HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&page=2",
"previous": null,
"results": [
{
"id": "oqmd-1735565",
"created_at": "2022-09-04T16:03:17.858012Z",
"updated_at": "2022-09-04T16:03:17.858044Z",
"structure_string": "V2 Cr2 Ru2 O14\n1.0\n5.507617 0.000000 0.000000\n-1.301169 6.443995 0.000000\n-0.041228 -0.872808 7.719141\nCr O Ru V\n2 14 2 2\ndirect\n0.827096 0.310010 0.406198 Cr\n0.172904 0.689990 0.593802 Cr\n0.657794 0.691349 0.091563 O\n0.207120 0.929482 0.108470 O\n0.039951 0.331406 0.197680 O\n0.569126 0.313136 0.226675 O\n0.799506 0.009806 0.377846 O\n0.399601 0.693354 0.403276 O\n0.886223 0.622954 0.429083 O\n0.113777 0.377046 0.570917 O\n0.600399 0.306646 0.596724 O\n0.200494 0.990194 0.622154 O\n0.430874 0.686864 0.773325 O\n0.960049 0.668594 0.802320 O\n0.792880 0.070518 0.891530 O\n0.342206 0.308651 0.908437 O\n0.277524 0.199593 0.118039 Ru\n0.722476 0.800407 0.881961 Ru\n0.684862 0.754577 0.323249 V\n0.315138 0.245423 0.676751 V\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cr",
"O",
"Ru",
"V"
],
"chemical_system": "Cr-O-Ru-V",
"density": 3.8307423945611445,
"density_atomic": 0.07300323326685383,
"volume": 273.96046866708764,
"volume_molar": 8.249142524943856,
"formula_full": "V2 Cr2 Ru2 O14",
"formula_reduced": "VCrRuO7",
"formula_anonymous": "ABCD7",
"formation_energy": -1.7288005095695147,
"spacegroup": 2
},
{
"id": "oqmd-1759427",
"created_at": "2022-09-04T16:03:17.847416Z",
"updated_at": "2022-09-04T16:03:17.847443Z",
"structure_string": "Nd4 C4 O12\n1.0\n6.293650 0.000000 0.000000\n0.000000 5.124187 0.000000\n-2.446427 0.000000 7.483270\nC Nd O\n4 4 12\ndirect\n0.746388 0.772952 0.010508 C\n0.253612 0.272952 0.489492 C\n0.746388 0.727048 0.510508 C\n0.253612 0.227048 0.989492 C\n0.706963 0.206967 0.180351 Nd\n0.293037 0.706967 0.319649 Nd\n0.706963 0.293033 0.680351 Nd\n0.293037 0.793033 0.819649 Nd\n0.292458 0.471703 0.051149 O\n0.324616 0.032348 0.109676 O\n0.923103 0.826584 0.151219 O\n0.076897 0.326584 0.348781 O\n0.675384 0.532348 0.390324 O\n0.707542 0.971703 0.448851 O\n0.292458 0.028297 0.551149 O\n0.324616 0.467652 0.609676 O\n0.923103 0.673416 0.651219 O\n0.076897 0.173416 0.848781 O\n0.675384 0.967652 0.890324 O\n0.707542 0.528297 0.948851 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"C",
"Nd",
"O"
],
"chemical_system": "C-Nd-O",
"density": 5.621524332536543,
"density_atomic": 0.08287261115617897,
"volume": 241.33425652908008,
"volume_molar": 7.266744315140348,
"formula_full": "Nd4 C4 O12",
"formula_reduced": "NdCO3",
"formula_anonymous": "ABC3",
"formation_energy": -2.255074968027253,
"spacegroup": 14
},
{
"id": "oqmd-1735357",
"created_at": "2022-09-04T16:03:17.839680Z",
"updated_at": "2022-09-04T16:03:17.839716Z",
"structure_string": "La4 Cr4 Se8 O4\n1.0\n8.755260 0.000000 0.000000\n0.000000 3.884869 0.000000\n0.000000 0.000000 11.637834\nCr La O Se\n4 4 4 8\ndirect\n0.824368 0.750000 0.026918 Cr\n0.324368 0.750000 0.473082 Cr\n0.675632 0.250000 0.526918 Cr\n0.175632 0.250000 0.973082 Cr\n0.452820 0.750000 0.138876 La\n0.952820 0.750000 0.361124 La\n0.047180 0.250000 0.638876 La\n0.547180 0.250000 0.861124 La\n0.390740 0.250000 0.035517 O\n0.890740 0.250000 0.464483 O\n0.109260 0.750000 0.535517 O\n0.609260 0.750000 0.964483 O\n0.095059 0.750000 0.106304 Se\n0.752456 0.250000 0.171383 Se\n0.252456 0.250000 0.328617 Se\n0.595059 0.750000 0.393696 Se\n0.404941 0.250000 0.606304 Se\n0.747544 0.750000 0.671383 Se\n0.247544 0.750000 0.828617 Se\n0.904941 0.250000 0.893696 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cr",
