HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=1555",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=1553",
"results": [
{
"id": "jvasp-8109",
"created_at": "2022-09-04T14:37:04.012204Z",
"updated_at": "2022-09-04T14:37:04.012229Z",
"structure_string": "Hg3 S3\n1.0\n2.127307 -3.684604 -0.000000\n2.127307 3.684604 0.000000\n0.000000 0.000000 9.624768\nHg S\n3 3\ndirect\n0.730792 0.730792 0.000000 Hg\n0.000000 0.269209 0.666667 Hg\n0.269209 0.000000 0.333333 Hg\n0.486526 0.486526 0.500000 S\n0.000001 0.513475 0.166667 S\n0.513475 0.000001 0.833333 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"S"
],
"chemical_system": "Hg-S",
"density": 7.681419590048279,
"density_atomic": 0.03976582495444174,
"volume": 150.88332775376801,
"volume_molar": 15.144010634506762,
"formula_full": "Hg3 S3",
"formula_reduced": "HgS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0647373,
"spacegroup": 152
},
{
"id": "jvasp-8198",
"created_at": "2022-09-04T14:37:56.525097Z",
"updated_at": "2022-09-04T14:37:56.525126Z",
"structure_string": "Hg3 S3\n1.0\n2.127000 -3.684073 0.000000\n2.127000 3.684073 -0.000000\n0.000000 0.000000 9.627826\nHg S\n3 3\ndirect\n0.269061 0.269061 0.000000 Hg\n0.000000 0.730939 0.333333 Hg\n0.730939 0.000000 0.666667 Hg\n0.513546 0.513546 0.500000 S\n0.000000 0.486454 0.833333 S\n0.486454 0.000000 0.166667 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"S"
],
"chemical_system": "Hg-S",
"density": 7.681195114693335,
"density_atomic": 0.039764662871370156,
"volume": 150.8877371702777,
"volume_molar": 15.144453203288272,
"formula_full": "Hg3 S3",
"formula_reduced": "HgS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0647473,
"spacegroup": 154
},
{
"id": "jvasp-57455",
"created_at": "2022-09-04T14:38:33.910584Z",
"updated_at": "2022-09-04T14:38:33.910615Z",
"structure_string": "Hg3 S3\n1.0\n1.974400 -3.419762 -0.000000\n1.974400 3.419762 0.000000\n0.000000 0.000000 9.706868\nHg S\n3 3\ndirect\n0.645172 0.645172 0.000000 Hg\n0.354828 0.000000 0.333333 Hg\n0.000000 0.354828 0.666667 Hg\n0.725887 0.725887 0.500000 S\n0.274113 0.000000 0.833333 S\n0.000000 0.274113 0.166667 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"S"
],
"chemical_system": "Hg-S",
"density": 8.841838917030568,
"density_atomic": 0.04577318222604715,
"volume": 131.0811201714027,
"volume_molar": 13.156482610844371,
"formula_full": "Hg3 S3",
"formula_reduced": "HgS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1242323,
"spacegroup": 152
},
{
"id": "jvasp-38351",
"created_at": "2022-09-04T14:37:17.932366Z",
"updated_at": "2022-09-04T14:37:17.932386Z",
"structure_string": "Hg3 Sb1\n1.0\n-2.160603 2.160603 5.679910\n2.160603 -2.160603 5.679910\n2.160603 2.160603 -5.679910\nHg Sb\n3 1\ndirect\n0.749998 0.250000 0.499998 Hg\n0.250000 0.749998 0.499998 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Sb"
],
"chemical_system": "Hg-Sb",
"density": 11.32802621829695,
"density_atomic": 0.03771452099740425,
"volume": 106.05994439847997,
"volume_molar": 15.967697854135498,
"formula_full": "Hg3 Sb1",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-35895",
"created_at": "2022-09-04T14:37:31.740146Z",
"updated_at": "2022-09-04T14:37:31.740174Z",
