HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=created_at&page=5",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=created_at&page=3",
"results": [
{
"id": "oqmd-17675",
"created_at": "2022-09-04T14:48:47.405922Z",
"updated_at": "2022-09-04T14:48:47.405976Z",
"structure_string": "Mn1 Rh2 Pb1\n1.0\n3.198124 -3.198124 0.000000\n-3.198124 0.000000 -3.198124\n3.198124 3.198124 0.000000\nMn Pb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.000000 0.499999 Pb\n0.749999 0.499999 0.250000 Rh\n0.250000 0.499999 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"Rh"
],
"chemical_system": "Mn-Pb-Rh",
"density": 11.877684126811587,
"density_atomic": 0.06114262781683505,
"volume": 65.4208061188145,
"volume_molar": 9.849332577004255,
"formula_full": "Mn1 Rh2 Pb1",
"formula_reduced": "MnRh2Pb",
"formula_anonymous": "ABC2",
"formation_energy": -0.116657845948276,
"spacegroup": 225
},
{
"id": "oqmd-8533",
"created_at": "2022-09-04T14:48:47.410421Z",
"updated_at": "2022-09-04T14:48:47.410457Z",
"structure_string": "Rb1\n1.0\n2.818906 2.818906 2.818906\n2.818906 -2.818906 -2.818906\n-2.818906 2.818906 -2.818906\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5839805670087055,
"density_atomic": 0.011160874550330645,
"volume": 89.5987133884929,
"volume_molar": 53.95760639404008,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"formation_energy": 0.00072037,
"spacegroup": 229
},
{
"id": "oqmd-7503",
"created_at": "2022-09-04T14:48:47.413597Z",
"updated_at": "2022-09-04T14:48:47.413624Z",
"structure_string": "V1\n1.0\n1.890584 -1.890584 0.000000\n-1.890584 0.000000 -1.890584\n1.890584 1.890584 0.000000\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.258970378952707,
"density_atomic": 0.0739915405862596,
"volume": 13.515058506373393,
"volume_molar": 8.138958470501592,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.25849391,
"spacegroup": 225
},
{
"id": "oqmd-7401",
"created_at": "2022-09-04T14:48:47.424573Z",
"updated_at": "2022-09-04T14:48:47.424609Z",
"structure_string": "Tc4 P6\n1.0\n0.000000 3.107540 0.000000\n6.200502 -1.553770 -0.017381\n-1.193231 -1.553770 -7.498748\nP Tc\n6 4\ndirect\n0.930072 0.819658 0.040486 P\n0.733497 0.145137 0.321857 P\n0.469319 0.567179 0.371458 P\n0.530681 0.432821 0.628542 P\n0.266502 0.854863 0.678141 P\n0.069928 0.180342 0.959514 P\n0.779120 0.413859 0.144382 Tc\n0.113667 0.863793 0.363542 Tc\n0.886333 0.136207 0.636459 Tc\n0.220880 0.586141 0.855618 Tc\n",
"nsites": 10,
"nelements": 2,
"elements": [
"P",
"Tc"
],
"chemical_system": "P-Tc",
"density": 6.637929260429954,
"density_atomic": 0.06917895342443932,
"volume": 144.5526349415288,
"volume_molar": 8.705163148467808,
"formula_full": "Tc4 P6",
"formula_reduced": "Tc2P3",
"formula_anonymous": "A2B3",
"formation_energy": -0.687520594375962,
"spacegroup": 12
},
{
"id": "oqmd-13534",
"created_at": "2022-09-04T14:48:47.433030Z",
"updated_at": "2022-09-04T14:48:47.433071Z",