"La",
"O",
"Se"
],
"chemical_system": "Cr-La-O-Se",
"density": 6.1216895020029405,
"density_atomic": 0.0505257083807655,
"volume": 395.838091952685,
"volume_molar": 11.91896353954446,
"formula_full": "La4 Cr4 Se8 O4",
"formula_reduced": "LaCrSe2O",
"formula_anonymous": "ABCD2",
"formation_energy": -1.983324907527603,
"spacegroup": 62
},
{
"id": "oqmd-1759431",
"created_at": "2022-09-04T16:03:17.831894Z",
"updated_at": "2022-09-04T16:03:17.831919Z",
"structure_string": "Na4 Be4 F12\n1.0\n4.891326 0.000000 0.000000\n0.000000 6.926446 0.000000\n0.000000 0.000000 4.875636\nBe F Na\n4 12 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.000842 0.750000 0.019045 F\n0.264517 0.009669 0.237149 F\n0.264517 0.490331 0.237149 F\n0.764517 0.009669 0.262851 F\n0.764517 0.490331 0.262851 F\n0.500842 0.750000 0.480955 F\n0.499158 0.250000 0.519045 F\n0.235483 0.509669 0.737149 F\n0.235483 0.990331 0.737149 F\n0.735483 0.509669 0.762851 F\n0.735483 0.990331 0.762851 F\n0.999158 0.250000 0.980955 F\n0.505251 0.250000 0.000819 Na\n0.005251 0.250000 0.499181 Na\n0.994749 0.750000 0.500819 Na\n0.494749 0.750000 0.999181 Na\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"F",
"Na"
],
"chemical_system": "Be-F-Na",
"density": 3.5786308742163975,
"density_atomic": 0.12107700204683525,
"volume": 165.18413622649462,
"volume_molar": 4.97381059837483,
"formula_full": "Na4 Be4 F12",
"formula_reduced": "NaBeF3",
"formula_anonymous": "ABC3",
"formation_energy": -3.133253852648993,
"spacegroup": 62
},
{
"id": "oqmd-1759413",
"created_at": "2022-09-04T16:03:17.830190Z",
"updated_at": "2022-09-04T16:03:17.830216Z",
"structure_string": "Sr4 Nd2 Re2 O12\n1.0\n5.829477 0.000000 0.000000\n0.000000 5.927925 0.000000\n-5.772425 0.000000 8.286033\nNd O Re Sr\n2 12 2 4\ndirect\n0.000000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.272178 0.187742 0.045727 O\n0.367499 0.725737 0.049466 O\n0.818303 0.027644 0.228745 O\n0.181697 0.527644 0.271255 O\n0.632501 0.225737 0.450534 O\n0.727822 0.687742 0.454273 O\n0.272178 0.312258 0.545727 O\n0.367499 0.774263 0.549466 O\n0.818303 0.472356 0.728745 O\n0.181697 0.972356 0.771255 O\n0.632501 0.274263 0.950534 O\n0.727822 0.812258 0.954273 O\n0.500000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.739258 0.456537 0.249612 Sr\n0.260742 0.956537 0.250388 Sr\n0.739258 0.043463 0.749612 Sr\n0.260742 0.543463 0.750388 Sr\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"O",
"Re",
"Sr"
],
"chemical_system": "Nd-O-Re-Sr",
"density": 6.978621023699922,
"density_atomic": 0.06984752850898426,
"volume": 286.337976832315,
"volume_molar": 8.6218380070891,
"formula_full": "Sr4 Nd2 Re2 O12",
"formula_reduced": "Sr2NdReO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.785670753027253,
"spacegroup": 14
},
{
"id": "oqmd-1748888",
"created_at": "2022-09-04T16:03:17.829749Z",
"updated_at": "2022-09-04T16:03:17.829771Z",
