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=-id&page=583",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=581",
"results": [
{
"id": "jvasp-8561",
"created_at": "2022-09-04T14:37:06.682425Z",
"updated_at": "2022-09-04T14:37:06.682455Z",
"structure_string": "Ag2 I2\n1.0\n2.313621 -4.007309 -0.000000\n2.313621 4.007309 0.000000\n0.000000 -0.000000 7.616088\nAg I\n2 2\ndirect\n0.666667 0.333333 0.996360 Ag\n0.333333 0.666667 0.496360 Ag\n0.666667 0.333333 0.623740 I\n0.333333 0.666667 0.123740 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.521023983460774,
"density_atomic": 0.028323896115528796,
"volume": 141.2235090710903,
"volume_molar": 21.26169625618106,
"formula_full": "Ag2 I2",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy_above_hull": 0.002375,
"spacegroup": 186
},
{
"id": "jvasp-85609",
"created_at": "2022-09-04T14:36:02.425060Z",
"updated_at": "2022-09-04T14:36:02.425088Z",
"structure_string": "Eu1 Cu1\n1.0\n3.509191 -0.000016 0.000021\n-0.000016 3.509137 0.000013\n0.000021 0.000013 3.509174\nEu Cu\n1 1\ndirect\n0.499999 0.499998 0.499999 Eu\n-0.000000 0.000001 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"Cu"
],
"chemical_system": "Cu-Eu",
"density": 8.28141008307622,
"density_atomic": 0.04628260148373898,
"volume": 43.21278268471326,
"volume_molar": 13.011672997931697,
"formula_full": "Eu1 Cu1",
"formula_reduced": "EuCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.2280602249999999,
"spacegroup": 221
},
{
"id": "jvasp-85604",
"created_at": "2022-09-04T14:35:50.976069Z",
"updated_at": "2022-09-04T14:35:50.976102Z",
"structure_string": "Ce6 Mn2 Bi10\n1.0\n9.418692 -0.000000 0.000000\n-4.709346 8.156827 -0.000000\n0.000000 0.000000 6.472735\nCe Mn Bi\n6 2 10\ndirect\n0.615974 0.000000 0.250000 Ce\n0.384026 0.000000 0.749999 Ce\n0.384026 0.384026 0.250000 Ce\n-0.000000 0.615974 0.250000 Ce\n-0.000000 0.384026 0.749999 Ce\n0.615974 0.615974 0.749999 Ce\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.756093 0.749999 Bi\n0.666667 0.333333 0.000000 Bi\n0.756093 0.000000 0.749999 Bi\n0.243907 0.000000 0.250000 Bi\n0.243907 0.243907 0.749999 Bi\n0.333333 0.666667 0.500000 Bi\n0.756093 0.756093 0.250000 Bi\n0.333333 0.666667 0.000000 Bi\n-0.000000 0.243907 0.250000 Bi\n0.666667 0.333333 0.500000 Bi\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Bi"
],
"chemical_system": "Bi-Ce-Mn",
"density": 10.152587295171871,
"density_atomic": 0.03619702114665513,
"volume": 497.2784894942476,
"volume_molar": 16.637117003636337,
"formula_full": "Ce6 Mn2 Bi10",
"formula_reduced": "Ce3MnBi5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.9625716934865904,
"spacegroup": 193
},
{
"id": "jvasp-85602",
"created_at": "2022-09-04T14:35:46.376006Z",
"updated_at": "2022-09-04T14:35:46.376034Z",
"structure_string": "Ba2 In8 Ir2\n1.0\n4.448110 0.000000 0.000000\n0.000000 8.080932 -0.000000\n0.000000 0.000000 8.722046\nBa In Ir\n2 8 2\ndirect\n0.000000 0.607531 0.250000 Ba\n0.000000 0.392469 0.750000 Ba\n0.500000 0.942974 0.250000 In\n0.500000 0.057026 0.750000 In\n0.500000 0.700107 0.568082 In\n0.500000 0.299893 0.431919 In\n0.000000 0.000000 0.000000 In\n0.500000 0.700107 0.931919 In\n0.500000 0.299893 0.068081 In\n0.000000 0.000000 0.500000 In\n0.000000 0.815008 0.750000 Ir\n0.000000 0.184992 0.250000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"In",
"Ir"
],
"chemical_system": "Ba-In-Ir",
"density": 8.356019802000167,
"density_atomic": 0.038275943280853014,
"volume": 313.51284831699564,
"volume_molar": 15.73348752194564,
"formula_full": "Ba2 In8 Ir2",
"formula_reduced": "BaIn4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3839328249999998,