"structure_string": "Li12 B4 S12\n1.0\n8.160391 0.000000 0.000000\n0.000000 10.096315 0.000000\n0.000000 0.000000 6.173408\nB Li S\n4 12 12\ndirect\n0.881906 0.250000 0.118505 B\n0.381906 0.250000 0.381494 B\n0.618094 0.750000 0.618506 B\n0.118094 0.750000 0.881495 B\n0.494079 0.750000 0.049943 Li\n0.170739 0.508234 0.101432 Li\n0.170739 0.991766 0.101432 Li\n0.670739 0.508234 0.398569 Li\n0.670739 0.991766 0.398569 Li\n0.994079 0.750000 0.450056 Li\n0.005921 0.250000 0.549943 Li\n0.329261 0.008235 0.601431 Li\n0.329261 0.491766 0.601431 Li\n0.829262 0.008235 0.898569 Li\n0.829262 0.491766 0.898569 Li\n0.505921 0.250000 0.950057 Li\n0.201682 0.750000 0.157385 S\n0.423139 0.093470 0.240898 S\n0.423139 0.406531 0.240898 S\n0.923138 0.093470 0.259102 S\n0.923138 0.406531 0.259102 S\n0.701682 0.750000 0.342615 S\n0.298318 0.250000 0.657386 S\n0.076862 0.593470 0.740899 S\n0.076862 0.906530 0.740899 S\n0.576861 0.593470 0.759101 S\n0.576861 0.906530 0.759101 S\n0.798318 0.250000 0.842614 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"B",
"Li",
"S"
],
"chemical_system": "B-Li-S",
"density": 1.6693201657275747,
"density_atomic": 0.05505023672636436,
"volume": 508.62633232947377,
"volume_molar": 10.939354884037963,
"formula_full": "Li12 B4 S12",
"formula_reduced": "Li3BS3",
"formula_anonymous": "AB3C3",
"formation_energy": -1.1694908599343,
"spacegroup": 62
},
{
"id": "oqmd-11152",
"created_at": "2022-09-04T14:48:47.438123Z",
"updated_at": "2022-09-04T14:48:47.438154Z",
"structure_string": "Rb1 In4\n1.0\n-4.963779 0.000000 0.000000\n0.000000 -4.963779 0.000000\n2.481889 2.481889 6.345570\nIn Rb\n4 1\ndirect\n0.614710 0.614710 0.229420 In\n0.750000 0.250000 0.499999 In\n0.250000 0.750000 0.499999 In\n0.385290 0.385290 0.770580 In\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"Rb"
],
"chemical_system": "In-Rb",
"density": 5.7855238793770125,
"density_atomic": 0.03197970772834115,
"volume": 156.3491462296538,
"volume_molar": 18.831131326015967,
"formula_full": "Rb1 In4",
"formula_reduced": "RbIn4",
"formula_anonymous": "AB4",
"formation_energy": -0.130835806,
"spacegroup": 139
},
{
"id": "oqmd-6312",
"created_at": "2022-09-04T14:48:47.438871Z",
"updated_at": "2022-09-04T14:48:47.438906Z",
"structure_string": "Li2 N2 O6\n1.0\n5.570565 -0.056520 -0.036972\n3.681786 4.180770 -0.036972\n3.681786 1.641162 3.845360\nLi N O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500001 0.500001 Li\n0.250000 0.250000 0.249999 N\n0.750000 0.750000 0.749999 N\n0.750001 0.477664 0.022336 O\n0.522337 0.977663 0.249999 O\n0.022336 0.750001 0.477663 O\n0.977665 0.249999 0.522336 O\n0.477663 0.022337 0.749999 O\n0.250001 0.522336 0.977663 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"N",
"O"
],
"chemical_system": "Li-N-O",
"density": 2.5149026473374847,
"density_atomic": 0.10983320070661777,
"volume": 91.04715091306149,
"volume_molar": 5.482987585954189,
"formula_full": "Li2 N2 O6",
"formula_reduced": "LiNO3",
"formula_anonymous": "ABC3",
"formation_energy": -1.25183301359595,
"spacegroup": 167
},
{
"id": "oqmd-7517",
"created_at": "2022-09-04T14:48:47.444982Z",
"updated_at": "2022-09-04T14:48:47.445010Z",
"structure_string": "Ta1\n1.0\n2.110000 -2.110000 0.000000\n-2.110000 0.000000 -2.110000\n2.110000 2.110000 0.000000\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 15.992826845249812,
"density_atomic": 0.05322585401148892,
"volume": 18.787861999999997,
"volume_molar": 11.314314954345509,
"formula_full": "Ta1",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"formation_energy": 0.24225738,