"structure_string": "H10 Pb2 Br2 O6\n1.0\n4.384966 0.000000 0.000000\n0.000000 4.384966 0.000000\n0.000000 0.000000 11.445846\nBr H O Pb\n2 10 6 2\ndirect\n0.000000 0.500000 0.095035 Br\n0.500000 0.000000 0.904965 Br\n0.000000 0.186837 0.372428 H\n0.313163 0.500000 0.372428 H\n0.686837 0.500000 0.372428 H\n0.000000 0.813163 0.372428 H\n0.500000 0.000000 0.480141 H\n0.000000 0.500000 0.519859 H\n0.186837 0.000000 0.627572 H\n0.813163 0.000000 0.627572 H\n0.500000 0.313163 0.627572 H\n0.500000 0.686837 0.627572 H\n0.000000 0.000000 0.319133 O\n0.500000 0.500000 0.319133 O\n0.000000 0.500000 0.435193 O\n0.500000 0.000000 0.564807 O\n0.000000 0.000000 0.680867 O\n0.500000 0.500000 0.680867 O\n0.500000 0.000000 0.185884 Pb\n0.000000 0.500000 0.814116 Pb\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Br",
"H",
"O",
"Pb"
],
"chemical_system": "Br-H-O-Pb",
"density": 5.132853482877334,
"density_atomic": 0.09087609078747914,
"volume": 220.07988929422115,
"volume_molar": 6.626760358875085,
"formula_full": "H10 Pb2 Br2 O6",
"formula_reduced": "H5PbBrO3",
"formula_anonymous": "ABC3D5",
"formation_energy": -1.1674669885972977,
"spacegroup": 129
},
{
"id": "oqmd-1747908",
"created_at": "2022-09-04T16:03:17.829715Z",
"updated_at": "2022-09-04T16:03:17.829739Z",
"structure_string": "Na4 Mn2 Te2 O12\n1.0\n5.130924 0.000000 0.000000\n-2.565462 4.443510 0.000000\n0.000000 0.000000 10.391211\nMn Na O Te\n2 4 12 2\ndirect\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.750000 Mn\n0.666667 0.333333 0.037113 Na\n0.666667 0.333333 0.462887 Na\n0.333333 0.666667 0.537113 Na\n0.333333 0.666667 0.962887 Na\n0.286679 0.337633 0.144879 O\n0.050953 0.713321 0.144879 O\n0.662367 0.949047 0.144879 O\n0.050953 0.337633 0.355121 O\n0.662367 0.713321 0.355121 O\n0.286679 0.949047 0.355121 O\n0.713321 0.050953 0.644879 O\n0.337633 0.286679 0.644879 O\n0.949047 0.662367 0.644879 O\n0.337633 0.050953 0.855121 O\n0.949047 0.286679 0.855121 O\n0.713321 0.662367 0.855121 O\n0.000000 0.000000 0.250000 Te\n0.000000 0.000000 0.750000 Te\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Na",
"O",
"Te"
],
"chemical_system": "Mn-Na-O-Te",
"density": 4.549090758446976,
"density_atomic": 0.08441936642087693,
"volume": 236.91246271962063,
"volume_molar": 7.13360099147904,
"formula_full": "Na4 Mn2 Te2 O12",
"formula_reduced": "Na2MnTeO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -1.7744049727521023,
"spacegroup": 163
},
{
"id": "oqmd-1759438",
"created_at": "2022-09-04T16:03:17.820550Z",
"updated_at": "2022-09-04T16:03:17.820578Z",
"structure_string": "Nd12 Ge4 O4\n1.0\n6.871915 0.000000 0.000000\n0.000000 9.723136 0.000000\n0.000000 0.000000 6.910046\nGe Nd O\n4 12 4\ndirect\n0.000000 0.750000 0.000415 Ge\n0.499997 0.750000 0.499585 Ge\n0.500003 0.250000 0.500415 Ge\n0.000000 0.250000 0.999585 Ge\n0.499896 0.250000 0.024287 Nd\n0.750224 0.512277 0.249763 Nd\n0.750224 0.987723 0.249763 Nd\n0.250224 0.512277 0.250237 Nd\n0.250224 0.987723 0.250237 Nd\n0.999896 0.250000 0.475713 Nd\n0.000104 0.750000 0.524287 Nd\n0.749776 0.012277 0.749763 Nd\n0.749776 0.487723 0.749763 Nd\n0.249776 0.012277 0.750237 Nd\n0.249776 0.487723 0.750237 Nd\n0.500104 0.750000 0.975713 Nd\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ge",