"spacegroup": 51
},
{
"id": "jvasp-85601",
"created_at": "2022-09-04T14:36:21.287133Z",
"updated_at": "2022-09-04T14:36:21.287159Z",
"structure_string": "Eu1 As2 Rh2\n1.0\n3.915544 0.000065 -1.324748\n-0.446671 3.890862 -1.321802\n-0.129508 -0.150232 6.063177\nEu As Rh\n1 2 2\ndirect\n0.000801 0.001788 0.001007 Eu\n0.621216 0.622107 0.241661 As\n0.380388 0.381343 0.760303 As\n0.250787 0.751705 0.500955 Rh\n0.750820 0.251762 0.501016 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"As",
"Rh"
],
"chemical_system": "As-Eu-Rh",
"density": 9.279399741099542,
"density_atomic": 0.05504319134786792,
"volume": 90.83775627035247,
"volume_molar": 10.940755091652704,
"formula_full": "Eu1 As2 Rh2",
"formula_reduced": "Eu(AsRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.3855959,
"spacegroup": 139
},
{
"id": "jvasp-85600",
"created_at": "2022-09-04T14:36:17.250828Z",
"updated_at": "2022-09-04T14:36:17.250854Z",
"structure_string": "Al4 O6\n1.0\n2.859638 -0.032401 0.058922\n0.045655 4.891539 0.491063\n-0.178072 0.677998 9.101188\nAl O\n4 6\ndirect\n0.692934 0.837052 0.948415 Al\n0.193277 0.085044 0.409301 Al\n0.693342 0.634289 0.229246 Al\n0.193005 0.386293 0.768357 Al\n0.693207 0.119391 0.545826 O\n0.693333 0.904906 0.341533 O\n0.192956 0.047297 0.880681 O\n0.692955 0.566439 0.836123 O\n0.193325 0.424045 0.296982 O\n0.693079 0.351948 0.631834 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 2.6784356004761776,
"density_atomic": 0.07909824519262114,
"volume": 126.42505501415187,
"volume_molar": 7.613494768859663,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.74152922,
"spacegroup": 10
},
{
"id": "jvasp-85599",
"created_at": "2022-09-04T14:36:08.985135Z",
"updated_at": "2022-09-04T14:36:08.985154Z",
"structure_string": "La3 C3 O9 F3\n1.0\n7.262620 -0.000000 0.000000\n-3.631310 6.289614 -0.000000\n-0.000000 -0.000000 4.943116\nLa C O F\n3 3 9 3\ndirect\n0.673652 0.673652 0.000000 La\n0.326348 0.000000 0.000000 La\n-0.000000 0.326348 0.000000 La\n0.602683 0.000000 0.500000 C\n-0.000000 0.602683 0.500000 C\n0.397317 0.397317 0.500000 C\n-0.000000 0.423033 0.500000 O\n0.576966 0.576966 0.500000 O\n0.313003 0.313003 0.270712 O\n0.686996 0.000000 0.729288 O\n0.686996 0.000000 0.270712 O\n0.423033 0.000000 0.500000 O\n0.313003 0.313003 0.729288 O\n-0.000000 0.686996 0.270712 O\n-0.000000 0.686996 0.729288 O\n0.666667 0.333333 0.000000 F\n0.000000 0.000000 0.000000 F\n0.333333 0.666667 0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"La",
"C",
"O",
"F"
],
"chemical_system": "C-F-La-O",
"density": 4.807673025527016,
"density_atomic": 0.0797176318008993,
"volume": 225.79697355983097,
"volume_molar": 7.554339766440557,
"formula_full": "La3 C3 O9 F3",
"formula_reduced": "LaCO3F",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.295069297083333,
"spacegroup": 189
},
{
"id": "jvasp-85597",
"created_at": "2022-09-04T14:36:02.462663Z",
"updated_at": "2022-09-04T14:36:02.462682Z",
"structure_string": "Mn1 Tl2 Ge1 Te4\n1.0\n6.737600 -0.045230 -1.758793\n-4.029588 5.399973 -1.758793\n0.022874 0.045230 6.963338\nMn Tl Ge Te\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 Mn\n-0.000001 0.500000 0.500000 Tl\n0.500000 -0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Ge\n0.411864 0.411864 0.343307 Te\n0.068558 0.068558 0.656693 Te\n0.588135 0.931441 0.000000 Te\n0.931441 0.588135 0.000000 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"Tl",
"Ge",
"Te"
],
"chemical_system": "Ge-Mn-Te-Tl",
"density": 6.866057542087342,
"density_atomic": 0.031601491497669866,
"volume": 253.152608337802,
"volume_molar": 19.056508014642414,
"formula_full": "Mn1 Tl2 Ge1 Te4",