"spacegroup": 225
},
{
"id": "oqmd-18336",
"created_at": "2022-09-04T14:48:47.449755Z",
"updated_at": "2022-09-04T14:48:47.449766Z",
"structure_string": "La1 Si2 Au2\n1.0\n-4.389290 0.000000 0.000000\n0.000000 -4.389290 0.000000\n2.194645 2.194645 5.142331\nAu La Si\n2 1 2\ndirect\n0.749999 0.250000 0.500001 Au\n0.250000 0.749999 0.500001 Au\n0.000000 0.000000 0.000000 La\n0.615008 0.615008 0.230018 Si\n0.384992 0.384992 0.769983 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Au",
"La",
"Si"
],
"chemical_system": "Au-La-Si",
"density": 9.872403507546645,
"density_atomic": 0.05046861950553216,
"volume": 99.07146359436126,
"volume_molar": 11.932445981289181,
"formula_full": "La1 Si2 Au2",
"formula_reduced": "La(SiAu)2",
"formula_anonymous": "AB2C2",
"formation_energy": -0.657608326,
"spacegroup": 139
},
{
"id": "oqmd-18901",
"created_at": "2022-09-04T14:48:47.450961Z",
"updated_at": "2022-09-04T14:48:47.450982Z",
"structure_string": "Si4 Rh4\n1.0\n5.586620 0.000000 0.000000\n0.000000 3.102566 0.000000\n0.000000 0.000000 6.433841\nRh Si\n4 4\ndirect\n0.002719 0.250000 0.202280 Rh\n0.502719 0.250000 0.297720 Rh\n0.497281 0.749999 0.702280 Rh\n0.997281 0.749999 0.797719 Rh\n0.315933 0.749999 0.056268 Si\n0.815933 0.749999 0.443732 Si\n0.184067 0.250000 0.556268 Si\n0.684067 0.250000 0.943732 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rh",
"Si"
],
"chemical_system": "Rh-Si",
"density": 7.802073939449123,
"density_atomic": 0.07173803925388372,
"volume": 111.51684773105782,
"volume_molar": 8.39462692684896,
"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"formation_energy": -0.824112523750001,
"spacegroup": 62
},
{
"id": "oqmd-12218",
"created_at": "2022-09-04T14:48:47.457371Z",
"updated_at": "2022-09-04T14:48:47.457392Z",
"structure_string": "Ca2 Mn2 Si2\n1.0\n4.032382 0.000000 0.000000\n0.000000 4.032382 0.000000\n0.000000 0.000000 7.022177\nCa Mn Si\n2 2 2\ndirect\n0.249999 0.249999 0.163933 Ca\n0.750001 0.750001 0.836066 Ca\n0.750001 0.249999 0.500000 Mn\n0.249999 0.750001 0.500000 Mn\n0.750001 0.750001 0.307953 Si\n0.249999 0.249999 0.692046 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Si"
],
"chemical_system": "Ca-Mn-Si",
"density": 3.5805314259509746,
"density_atomic": 0.05254799421924026,
"volume": 114.18133249704746,
"volume_molar": 11.460267607693035,
"formula_full": "Ca2 Mn2 Si2",
"formula_reduced": "CaMnSi",
"formula_anonymous": "ABC",
"formation_energy": -0.355570904597701,
"spacegroup": 129
},
{
"id": "oqmd-28420",
"created_at": "2022-09-04T14:48:47.458969Z",
"updated_at": "2022-09-04T14:48:47.458994Z",
"structure_string": "Y1 Fe2 B2\n1.0\n-3.604319 0.000000 0.000000\n0.000000 -3.604319 0.000000\n1.802159 1.802159 4.722842\nB Fe Y\n2 2 1\ndirect\n0.658352 0.658352 0.316703 B\n0.341648 0.341648 0.683296 B\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.000000 0.000000 0.000000 Y\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"Fe",
"Y"
],
"chemical_system": "B-Fe-Y",
"density": 6.014204339872337,
"density_atomic": 0.08149296986410047,
"volume": 61.354985691871505,
"volume_molar": 7.389767203284723,
"formula_full": "Y1 Fe2 B2",
"formula_reduced": "Y(FeB)2",
"formula_anonymous": "AB2C2",
"formation_energy": -0.437617641000001,
"spacegroup": 139
}
]
}