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=energy_above_hull&page=347",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=345",
"results": [
{
"id": "jvasp-10203",
"created_at": "2022-09-04T14:38:13.615446Z",
"updated_at": "2022-09-04T14:38:13.615462Z",
"structure_string": "Na4 Sn2 F12\n1.0\n5.087726 0.000000 0.000000\n-0.000000 5.087726 0.000000\n0.000000 0.000000 10.168530\nNa Sn F\n4 2 12\ndirect\n0.000000 0.000000 0.336067 Na\n0.500000 0.500000 0.836067 Na\n0.000000 0.000000 0.663933 Na\n0.500000 0.500000 0.163933 Na\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.812773 0.187228 0.853802 F\n0.812773 0.187228 0.146198 F\n0.187228 0.812773 0.146198 F\n0.312773 0.312773 0.646198 F\n0.312773 0.312773 0.353802 F\n0.221354 0.778647 0.500000 F\n0.278647 0.278647 0.000000 F\n0.187228 0.812773 0.853802 F\n0.778647 0.221354 0.500000 F\n0.721354 0.721354 0.000000 F\n0.687228 0.687228 0.353802 F\n0.687228 0.687228 0.646198 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Sn",
"F"
],
"chemical_system": "F-Na-Sn",
"density": 3.5162457990782108,
"density_atomic": 0.06838595281016044,
"volume": 263.21195012034184,
"volume_molar": 8.806107851882208,
"formula_full": "Na4 Sn2 F12",
"formula_reduced": "Na2SnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-76910",
"created_at": "2022-09-04T14:38:08.471622Z",
"updated_at": "2022-09-04T14:38:08.471646Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-11.525511 0.000000 -6.654257\n-7.720567 0.352442 0.063900\n-6.581502 3.574205 -1.909018\nSr Cd Hg\n2 1 1\ndirect\n0.742233 -0.000001 0.000000 Sr\n0.257767 -0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 -0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Sr",
"density": 4.540066624687703,
"density_atomic": 0.022399528333831756,
"volume": 178.57518874442047,
"volume_molar": 26.88512307156169,
"formula_full": "Sr2 Cd1 Hg1",
"formula_reduced": "Sr2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-109257",
"created_at": "2022-09-04T14:38:18.946327Z",
"updated_at": "2022-09-04T14:38:18.946347Z",
"structure_string": "Rb3 As1 I6\n1.0\n7.618055 -0.000000 4.398286\n2.539352 7.182371 4.398286\n-0.000000 -0.000000 8.796573\nRb As I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.769564 0.230436 0.230436 I\n0.230436 0.230436 0.769564 I\n0.230436 0.769564 0.769564 I\n0.230436 0.769564 0.230437 I\n0.769564 0.230436 0.769564 I\n0.769564 0.769564 0.230437 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"As",
"I"
],
"chemical_system": "As-I-Rb",
"density": 3.7700333020354875,
"density_atomic": 0.020776603440103358,
"volume": 481.3106256192881,
"volume_molar": 28.98520336763015,
"formula_full": "Rb3 As1 I6",
"formula_reduced": "Rb3AsI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109572",
"created_at": "2022-09-04T14:38:13.622969Z",
"updated_at": "2022-09-04T14:38:13.622991Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n4.265186 -0.000000 2.462506\n1.421729 4.021256 2.462506\n-0.000000 -0.000000 4.925012\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750001 0.750000 Cd\n0.500001 0.500001 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Na",
"density": 6.992001541525619,
"density_atomic": 0.0473536000095726,
"volume": 84.47087442541631,
"volume_molar": 12.717387397753528,
"formula_full": "Na1 Cd2 Ag1",
"formula_reduced": "NaCd2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-17808",
"created_at": "2022-09-04T14:38:13.636422Z",
"updated_at": "2022-09-04T14:38:13.636443Z",
"structure_string": "La1 In3\n1.0\n4.786271 -0.000000 -0.000000\n0.000000 4.786271 -0.000000\n0.000000 0.000000 4.786271\nLa In\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"In"
],
"chemical_system": "In-La",
"density": 7.320276317912597,
"density_atomic": 0.03648111779318077,
"volume": 109.6457631226338,
"volume_molar": 16.50755548155295,
"formula_full": "La1 In3",
"formula_reduced": "LaIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-112289",
"created_at": "2022-09-04T14:38:26.262605Z",
"updated_at": "2022-09-04T14:38:26.262631Z",
"structure_string": "H16\n1.0\n4.366008 -0.000000 0.000000\n0.000000 4.668352 0.000000\n0.000000 -0.000000 9.437858\nH\n16\ndirect\n0.443098 0.427568 0.750000 H\n0.056902 -0.072431 0.750000 H\n0.556902 0.572431 0.250000 H\n0.943098 0.072431 0.250000 H\n0.557569 0.546058 0.750000 H\n-0.057569 0.046058 0.750000 H\n0.442431 0.453941 0.250000 H\n0.057569 0.953941 0.250000 H\n0.059897 0.443040 -0.000702 H\n0.440103 0.943040 0.500702 H\n0.940103 0.556959 0.499298 H\n0.559897 0.056960 0.000702 H\n0.940103 0.556959 0.000702 H\n0.559897 0.056960 0.499298 H\n0.059897 0.443040 0.500702 H\n0.440103 0.943040 -0.000702 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1392137716331009,
"density_atomic": 0.08317607484520403,
"volume": 192.363008590836,