"structure_string": "Hg3 Se3\n1.0\n2.189933 -3.793076 -0.000000\n2.189933 3.793076 0.000000\n0.000000 0.000000 9.892747\nHg Se\n3 3\ndirect\n0.299125 -0.000000 0.166667 Hg\n-0.000000 0.299125 0.833333 Hg\n0.700873 0.700873 0.500000 Hg\n0.487403 -0.000001 0.666667 Se\n-0.000001 0.487403 0.333333 Se\n0.512597 0.512597 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"Se"
],
"chemical_system": "Hg-Se",
"density": 8.473455990043202,
"density_atomic": 0.03650749040482177,
"volume": 164.34983433447792,
"volume_molar": 16.495630604081786,
"formula_full": "Hg3 Se3",
"formula_reduced": "HgSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 154
},
{
"id": "jvasp-8041",
"created_at": "2022-09-04T14:37:02.468505Z",
"updated_at": "2022-09-04T14:37:02.468525Z",
"structure_string": "Hg3 Te3\n1.0\n2.314230 -4.008364 0.000000\n2.314230 4.008364 -0.000000\n0.000000 -0.000000 10.387849\nHg Te\n3 3\ndirect\n0.328269 0.000000 0.833333 Hg\n0.000000 0.328269 0.166667 Hg\n0.671731 0.671731 0.500000 Hg\n0.468991 0.000000 0.333333 Te\n0.000000 0.468991 0.666667 Te\n0.531009 0.531009 0.000000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 8.483330761019614,
"density_atomic": 0.031133070461716015,
"volume": 192.72111330548435,
"volume_molar": 19.343227862492263,
"formula_full": "Hg3 Te3",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0013549999999999,
"spacegroup": 152
},
{
"id": "jvasp-21213",
"created_at": "2022-09-04T14:36:19.346101Z",
"updated_at": "2022-09-04T14:36:19.346129Z",
"structure_string": "Hg4\n1.0\n3.503973 0.000000 0.000000\n0.000000 6.072665 0.000000\n0.000000 -0.000000 5.521826\nHg\n4\ndirect\n0.000000 0.166188 0.750001 Hg\n0.500000 0.333812 0.250000 Hg\n0.500000 0.666188 0.750001 Hg\n0.000000 0.833813 0.250000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.339543594255959,
"density_atomic": 0.03404373483342375,
"volume": 117.49592163057402,
"volume_molar": 17.68942446963114,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2387046000000001,
"spacegroup": 194
},
{
"id": "jvasp-78875",
"created_at": "2022-09-04T14:36:43.051606Z",
"updated_at": "2022-09-04T14:36:43.051630Z",
"structure_string": "Hg4\n1.0\n-2.605586 2.605586 -4.129272\n2.605586 -2.605586 -4.129272\n-2.605586 -2.605586 4.129272\nHg\n4\ndirect\n0.875000 0.375022 0.000023 Hg\n0.374999 0.874978 -0.000023 Hg\n0.624978 0.625000 0.499978 Hg\n0.125023 0.125000 0.500023 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.881576276144282,
"density_atomic": 0.035671032858240456,
"volume": 112.13580542779125,
"volume_molar": 16.882440113053274,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2398646000000002,
"spacegroup": 139
},
{
"id": "jvasp-100182",
"created_at": "2022-09-04T14:36:41.496188Z",
"updated_at": "2022-09-04T14:36:41.496213Z",
"structure_string": "Hg4\n1.0\n3.496965 0.000000 0.000000\n-1.748482 3.028460 0.000000\n-0.000000 0.000000 11.081738\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666666 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.352652946056686,
"density_atomic": 0.03408309191096681,
"volume": 117.36024450038033,
"volume_molar": 17.668997800232656,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2427746000000001,
"spacegroup": 194
},
{
"id": "jvasp-119222",
"created_at": "2022-09-04T14:38:50.302248Z",
"updated_at": "2022-09-04T14:38:50.302273Z",
