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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1542",
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"results": [
{
"id": "jvasp-16678",
"created_at": "2022-09-04T14:38:18.300455Z",
"updated_at": "2022-09-04T14:38:18.300487Z",
"structure_string": "Hg2 Rh1\n1.0\n4.631190 0.000000 0.000000\n0.000000 4.631190 -0.000000\n0.000000 -0.000000 3.066325\nHg Rh\n2 1\ndirect\n0.000000 0.500000 0.499999 Hg\n0.500000 0.000000 0.499999 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Rh"
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"chemical_system": "Hg-Rh",
"density": 12.727699736162725,
"density_atomic": 0.04561607071935695,
"volume": 65.76629579642784,
"volume_molar": 13.201796351662825,
"formula_full": "Hg2 Rh1",
"formula_reduced": "Hg2Rh",
"formula_anonymous": "AB2",
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},
{
"id": "jvasp-25595",
"created_at": "2022-09-04T14:38:00.688177Z",
"updated_at": "2022-09-04T14:38:00.688210Z",
"structure_string": "Hg4 Sb4 O14\n1.0\n6.442727 0.000000 3.719710\n2.147575 6.074261 3.719710\n0.000000 0.000000 7.439420\nHg Sb O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Hg\n0.500001 0.500000 0.500000 Hg\n0.500001 0.500000 -0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n-0.000000 -0.000000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.375000 0.375000 0.375000 O\n0.929130 0.320871 0.320871 O\n0.929130 0.320871 0.929129 O\n0.625001 0.625000 0.625000 O\n0.679129 0.070871 0.679129 O\n0.929130 0.929129 0.320871 O\n0.070872 0.679129 0.679129 O\n0.679129 0.070871 0.070871 O\n0.320871 0.320871 0.929129 O\n0.679130 0.679129 0.070871 O\n0.320872 0.929129 0.320871 O\n0.320872 0.929129 0.929129 O\n0.070872 0.679129 0.070871 O\n0.070871 0.070871 0.679129 O\n",
"nsites": 22,
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"elements": [
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"O"
],
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"density": 8.631736229052583,
"density_atomic": 0.07556495443976423,
"volume": 291.14025361501484,
"volume_molar": 7.969489037144174,
"formula_full": "Hg4 Sb4 O14",
"formula_reduced": "Hg2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.7406241727272724,
"spacegroup": 227
},
{
"id": "jvasp-75808",
"created_at": "2022-09-04T14:35:51.060296Z",
"updated_at": "2022-09-04T14:35:51.060324Z",
"structure_string": "Hg2 Sb1 As1\n1.0\n4.105860 0.000000 -0.000000\n0.000000 4.105860 0.000000\n-0.000000 0.000000 6.386372\nHg Sb As\n2 1 1\ndirect\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Sb",
"As"
],
"chemical_system": "As-Hg-Sb",
"density": 9.221196389869045,
"density_atomic": 0.03715330949810837,
"volume": 107.66201057280392,
"volume_molar": 16.208894554350838,
"formula_full": "Hg2 Sb1 As1",
"formula_reduced": "Hg2SbAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2332867625,
"spacegroup": 123
},
{
"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,
"nelements": 3,
"elements": [
"Hg",
"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-10131",
"created_at": "2022-09-04T14:38:07.323203Z",
"updated_at": "2022-09-04T14:38:07.323230Z",
"structure_string": "Hg4 Se2 O8\n1.0\n0.000000 6.434311 -0.029042\n4.640890 0.000000 0.000000\n0.000000 -0.311862 -8.690112\nHg Se O\n4 2 8\ndirect\n0.189394 0.066369 0.474101 Hg\n0.810606 0.066369 0.025898 Hg\n0.810606 0.933631 0.525898 Hg\n0.189394 0.933631 0.974101 Hg\n0.500000 0.455794 0.250000 Se\n0.500000 0.544206 0.750000 Se\n0.502863 0.767690 0.593509 O\n0.497137 0.767690 0.906491 O\n0.497137 0.232310 0.406491 O\n0.502863 0.232310 0.093509 O\n0.720454 0.359950 0.759316 O\n0.279546 0.359950 0.740683 O\n0.720454 0.640050 0.259316 O\n0.279546 0.640050 0.240683 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.962878092179571,
"density_atomic": 0.053942242525091756,
"volume": 259.53685543361985,
"volume_molar": 11.164053398778782,
"formula_full": "Hg4 Se2 O8",
"formula_reduced": "Hg2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.184523795238095,
"spacegroup": 13
},
{
"id": "jvasp-10130",
"created_at": "2022-09-04T14:38:12.485468Z",
"updated_at": "2022-09-04T14:38:12.485497Z",
"structure_string": "Hg4 S2 O8\n1.0\n0.000000 6.342576 0.000084\n4.452973 0.000000 0.000000\n0.000000 -0.419383 -8.509224\nHg S O\n4 2 8\ndirect\n0.190224 0.066969 0.469952 Hg\n0.809777 0.066969 0.030049 Hg\n0.809777 0.933030 0.530049 Hg\n0.190224 0.933030 0.969951 Hg\n0.500000 0.440339 0.250000 S\n0.500001 0.559661 0.750000 S\n0.503479 0.762762 0.606555 O\n0.496522 0.762762 0.893445 O\n0.496522 0.237237 0.393445 O\n0.503479 0.237237 0.106555 O\n0.695839 0.385251 0.761806 O\n0.304162 0.385251 0.738193 O\n0.695839 0.614749 0.261807 O\n0.304162 0.614749 0.238194 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"S",
"O"
],