"formula_reduced": "MnTl2GeTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.056978682255747,
"spacegroup": 121
},
{
"id": "jvasp-85595",
"created_at": "2022-09-04T14:35:56.245484Z",
"updated_at": "2022-09-04T14:35:56.245507Z",
"structure_string": "Ba2 Nd2 Fe4 O10\n1.0\n3.948146 0.000000 0.000000\n0.000000 7.553679 0.000000\n0.000000 0.000000 7.896314\nBa Nd Fe O\n2 2 4 10\ndirect\n0.000000 0.999999 0.003429 Ba\n0.000000 0.000001 0.503428 Ba\n0.000000 0.500001 0.003419 Nd\n0.000000 0.499999 0.503418 Nd\n0.500000 0.266269 0.253422 Fe\n0.500000 0.266265 0.753418 Fe\n0.500000 0.733735 0.253418 Fe\n0.500000 0.733731 0.753421 Fe\n0.500000 0.702323 0.503417 O\n0.500000 0.702314 0.003426 O\n0.000000 0.297679 0.253420 O\n0.500000 0.000003 0.253429 O\n0.000000 0.702321 0.753420 O\n0.000000 0.702331 0.253420 O\n0.500000 0.297677 0.003417 O\n0.500000 -0.000003 0.753428 O\n0.000000 0.297669 0.753420 O\n0.500000 0.297686 0.503426 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Nd-O",
"density": 6.674197939114442,
"density_atomic": 0.07643572087201222,
"volume": 235.4919898006862,
"volume_molar": 7.878699502401205,
"formula_full": "Ba2 Nd2 Fe4 O10",
"formula_reduced": "BaNdFe2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.406302885555556,
"spacegroup": 123
},
{
"id": "jvasp-8559",
"created_at": "2022-09-04T14:37:09.920262Z",
"updated_at": "2022-09-04T14:37:09.920287Z",
"structure_string": "Tl1 Br1\n1.0\n3.985566 -0.000000 -0.000000\n0.000000 3.985566 -0.000000\n-0.000000 0.000000 3.985566\nTl Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Br"
],
"chemical_system": "Br-Tl",
"density": 7.456526064597414,
"density_atomic": 0.03159075312694759,
"volume": 63.309665077087296,
"volume_molar": 19.062985728133796,
"formula_full": "Tl1 Br1",
"formula_reduced": "TlBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-85587",
"created_at": "2022-09-04T14:35:52.446530Z",
"updated_at": "2022-09-04T14:35:52.446549Z",
"structure_string": "Cr6 Ge2 N2\n1.0\n4.003805 -0.000056 -0.000044\n0.000092 5.289196 0.000070\n-0.000064 0.000035 5.289158\nCr Ge N\n6 2 2\ndirect\n0.915708 0.704912 0.795082 Cr\n0.915710 0.295086 0.204920 Cr\n0.499990 0.000000 0.000001 Cr\n0.084298 0.795082 0.295087 Cr\n0.084303 0.204915 0.704916 Cr\n0.500003 0.500000 0.499998 Cr\n0.439042 0.500006 0.000003 Ge\n0.560957 -0.000004 0.499999 Ge\n0.000006 0.500003 0.500000 N\n-0.000009 0.000002 -0.000003 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Ge",
"N"
],
"chemical_system": "Cr-Ge-N",
"density": 7.194215153955081,
"density_atomic": 0.08927932147013957,
"volume": 112.00801972206528,
"volume_molar": 6.745280610151333,
"formula_full": "Cr6 Ge2 N2",
"formula_reduced": "Cr3GeN",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.26788228,
"spacegroup": 113
},
{
"id": "jvasp-85573",
"created_at": "2022-09-04T14:35:46.285060Z",
"updated_at": "2022-09-04T14:35:46.285077Z",
"structure_string": "V4 O8\n1.0\n4.807336 1.016650 0.376056\n1.560643 4.690353 -0.164651\n1.390302 -0.562025 7.336824\nV O\n4 8\ndirect\n0.137911 0.724036 0.000699 V\n0.862089 0.275964 -0.000697 V\n0.319319 0.082985 0.249521 V\n0.680681 0.917013 0.750480 V\n0.826153 0.839380 0.525589 O\n0.173847 0.160619 0.474411 O\n0.285023 0.940470 0.830057 O\n0.714978 0.059529 0.169944 O\n0.587634 0.310502 0.847098 O\n0.412367 0.689496 0.152903 O\n0.947966 0.589797 0.848918 O\n0.052034 0.410202 0.151082 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.6645974114949205,
"density_atomic": 0.07982387855498664,
"volume": 150.33095631570703,
"volume_molar": 7.544284829321656,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9254870666666672,
"spacegroup": 2
}
]
}