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=1163",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1161",
"results": [
{
"id": "jvasp-12010",
"created_at": "2022-09-04T14:37:33.929428Z",
"updated_at": "2022-09-04T14:37:33.929454Z",
"structure_string": "Mo4 O12\n1.0\n3.711852 0.000000 0.000000\n0.000000 3.922015 0.000000\n0.000000 0.000000 14.075054\nMo O\n4 12\ndirect\n0.250001 0.426195 0.603651 Mo\n0.750000 0.573804 0.396348 Mo\n0.750000 0.926194 0.896348 Mo\n0.250001 0.073805 0.103651 Mo\n0.250001 0.466381 0.722375 O\n0.750000 0.533617 0.277626 O\n0.750000 0.966380 0.777625 O\n0.250001 0.033619 0.222375 O\n0.250001 0.499957 0.434098 O\n0.750000 0.500042 0.565903 O\n0.750000 -0.000042 0.065903 O\n0.250001 0.000042 0.934096 O\n0.250001 0.981493 0.587932 O\n0.750000 0.481494 0.912067 O\n0.750000 0.018506 0.412067 O\n0.250001 0.518505 0.087932 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.6658973980547795,
"density_atomic": 0.0780854308655074,
"volume": 204.90378067527146,
"volume_molar": 7.712246309266579,
"formula_full": "Mo4 O12",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7774091,
"spacegroup": 62
},
{
"id": "jvasp-120102",
"created_at": "2022-09-04T14:38:38.698319Z",
"updated_at": "2022-09-04T14:38:38.698355Z",
"structure_string": "Y1 Cl1 O1\n1.0\n0.000000 2.991177 2.991177\n2.991177 0.000000 2.991177\n2.991177 2.991177 0.000000\nY Cl O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250001 0.250001 0.250001 Cl\n0.750002 0.750002 0.750002 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Cl",
"O"
],
"chemical_system": "Cl-O-Y",
"density": 4.354423933064306,
"density_atomic": 0.05604861957744877,
"volume": 53.52495784226332,
"volume_molar": 10.744494343305853,
"formula_full": "Y1 Cl1 O1",
"formula_reduced": "YClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7325610058333336,
"spacegroup": 216
},
{
"id": "jvasp-120103",
"created_at": "2022-09-04T14:38:52.253977Z",
"updated_at": "2022-09-04T14:38:52.254002Z",
"structure_string": "Y1 Cl2 O1\n1.0\n-1.990119 2.130929 5.592517\n1.990119 -2.130929 5.592517\n1.990119 2.130929 -5.592517\nY Cl O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.162453 0.662454 0.500001 Cl\n0.837548 0.337547 0.500001 Cl\n0.500001 -0.000000 0.500001 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cl",
"O"
],
"chemical_system": "Cl-O-Y",
"density": 3.0773750553362604,
"density_atomic": 0.042164277339367416,
"volume": 94.86703561418163,
"volume_molar": 14.28256604881337,
"formula_full": "Y1 Cl2 O1",
"formula_reduced": "YCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.87892927125,
"spacegroup": 71
},
{
"id": "jvasp-120104",
"created_at": "2022-09-04T14:38:38.752272Z",
"updated_at": "2022-09-04T14:38:38.752289Z",
"structure_string": "Zn1 Cl1 O1\n1.0\n4.136668 0.000000 0.000000\n-2.068334 3.582459 -0.000000\n-0.000000 -0.000000 3.693039\nZn Cl O\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Zn\n0.000000 0.000000 0.000000 Cl\n0.333334 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-O-Zn",
"density": 3.545719638725953,
"density_atomic": 0.05481576320483012,
"volume": 54.72878282821488,
"volume_molar": 10.9861477938327,
"formula_full": "Zn1 Cl1 O1",
"formula_reduced": "ZnClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3196826558333335,
"spacegroup": 187
},
{
"id": "jvasp-120105",
"created_at": "2022-09-04T14:38:52.273268Z",
"updated_at": "2022-09-04T14:38:52.273305Z",
"structure_string": "Zn1 Cl1 O1\n1.0\n2.886846 -0.000000 -0.000000\n-0.000000 2.886846 -0.000000\n0.000000 0.000000 6.828160\nZn Cl O\n1 1 1\ndirect\n0.000000 0.000000 0.573430 Zn\n0.000000 0.000000 0.035547 Cl\n0.000000 0.000000 0.268643 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-O-Zn",
"density": 3.4101168405961726,
"density_atomic": 0.05271938457663567,
"volume": 56.90506488441727,
"volume_molar": 11.42301035636313,
"formula_full": "Zn1 Cl1 O1",
"formula_reduced": "ZnClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3478493225000001,
"spacegroup": 99
},
{
"id": "jvasp-120106",
"created_at": "2022-09-04T14:38:38.857535Z",
"updated_at": "2022-09-04T14:38:38.857565Z",
"structure_string": "Zn1 Cl1 O3\n1.0\n2.774032 1.601588 2.852823\n-2.774032 1.601588 2.852823\n0.000000 -3.203176 2.852823\nZn Cl O\n1 1 3\ndirect\n-0.065031 -0.065031 -0.065031 Zn\n0.506192 0.506192 0.506192 Cl\n0.143049 0.587894 0.587895 O\n0.587895 0.587895 0.143048 O\n0.587894 0.143049 0.587895 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-O-Zn",
"density": 3.2504189798456284,
"density_atomic": 0.06574786488386586,
"volume": 76.04809690522697,
"volume_molar": 9.159446881867943,
"formula_full": "Zn1 Cl1 O3",