"structure_string": "Hg4 As4 O16\n1.0\n9.936800 0.000000 0.000000\n-0.000000 3.867694 2.893039\n-0.000000 -0.656017 8.482150\nHg As O\n4 4 16\ndirect\n0.996197 0.183559 0.756617 Hg\n0.503803 0.183559 0.256617 Hg\n0.003803 0.816440 0.243384 Hg\n0.496197 0.816439 0.743384 Hg\n0.805418 0.511420 -0.040247 As\n0.694582 0.511420 0.459753 As\n0.194582 0.488579 0.040247 As\n0.305418 0.488579 0.540247 As\n0.868021 0.461012 0.457211 O\n0.631979 0.461011 0.957211 O\n0.343627 0.823340 0.322119 O\n0.156373 0.823340 0.822119 O\n0.656373 0.176658 0.677882 O\n0.843627 0.176658 0.177882 O\n0.382017 0.419967 0.739317 O\n0.356776 0.153804 0.527554 O\n0.617983 0.580032 0.260684 O\n0.882017 0.580031 0.760684 O\n0.368021 0.538987 0.042790 O\n0.143224 0.153805 0.027554 O\n0.643224 0.846194 0.472446 O\n0.856776 0.846194 -0.027554 O\n0.117983 0.419967 0.239317 O\n0.131979 0.538986 0.542790 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O",
"density": 6.539303682829474,
"density_atomic": 0.06959565266094926,
"volume": 344.8491260929954,
"volume_molar": 8.653041576229196,
"formula_full": "Hg4 As4 O16",
"formula_reduced": "HgAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7938767249999996,
"spacegroup": 14
},
{
"id": "jvasp-12963",
"created_at": "2022-09-04T14:36:53.202813Z",
"updated_at": "2022-09-04T14:36:53.202833Z",
"structure_string": "Hg4 As6 Br2\n1.0\n6.233987 0.043849 -0.651640\n-0.900097 6.168821 -0.651640\n0.024339 0.028349 8.287390\nHg As Br\n4 6 2\ndirect\n0.843601 0.590747 0.647369 Hg\n0.409253 0.156399 0.852631 Hg\n0.590747 0.843601 0.147369 Hg\n0.156399 0.409253 0.352631 Hg\n0.938552 0.806712 0.010925 As\n0.193288 0.061448 0.489075 As\n0.061448 0.193288 0.989075 As\n0.791617 0.208383 0.750000 As\n0.208383 0.791617 0.250000 As\n0.806712 0.938552 0.510924 As\n0.362989 0.637011 0.750000 Br\n0.637011 0.362989 0.250000 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Hg",
"density": 7.342566792445346,
"density_atomic": 0.0375870618005627,
"volume": 319.2587934559001,
"volume_molar": 16.02184494215998,
"formula_full": "Hg4 As6 Br2",
"formula_reduced": "Hg2As3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6394564258333334,
"spacegroup": 15
},
{
"id": "jvasp-12089",
"created_at": "2022-09-04T14:36:58.885069Z",
"updated_at": "2022-09-04T14:36:58.885092Z",
"structure_string": "Hg4 Br4 O12\n1.0\n4.429891 -0.000000 -1.052941\n-0.605617 8.149164 -2.547927\n-0.035961 -0.081776 9.693804\nHg Br O\n4 4 12\ndirect\n0.900604 0.017889 0.870799 Hg\n0.099395 0.982109 0.129200 Hg\n0.970194 0.517889 0.870799 Hg\n0.029806 0.482110 0.129201 Hg\n0.278326 0.662837 0.647113 Br\n0.631212 0.837161 0.352886 Br\n0.721673 0.337161 0.352886 Br\n0.368787 0.162838 0.647113 Br\n0.686936 0.047371 0.653135 O\n0.033800 0.452628 0.346864 O\n0.340309 0.215609 0.824883 O\n0.122695 0.834186 0.628822 O\n0.493873 0.665813 0.371177 O\n0.877304 0.165813 0.371177 O\n0.506126 0.334186 0.628822 O\n0.484574 0.715609 0.824883 O\n0.659691 0.784390 0.175116 O\n0.515425 0.284390 0.175116 O\n0.966199 0.547371 0.653135 O\n0.313063 0.952628 0.346864 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-O",
"density": 6.257918333119993,
"density_atomic": 0.0573621916740438,
"volume": 348.6617128168402,
"volume_molar": 10.498449561028538,
"formula_full": "Hg4 Br4 O12",
"formula_reduced": "HgBrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.176487841,
"spacegroup": 15
}
]
}