"chemical_system": "Hg-O-S",
"density": 6.871349000185345,
"density_atomic": 0.058253580109892185,
"volume": 240.32857677742325,
"volume_molar": 10.337803700029356,
"formula_full": "Hg4 S2 O8",
"formula_reduced": "Hg2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2030175999999997,
"spacegroup": 13
},
{
"id": "jvasp-5680",
"created_at": "2022-09-04T14:36:46.952386Z",
"updated_at": "2022-09-04T14:36:46.952411Z",
"structure_string": "Hg4 Te2 O6\n1.0\n3.596550 0.000000 0.000000\n0.000000 5.896406 0.000000\n0.000000 0.000000 11.540511\nHg Te O\n4 2 6\ndirect\n0.048815 0.814208 0.940170 Hg\n0.048815 0.185792 0.059830 Hg\n0.048815 0.185792 0.440170 Hg\n0.048815 0.814208 0.559830 Hg\n0.463009 0.557161 0.250000 Te\n0.463009 0.442839 0.750000 Te\n0.094133 0.534409 0.373903 O\n0.094133 0.465592 0.626097 O\n0.094133 0.465592 0.873903 O\n0.094133 0.534409 0.126097 O\n0.557995 0.243626 0.250000 O\n0.557995 0.756375 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"Te",
"O"
],
"chemical_system": "Hg-O-Te",
"density": 7.826893229299706,
"density_atomic": 0.049032351871089286,
"volume": 244.73637388533066,
"volume_molar": 12.28197410524541,
"formula_full": "Hg4 Te2 O6",
"formula_reduced": "Hg2TeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7862145777777778,
"spacegroup": 28
},
{
"id": "jvasp-102742",
"created_at": "2022-09-04T14:37:01.951276Z",
"updated_at": "2022-09-04T14:37:01.951305Z",
"structure_string": "Hg2 Te1 S1\n1.0\n4.283053 0.007239 6.479462\n1.953348 3.811696 6.479462\n0.011822 0.007239 7.767099\nHg Te S\n2 1 1\ndirect\n0.991160 0.991163 0.991161 Hg\n0.507533 0.507535 0.507534 Hg\n0.377205 0.377206 0.377206 Te\n0.874098 0.874100 0.874099 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Te",
"S"
],
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"density": 7.374175278867237,
"density_atomic": 0.031672438219898416,
"volume": 126.29277140674866,
"volume_molar": 19.01382115954859,
"formula_full": "Hg2 Te1 S1",
"formula_reduced": "Hg2TeS",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-100832",
"created_at": "2022-09-04T14:36:35.771230Z",
"updated_at": "2022-09-04T14:36:35.771263Z",
"structure_string": "Hg2 Te1 Se1\n1.0\n4.044485 0.009094 6.130060\n1.846798 3.598232 6.130060\n0.014852 0.009094 7.344064\nHg Te Se\n2 1 1\ndirect\n0.245117 0.245116 0.245117 Hg\n0.754884 0.754881 0.754885 Hg\n0.000000 0.000000 0.000000 Te\n0.500000 0.499999 0.500001 Se\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.493167932444292,
"density_atomic": 0.03762740222282828,
"volume": 106.3055051292706,
"volume_molar": 16.004667886284242,
"formula_full": "Hg2 Te1 Se1",
"formula_reduced": "Hg2TeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0201925,
"spacegroup": 166
},
{
"id": "jvasp-105489",
"created_at": "2022-09-04T14:37:13.564523Z",
"updated_at": "2022-09-04T14:37:13.564545Z",
"structure_string": "Hg2 Te1 Se1\n1.0\n4.371359 0.003323 6.578300\n1.988854 3.892718 6.578300\n0.005425 0.003323 7.898277\nHg Te Se\n2 1 1\ndirect\n0.004755 0.004755 0.004755 Hg\n0.495569 0.495569 0.495571 Hg\n0.624058 0.624058 0.624060 Te\n0.125616 0.125616 0.125616 Se\n",
"nsites": 4,
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],
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"density": 7.522311823924302,
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"volume": 134.15769459674016,
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"formula_full": "Hg2 Te1 Se1",
"formula_reduced": "Hg2TeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-43004",
"created_at": "2022-09-04T14:37:29.495308Z",
"updated_at": "2022-09-04T14:37:29.495331Z",
"structure_string": "Hg4 W4 O14\n1.0\n0.000000 6.196059 -0.052871\n3.884575 0.000000 0.000000\n0.000000 -3.735558 -14.092529\nHg W O\n4 4 14\ndirect\n0.649753 0.659900 0.562409 Hg\n0.649753 0.340102 0.062409 Hg\n0.350247 0.659900 0.937591 Hg\n0.350247 0.340102 0.437591 Hg\n0.190627 0.992076 0.185581 W\n0.809373 0.992076 0.314419 W\n0.190627 0.007926 0.685581 W\n0.809373 0.007926 0.814419 W\n0.500000 0.960611 0.750000 O\n0.131525 0.033355 0.331328 O\n0.205010 0.969490 0.567593 O\n0.868475 0.033355 0.168672 O\n0.191345 0.474261 0.699060 O\n0.808655 0.525740 0.300940 O\n0.500000 0.039391 0.250000 O\n0.794990 0.030511 0.432407 O\n0.868475 0.966646 0.668672 O\n0.191345 0.525740 0.199060 O\n0.808654 0.474261 0.800940 O\n0.205010 0.030511 0.067593 O\n0.131525 0.966646 0.831328 O\n0.794989 0.969490 0.932407 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"W",
"O"
],
"chemical_system": "Hg-O-W",
"density": 8.605075962042447,
"density_atomic": 0.06471328971552698,
"volume": 339.96108213181185,
"volume_molar": 9.305879497816782,
"formula_full": "Hg4 W4 O14",
"formula_reduced": "Hg2W2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.066688518181818,
"spacegroup": 13
}
]
}