,
"density_atomic": 0.0628318959389839,
"volume": 509.29547042596363,
"volume_molar": 9.584528160423657,
"formula_full": "Ag4 Hg8 P4 O16",
"formula_reduced": "AgHg2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.162316995,
"spacegroup": 55
},
{
"id": "jvasp-45308",
"created_at": "2022-09-04T14:38:28.962715Z",
"updated_at": "2022-09-04T14:38:28.962744Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n7.035411 -0.014655 0.303364\n0.289933 7.029450 0.303364\n-0.015303 -0.014655 7.041931\nAg Hg Sb O\n2 6 2 12\ndirect\n0.750000 0.749999 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.908864 0.249999 0.591135 Hg\n0.591136 0.908863 0.249999 Hg\n0.250000 0.591135 0.908863 Hg\n0.408864 0.091135 0.750000 Hg\n0.750000 0.408863 0.091136 Hg\n0.091136 0.750000 0.408863 Hg\n0.500000 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Sb\n0.004745 0.288255 0.991581 O\n0.788255 0.504744 0.491580 O\n0.508419 0.211744 0.495254 O\n0.495255 0.508418 0.211744 O\n0.211745 0.495254 0.508418 O\n0.711745 0.008418 0.995254 O\n0.995254 0.711744 0.008418 O\n0.008419 0.995254 0.711744 O\n0.491581 0.788255 0.504744 O\n0.504745 0.491580 0.788255 O\n0.991581 0.004744 0.288255 O\n0.288255 0.991581 0.004744 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Hg",
"Sb",
"O"
],
"chemical_system": "Ag-Hg-O-Sb",
"density": 8.841492763747794,
"density_atomic": 0.06315454647593588,
"volume": 348.3518009013457,
"volume_molar": 9.535561722851812,
"formula_full": "Ag2 Hg6 Sb2 O12",
"formula_reduced": "AgHg3SbO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.1242361963636365,
"spacegroup": 167
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{
"id": "jvasp-101678",
"created_at": "2022-09-04T14:36:40.760698Z",
"updated_at": "2022-09-04T14:36:40.760723Z",
"structure_string": "V1 Ag3 Hg1 O4\n1.0\n4.312232 -0.007127 -1.873057\n-2.126980 5.410308 0.903367\n-0.024388 0.018922 6.071024\nV Ag Hg O\n1 3 1 4\ndirect\n-0.000823 0.003051 0.009528 V\n0.870234 0.406585 0.252917 Ag\n0.387185 0.247758 0.585814 Ag\n0.551210 0.738628 0.405537 Ag\n0.202981 0.590609 0.714362 Hg\n0.694970 0.752432 0.084208 O\n0.875130 0.258386 0.926379 O\n0.044213 0.921256 0.765240 O\n0.374893 0.081292 0.256010 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"V",
"Ag",
"Hg",
"O"
],
"chemical_system": "Ag-Hg-O-V",
"density": 7.51087180864175,
"density_atomic": 0.0636930497481649,
"volume": 141.3027015598245,
"volume_molar": 9.45494176179483,
"formula_full": "V1 Ag3 Hg1 O4",
"formula_reduced": "VAg3HgO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.387322731111111,
"spacegroup": 1
},
{
"id": "jvasp-11706",
"created_at": "2022-09-04T14:37:36.456305Z",
"updated_at": "2022-09-04T14:37:36.456326Z",
"structure_string": "V2 Ag2 Hg2 O8\n1.0\n5.495281 0.000000 -0.000000\n-2.747641 5.196334 -0.579799\n-0.000000 -0.249096 7.153845\nV Ag Hg O\n2 2 2 8\ndirect\n0.316807 0.625332 0.771815 V\n0.691474 0.374666 0.228185 V\n0.355414 0.729206 0.283648 Ag\n0.626207 0.270792 0.716353 Ag\n0.006142 -0.000000 0.000000 Hg\n0.965756 -0.000000 0.500000 Hg\n0.226112 0.732140 0.980035 O\n0.493971 0.267859 0.019965 O\n0.494974 0.235844 0.405924 O\n0.259130 0.764155 0.594077 O\n0.082671 0.276752 0.735239 O\n0.805918 0.723246 0.264762 O\n0.957134 0.289250 0.216870 O\n0.667884 0.710749 0.783131 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Ag",
"Hg",
"O"
],
"chemical_system": "Ag-Hg-O-V",
"density": 6.910210434418977,
"density_atomic": 0.06880058505845688,
"volume": 203.48664169214268,
"volume_molar": 8.75303713606977,
"formula_full": "V2 Ag2 Hg2 O8",
"formula_reduced": "VAgHgO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7719557228571423,
"spacegroup": 5
},
{
"id": "jvasp-42854",
"created_at": "2022-09-04T14:36:11.089515Z",
"updated_at": "2022-09-04T14:36:11.089540Z",
"structure_string": "Ag1 Hg1 Pd2\n1.0\n-0.000001 3.250592 3.250591\n3.250591 0.000000 3.250591\n3.250591 3.250592 -0.000001\nAg Hg Pd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ag\n0.750000 0.750001 0.750000 Hg\n0.499999 0.499999 0.499999 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pd"
