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=nsites&page=848",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=846",
"results": [
{
"id": "jvasp-115081",
"created_at": "2022-09-04T14:38:41.646085Z",
"updated_at": "2022-09-04T14:38:41.646118Z",
"structure_string": "Hf1 Cl3\n1.0\n3.100302 1.285784 0.607615\n-2.094966 -7.380485 -2.148005\n0.545169 -3.135582 -5.515426\nHf Cl\n1 3\ndirect\n0.557724 0.906913 0.168275 Hf\n0.057653 0.406888 0.668264 Cl\n0.384225 0.071842 0.333355 Cl\n0.731161 0.741920 0.003255 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 4.958363906590633,
"density_atomic": 0.04193093940313814,
"volume": 95.3949531524361,
"volume_molar": 14.362045891939397,
"formula_full": "Hf1 Cl3",
"formula_reduced": "HfCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.021861300625,
"spacegroup": 71
},
{
"id": "jvasp-114665",
"created_at": "2022-09-04T14:38:41.654019Z",
"updated_at": "2022-09-04T14:38:41.654055Z",
"structure_string": "H1 C1 I2\n1.0\n4.047459 0.000000 0.000000\n0.000000 4.047459 0.000000\n-0.000000 0.000000 5.477173\nH C I\n1 1 2\ndirect\n0.500000 0.500000 0.659152 H\n0.000000 0.000000 0.994395 C\n0.000000 0.000000 0.393627 I\n0.500000 0.500000 0.962826 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"H",
"C",
"I"
],
"chemical_system": "C-H-I",
"density": 4.938083621303504,
"density_atomic": 0.04457985139679639,
"volume": 89.72663377445554,
"volume_molar": 13.508660462768534,
"formula_full": "H1 C1 I2",
"formula_reduced": "HCI2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3186006375,
"spacegroup": 99
},
{
"id": "jvasp-116071",
"created_at": "2022-09-04T14:38:41.683557Z",
"updated_at": "2022-09-04T14:38:41.683583Z",
"structure_string": "Y1 O1 F2\n1.0\n-1.713461 3.913947 2.180531\n1.713461 -3.913947 2.180531\n1.713461 3.913947 -2.180531\nY O F\n1 1 2\ndirect\n0.501669 0.001669 0.500000 Y\n0.001670 0.501670 0.499999 O\n0.324758 0.501618 0.823140 F\n0.678476 0.501617 0.176860 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"O",
"F"
],
"chemical_system": "F-O-Y",
"density": 4.056730478210521,
"density_atomic": 0.06838306624566788,
"volume": 58.4940134978724,
"volume_molar": 8.806479572538189,
"formula_full": "Y1 O1 F2",
"formula_reduced": "YOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4952448787499999,
"spacegroup": 71
},
{
"id": "jvasp-114715",
"created_at": "2022-09-04T14:38:41.748761Z",
"updated_at": "2022-09-04T14:38:41.748795Z",
"structure_string": "Ca1 Ti1 N2\n1.0\n3.124765 0.000000 -0.000000\n-0.000000 3.124765 0.000000\n-0.000000 0.000000 5.198756\nCa Ti N\n1 1 2\ndirect\n0.499999 0.499999 0.527481 Ca\n0.000000 0.000000 0.067503 Ti\n0.000000 0.000000 0.408965 N\n0.499999 0.499999 0.006051 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"N"
],
"chemical_system": "Ca-N-Ti",
"density": 3.793299677949679,
"density_atomic": 0.07879993036595868,
"volume": 50.76146617672631,
"volume_molar": 7.642317362505622,
"formula_full": "Ca1 Ti1 N2",
"formula_reduced": "CaTiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.058148813333333,
"spacegroup": 99
},
{
"id": "jvasp-116247",
"created_at": "2022-09-04T14:38:41.758431Z",
"updated_at": "2022-09-04T14:38:41.758465Z",
"structure_string": "Li3 As1\n1.0\n4.194171 -0.000000 0.000000\n-2.097085 3.632259 -0.000000\n0.000000 -0.000000 6.088402\nLi As\n3 1\ndirect\n0.333333 0.666667 0.796246 Li\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.203753 Li\n0.666667 0.333333 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"As"
],
"chemical_system": "As-Li",
"density": 1.714103828915736,
"density_atomic": 0.04312545893367472,
"volume": 92.75263612039107,
"volume_molar": 13.964235764451384,
"formula_full": "Li3 As1",
"formula_reduced": "Li3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9591454375,
"spacegroup": 187
},
{
"id": "jvasp-116114",
"created_at": "2022-09-04T14:38:41.802158Z",
"updated_at": "2022-09-04T14:38:41.802181Z",
"structure_string": "Al1 Cr1 O2\n1.0\n1.478818 0.853796 5.916698\n-1.478818 0.853796 5.916698\n-0.000000 -1.707592 5.916698\nAl Cr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500002 0.500002 0.499999 Cr\n0.891669 0.891669 0.891663 O\n0.108335 0.108335 0.108334 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 4.1113115100650885,
"density_atomic": 0.08924019167569956,
"volume": 44.82285307651591,
"volume_molar": 6.748238262289447,
"formula_full": "Al1 Cr1 O2",
"formula_reduced": "AlCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3343967999999995,