"formula_reduced": "ZnClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2388429934999998,
"spacegroup": 160
},
{
"id": "jvasp-120107",
"created_at": "2022-09-04T14:38:52.062164Z",
"updated_at": "2022-09-04T14:38:52.062188Z",
"structure_string": "Zn1 Cl2 O1\n1.0\n-1.779072 1.920986 5.506978\n1.779072 -1.920986 5.506978\n1.779072 1.920986 -5.506978\nZn Cl O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.157038 0.657038 0.500000 Cl\n0.842962 0.342962 0.500000 Cl\n0.500000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-O-Zn",
"density": 3.3596884344166176,
"density_atomic": 0.0531335623389327,
"volume": 75.28198419079214,
"volume_molar": 11.333967637226124,
"formula_full": "Zn1 Cl2 O1",
"formula_reduced": "ZnCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1819480087499999,
"spacegroup": 71
},
{
"id": "jvasp-120108",
"created_at": "2022-09-04T14:38:52.926483Z",
"updated_at": "2022-09-04T14:38:52.926509Z",
"structure_string": "Zn2 Cl2 O2\n1.0\n4.411451 -0.000000 0.000000\n0.000000 4.411451 -0.000000\n-0.000000 -0.000000 5.294067\nZn Cl O\n2 2 2\ndirect\n0.000000 0.499999 0.223728 Zn\n0.499999 0.000000 0.776272 Zn\n0.499999 0.499999 0.000000 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.499999 0.570547 O\n0.499999 0.000000 0.429454 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-O-Zn",
"density": 3.7670191269440534,
"density_atomic": 0.0582369869843482,
"volume": 103.02730808536786,
"volume_molar": 10.340749190232858,
"formula_full": "Zn2 Cl2 O2",
"formula_reduced": "ZnClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1807659891666668,
"spacegroup": 129
},
{
"id": "jvasp-120109",
"created_at": "2022-09-04T14:38:38.899140Z",
"updated_at": "2022-09-04T14:38:38.899162Z",
"structure_string": "Zn1 Cl4 O1\n1.0\n-3.953864 3.953864 1.886100\n3.953864 -3.953864 1.886100\n3.953864 3.953864 -1.886100\nZn Cl O\n1 4 1\ndirect\n0.060189 0.060189 0.000000 Zn\n0.181221 0.755974 0.817090 Cl\n-0.061116 0.364129 0.182908 Cl\n0.364129 0.181221 0.425246 Cl\n0.755974 -0.061116 0.574752 Cl\n0.560195 0.560195 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Cl",
"O"
],
"chemical_system": "Cl-O-Zn",
"density": 3.1427860680531006,
"density_atomic": 0.050872501134098594,
"volume": 117.94191097827401,
"volume_molar": 11.837713156909256,
"formula_full": "Zn1 Cl4 O1",
"formula_reduced": "ZnCl4O",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2315133616666668,
"spacegroup": 87
},
{
"id": "jvasp-120113",
"created_at": "2022-09-04T14:38:53.051870Z",
"updated_at": "2022-09-04T14:38:53.051896Z",
"structure_string": "Co1 N1 O1\n1.0\n2.349909 -0.000000 0.000000\n-0.000000 2.349909 -0.000000\n0.000000 -0.000000 6.302251\nCo N O\n1 1 1\ndirect\n0.000000 0.000000 0.001444 Co\n0.000000 0.000000 0.263013 N\n0.000000 0.000000 0.727607 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"N",
"O"
],
"chemical_system": "Co-N-O",
"density": 4.243703129865304,
"density_atomic": 0.08620321625171336,
"volume": 34.801485726936235,
"volume_molar": 6.985981523491365,
"formula_full": "Co1 N1 O1",
"formula_reduced": "CoNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.59774255,
"spacegroup": 99
},
{
"id": "jvasp-120116",
"created_at": "2022-09-04T14:38:52.946085Z",
"updated_at": "2022-09-04T14:38:52.946120Z",
"structure_string": "Na2 Al2 As2\n1.0\n4.564088 0.000000 0.000000\n0.000000 4.564088 0.000000\n0.000000 0.000000 6.771046\nNa Al As\n2 2 2\ndirect\n0.000000 0.500000 0.641673 Na\n0.500000 0.000000 0.358328 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.199734 As\n0.500000 0.000000 0.800267 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Al",
"As"
],
"chemical_system": "Al-As-Na",
"density": 2.940716019686682,
"density_atomic": 0.04253901869802503,
"volume": 141.0469771903451,
"volume_molar": 14.156745840212793,
"formula_full": "Na2 Al2 As2",
"formula_reduced": "NaAlAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8748478500000001,
"spacegroup": 129
},
{
"id": "jvasp-120117",
"created_at": "2022-09-04T14:38:52.082404Z",
"updated_at": "2022-09-04T14:38:52.082439Z",
"structure_string": "Al1 As1 O1\n1.0\n4.254414 -0.000000 0.000000\n-2.127207 3.684431 -0.000000\n-0.000000 0.000000 2.968234\nAl As O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 As\n0.666666 0.333334 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"As",
"O"
],
"chemical_system": "Al-As-O",
"density": 4.207885766643501,
"density_atomic": 0.06447820555447684,
"volume": 46.527349422981956,
"volume_molar": 9.339808247163404,
"formula_full": "Al1 As1 O1",
"formula_reduced": "AlAsO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8965760166666668,
"spacegroup": 187
}
]
}