"volume_molar": 7.240231967194398,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-20465",
"created_at": "2022-09-04T14:38:13.667349Z",
"updated_at": "2022-09-04T14:38:13.667374Z",
"structure_string": "Sr1 Ga4\n1.0\n4.200398 0.000000 -1.608315\n-0.615817 4.155010 -1.608315\n-0.029057 -0.033681 6.213312\nSr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.618313 0.618313 0.236626 Ga\n0.249999 0.750000 0.500000 Ga\n0.750000 0.250000 0.500001 Ga\n0.381686 0.381687 0.763375 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sr",
"Ga"
],
"chemical_system": "Ga-Sr",
"density": 5.636090828260874,
"density_atomic": 0.04630316649340454,
"volume": 107.98397558214953,
"volume_molar": 13.005894015602147,
"formula_full": "Sr1 Ga4",
"formula_reduced": "SrGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-25843",
"created_at": "2022-09-04T14:38:29.971341Z",
"updated_at": "2022-09-04T14:38:29.971360Z",
"structure_string": "K1 Rb2 Cr1 F6\n1.0\n5.408698 -0.000000 3.122713\n1.802900 5.099369 3.122713\n0.000000 -0.000000 6.245427\nK Rb Cr F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Cr\n0.217920 0.782080 0.782079 F\n0.217920 0.782080 0.217920 F\n0.782080 0.217920 0.782079 F\n0.217920 0.217920 0.782080 F\n0.782080 0.217920 0.217920 F\n0.782080 0.782080 0.217920 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Cr",
"F"
],
"chemical_system": "Cr-F-K-Rb",
"density": 3.6248431408524904,
"density_atomic": 0.058053537840101276,
"volume": 172.25479052703594,
"volume_molar": 10.37342595138125,
"formula_full": "K1 Rb2 Cr1 F6",
"formula_reduced": "KRb2CrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109230",
"created_at": "2022-09-04T14:38:10.328855Z",
"updated_at": "2022-09-04T14:38:10.328876Z",
"structure_string": "K2 Li1 Bi1 Br6\n1.0\n6.741386 -0.000000 3.892141\n2.247129 6.355839 3.892141\n-0.000000 -0.000000 7.784282\nK Li Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.741791 0.258209 0.258209 Br\n0.258209 0.258209 0.741791 Br\n0.258209 0.741791 0.741790 Br\n0.258209 0.741791 0.258209 Br\n0.741791 0.258209 0.741790 Br\n0.741791 0.741791 0.258209 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-K-Li",
"density": 3.8511670168928003,
"density_atomic": 0.029981914199891532,
"volume": 333.5344078876784,
"volume_molar": 20.08591152602854,
"formula_full": "K2 Li1 Bi1 Br6",
"formula_reduced": "K2LiBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109553",
"created_at": "2022-09-04T14:38:17.151657Z",
"updated_at": "2022-09-04T14:38:17.151681Z",
"structure_string": "Li1 Cu3\n1.0\n3.616733 0.000000 0.000000\n0.000000 3.616733 0.000000\n0.000000 0.000000 3.616733\nLi Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cu"
],
"chemical_system": "Cu-Li",
"density": 6.934905287074209,
"density_atomic": 0.08454942237881857,
"volume": 47.30960765264891,
"volume_molar": 7.122627914615622,
"formula_full": "Li1 Cu3",
"formula_reduced": "LiCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-22446",
"created_at": "2022-09-04T14:38:17.021137Z",
"updated_at": "2022-09-04T14:38:17.021162Z",
"structure_string": "Rb1 As1 F6\n1.0\n4.938628 -0.015977 -0.601412\n-0.677176 4.892008 -0.601412\n-0.013963 -0.015977 4.975094\nRb As F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.197416 0.295720 0.923052 F\n0.295720 0.923052 0.197416 F\n0.076947 0.802584 0.704280 F\n0.704280 0.076947 0.802584 F\n0.802584 0.704280 0.076948 F\n0.923053 0.197415 0.295720 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"As",
"F"
],
"chemical_system": "As-F-Rb",
"density": 3.795292098075719,
"density_atomic": 0.06663983762207006,
"volume": 120.04831172263431,
"volume_molar": 9.036847889925774,
"formula_full": "Rb1 As1 F6",
"formula_reduced": "RbAsF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-32666",
"created_at": "2022-09-04T14:38:05.820444Z",
"updated_at": "2022-09-04T14:38:05.820475Z",
"structure_string": "Xe4 F12\n1.0\n6.260770 0.016802 0.000000\n-0.285055 6.472585 0.000000\n0.000000 0.000000 7.343792\nXe F\n4 12\ndirect\n0.500000 -0.000000 0.500000 Xe\n0.000000 0.000000 0.000000 Xe\n-0.000000 0.500000 0.500000 Xe\n0.500000 0.499999 0.000000 Xe\n0.830135 0.819428 0.191059 F\n0.169865 0.180570 0.808941 F\n0.533533 0.209129 0.102843 F\n0.691234 0.491370 0.405911 F\n0.808766 0.508629 0.905911 F\n0.191234 0.491370 0.094089 F\n0.308766 0.508629 0.594089 F\n0.033533 0.209129 0.397157 F\n0.669865 0.180570 0.691058 F\n0.466467 0.790870 0.897156 F\n0.330135 0.819429 0.308941 F\n0.966467 0.790870 0.602843 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Xe",
"F"
],
"chemical_system": "F-Xe",
"density": 4.201989939541606,
"density_atomic": 0.05375795956746577,
"volume": 297.6303440222678,
"volume_molar": 11.20232391343326,
"formula_full": "Xe4 F12",
"formula_reduced": "XeF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}