"spacegroup": 166
},
{
"id": "jvasp-112020",
"created_at": "2022-09-04T14:38:41.826504Z",
"updated_at": "2022-09-04T14:38:41.826529Z",
"structure_string": "H1 C1 N1 O1\n1.0\n3.295876 0.000000 -0.877171\n0.000000 2.410179 0.000000\n-0.155816 0.000000 4.076745\nH C N O\n1 1 1 1\ndirect\n0.195733 0.000000 0.166954 H\n0.579067 0.500000 0.564964 C\n0.421213 0.000000 0.400488 N\n0.848047 0.500000 0.841633 O\n",
"nsites": 4,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 2.228814707602726,
"density_atomic": 0.1247862127862276,
"volume": 32.05482329087458,
"volume_molar": 4.825966447364329,
"formula_full": "H1 C1 N1 O1",
"formula_reduced": "HCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.8955966875,
"spacegroup": 6
},
{
"id": "jvasp-116366",
"created_at": "2022-09-04T14:38:41.831266Z",
"updated_at": "2022-09-04T14:38:41.831292Z",
"structure_string": "Na1 Pb1 O2\n1.0\n1.756893 1.014342 5.573849\n-1.756893 1.014342 5.573849\n0.000000 -2.028685 5.573849\nNa Pb O\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Na\n0.000000 0.000000 0.000000 Pb\n0.255838 0.255838 0.255839 O\n0.744160 0.744160 0.744164 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Pb",
"O"
],
"chemical_system": "Na-O-Pb",
"density": 7.305106269096087,
"density_atomic": 0.06711563109752045,
"volume": 59.59863499142122,
"volume_molar": 8.972784225555001,
"formula_full": "Na1 Pb1 O2",
"formula_reduced": "NaPbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.761371705,
"spacegroup": 166
},
{
"id": "jvasp-114550",
"created_at": "2022-09-04T14:38:41.841757Z",
"updated_at": "2022-09-04T14:38:41.841784Z",
"structure_string": "Ba1 Zn1 Cl2\n1.0\n4.317101 0.000000 -0.000000\n-0.000000 4.317101 -0.000000\n0.000000 -0.000000 6.205867\nBa Zn Cl\n1 1 2\ndirect\n0.500000 0.500000 0.580542 Ba\n0.000000 0.000000 0.945238 Zn\n0.000000 0.000000 0.401469 Cl\n0.500000 0.500000 0.082750 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cl"
],
"chemical_system": "Ba-Cl-Zn",
"density": 3.9286647584478933,
"density_atomic": 0.03458383169601253,
"volume": 115.66098387129252,
"volume_molar": 17.41316813282533,
"formula_full": "Ba1 Zn1 Cl2",
"formula_reduced": "BaZnCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0202749999999999,
"spacegroup": 99
},
{
"id": "jvasp-116206",
"created_at": "2022-09-04T14:38:41.844667Z",
"updated_at": "2022-09-04T14:38:41.844693Z",
"structure_string": "In2 H2\n1.0\n5.199987 -1.161943 0.572215\n1.679842 -4.630355 -0.514462\n-2.328236 -0.199885 -4.447707\nIn H\n2 2\ndirect\n0.759008 0.985107 0.827764 In\n0.255829 0.854765 0.695045 In\n0.637322 0.371013 0.968917 H\n0.130242 0.712145 0.310682 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"H"
],
"chemical_system": "H-In",
"density": 4.268286341825135,
"density_atomic": 0.04438422198574735,
"volume": 90.12211594661902,
"volume_molar": 13.56820169548951,
"formula_full": "In2 H2",
"formula_reduced": "InH",
"formula_anonymous": "AB",
"energy_above_hull": 0.8208149849999999,
"spacegroup": 5
},
{
"id": "jvasp-114624",
"created_at": "2022-09-04T14:38:41.943846Z",
"updated_at": "2022-09-04T14:38:41.943863Z",
"structure_string": "Ag1 Cl1 O2\n1.0\n3.050325 0.000000 0.000000\n-0.000000 3.050325 0.000000\n-0.000000 -0.000000 6.326664\nAg Cl O\n1 1 2\ndirect\n0.000000 0.000000 0.249243 Ag\n0.500002 0.500002 0.750046 Cl\n0.000000 0.000000 0.750532 O\n0.500002 0.500002 0.250178 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 4.945538200496893,
"density_atomic": 0.06795055256135447,
"volume": 58.86633513963388,
"volume_molar": 8.862533905905238,
"formula_full": "Ag1 Cl1 O2",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.258824581875,
"spacegroup": 123
},
{
"id": "jvasp-116229",
"created_at": "2022-09-04T14:38:41.944334Z",
"updated_at": "2022-09-04T14:38:41.944366Z",
"structure_string": "Na1 La1 Se2\n1.0\n2.182567 1.260106 6.878113\n-2.182567 1.260106 6.878113\n0.000000 -2.520212 6.878113\nNa La Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 La\n0.752633 0.752633 0.752633 Se\n0.247366 0.247366 0.247366 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"La",
"Se"
],
"chemical_system": "La-Na-Se",
"density": 4.6789998445353795,
"density_atomic": 0.03524234273886881,
"volume": 113.49983256329882,
"volume_molar": 17.087799198315427,
"formula_full": "Na1 La1 Se2",
"formula_reduced": "NaLaSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5216576833333334,
"spacegroup": 166
}
]
}