],
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"density": 12.601379016299163,
"density_atomic": 0.058229457329788514,
"volume": 68.69375370176625,
"volume_molar": 10.342086353120186,
"formula_full": "Ag1 Hg1 Pd2",
"formula_reduced": "AgHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.324918315,
"spacegroup": 225
},
{
"id": "jvasp-101598",
"created_at": "2022-09-04T14:36:46.035764Z",
"updated_at": "2022-09-04T14:36:46.035787Z",
"structure_string": "Pm2 Ag1 Hg1\n1.0\n4.591477 0.000000 2.650890\n1.530492 4.328886 2.650890\n-0.000000 -0.000000 5.301780\nPm Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750001 0.750000 Pm\n0.500000 0.500001 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Hg-Pm",
"density": 9.430455169664395,
"density_atomic": 0.03795855983406333,
"volume": 105.37807591979482,
"volume_molar": 15.865040155174274,
"formula_full": "Pm2 Ag1 Hg1",
"formula_reduced": "Pm2AgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.503175098125,
"spacegroup": 225
},
{
"id": "jvasp-42098",
"created_at": "2022-09-04T14:37:46.422211Z",
"updated_at": "2022-09-04T14:37:46.422221Z",
"structure_string": "Pm1 Ag1 Hg2\n1.0\n-0.000000 3.587451 3.587451\n3.587451 -0.000000 3.587451\n3.587451 3.587451 -0.000000\nPm Ag Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Pm\n0.250001 0.250001 0.250001 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"elements": [
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"chemical_system": "Ag-Hg-Pm",
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"density_atomic": 0.04331836556903867,
"volume": 92.3395873194938,
"volume_molar": 13.902049813957571,
"formula_full": "Pm1 Ag1 Hg2",
"formula_reduced": "PmAgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38418",
"created_at": "2022-09-04T14:38:01.041099Z",
"updated_at": "2022-09-04T14:38:01.041117Z",
"structure_string": "Pr2 Ag1 Hg1\n1.0\n-0.000000 3.802364 3.802364\n3.802364 -0.000000 3.802364\n3.802364 3.802364 -0.000000\nPr Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499998 0.499998 0.499998 Pr\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 8.914794153238693,
"density_atomic": 0.03638052208393649,
"volume": 109.9489444041312,
"volume_molar": 16.55320049037731,
"formula_full": "Pr2 Ag1 Hg1",
"formula_reduced": "Pr2AgHg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41826",
"created_at": "2022-09-04T14:37:32.334042Z",
"updated_at": "2022-09-04T14:37:32.334062Z",
"structure_string": "Pr1 Ag1 Hg2\n1.0\n-0.000001 3.625784 3.625783\n3.625782 -0.000000 3.625782\n3.625783 3.625785 -0.000001\nPr Ag Hg\n1 1 2\ndirect\n0.750000 0.749999 0.750000 Pr\n0.249999 0.249999 0.249999 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.499999 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.04195892866428787,
"volume": 95.33131868079569,
"volume_molar": 14.352465498304229,
"formula_full": "Pr1 Ag1 Hg2",
"formula_reduced": "PrAgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10532",
"created_at": "2022-09-04T14:37:19.234127Z",
"updated_at": "2022-09-04T14:37:19.234151Z",
"structure_string": "Ag4 Hg2 S4\n1.0\n0.000000 4.178237 -0.018728\n7.942840 0.000000 0.000000\n0.000000 -2.320955 -6.312035\nAg Hg S\n4 2 4\ndirect\n0.387333 0.149493 0.599234 Ag\n0.612667 0.649493 0.900768 Ag\n0.387333 0.350507 0.099233 Ag\n0.612667 0.850507 0.400768 Ag\n-0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.189036 0.873883 0.730817 S\n0.810964 0.373883 0.769185 S\n0.810964 0.126117 0.269184 S\n0.189036 0.626117 0.230816 S\n",
"nsites": 10,
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"elements": [
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"Hg",
"S"
],
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"density": 7.604656490125824,
"density_atomic": 0.04765917555766921,
"volume": 209.82318479050613,
"volume_molar": 12.635847535199192,
"formula_full": "Ag4 Hg2 S4",
"formula_reduced": "Ag2HgS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3237538240000001,
"spacegroup": 14
}
]
}