"Nd",
"O"
],
"chemical_system": "Ge-Nd-O",
"density": 7.500430948223364,
"density_atomic": 0.043317652980491894,
"volume": 461.70553166874026,
"volume_molar": 13.90227850689896,
"formula_full": "Nd12 Ge4 O4",
"formula_reduced": "Nd3GeO",
"formula_anonymous": "ABC3",
"formation_energy": -1.450396278175751,
"spacegroup": 74
},
{
"id": "oqmd-1759424",
"created_at": "2022-09-04T16:03:17.810810Z",
"updated_at": "2022-09-04T16:03:17.810836Z",
"structure_string": "K4 Nd4 F12\n1.0\n6.252382 0.000000 0.000000\n0.000000 8.171295 0.000000\n-0.013203 0.000000 6.386836\nF K Nd\n12 4 4\ndirect\n0.332032 0.250000 0.109764 F\n0.817812 0.022421 0.178376 F\n0.817812 0.477579 0.178376 F\n0.316760 0.521785 0.320743 F\n0.316760 0.978215 0.320743 F\n0.831041 0.750000 0.389746 F\n0.168959 0.250000 0.610254 F\n0.683240 0.021785 0.679257 F\n0.683240 0.478215 0.679257 F\n0.182188 0.522421 0.821624 F\n0.182188 0.977579 0.821624 F\n0.667968 0.750000 0.890236 F\n0.027152 0.750000 0.041401 K\n0.526968 0.250000 0.459985 K\n0.473032 0.750000 0.540015 K\n0.972848 0.250000 0.958599 K\n0.500000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n",
"nsites": 20,
"nelements": 3,
"elements": [
"F",
"K",
"Nd"
],
"chemical_system": "F-K-Nd",
"density": 4.892207544387083,
"density_atomic": 0.061292570787080745,
"volume": 326.30382023747,
"volume_molar": 9.825237679978907,
"formula_full": "K4 Nd4 F12",
"formula_reduced": "KNdF3",
"formula_anonymous": "ABC3",
"formation_energy": -3.276024947478663,
"spacegroup": 62
},
{
"id": "oqmd-1735747",
"created_at": "2022-09-04T16:03:17.810172Z",
"updated_at": "2022-09-04T16:03:17.810203Z",
"structure_string": "Cs4 K1 Li1 Co2 F12\n1.0\n3.045096 1.758087 9.917848\n-3.045096 1.758087 9.917848\n0.000000 -3.516174 9.917848\nCo Cs F K Li\n2 4 12 1 1\ndirect\n0.417531 0.417531 0.417531 Co\n0.582469 0.582469 0.582469 Co\n0.132425 0.132425 0.132425 Cs\n0.287225 0.287225 0.287225 Cs\n0.712775 0.712775 0.712775 Cs\n0.867575 0.867575 0.867575 Cs\n0.597740 0.597740 0.172064 F\n0.669689 0.238130 0.238130 F\n0.238130 0.669689 0.238130 F\n0.761870 0.761870 0.330311 F\n0.827936 0.402260 0.402260 F\n0.402260 0.827936 0.402260 F\n0.597740 0.172064 0.597740 F\n0.172064 0.597740 0.597740 F\n0.238130 0.238130 0.669689 F\n0.761870 0.330311 0.761870 F\n0.330311 0.761870 0.761870 F\n0.402260 0.402260 0.827936 F\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Co",
"Cs",
"F",
"K",
"Li"
],
"chemical_system": "Co-Cs-F-K-Li",
"density": 4.813709387478529,
"density_atomic": 0.06277980260515376,
"volume": 318.57379555312826,
"volume_molar": 9.592481196342002,
"formula_full": "Cs4 K1 Li1 Co2 F12",
"formula_reduced": "Cs4KLiCo2F12",
"formula_anonymous": "ABC2D4E12",
"formation_energy": -2.677093499228664,
"spacegroup": 166
},
{
"id": "oqmd-1759406",
"created_at": "2022-09-04T16:03:17.809157Z",
"updated_at": "2022-09-04T16:03:17.809190Z",
"structure_string": "Li2 Ce4 Ru2 O12\n1.0\n5.512198 0.000000 0.000000\n0.000000 5.644398 0.000000\n-5.491653 0.000000 7.809252\nCe Li O Ru\n4 2 12 2\ndirect\n0.237855 0.946595 0.248870 Ce\n0.762145 0.446595 0.251130 Ce\n0.237855 0.553405 0.748870 Ce\n0.762145 0.053405 0.751130 Ce\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.828698 0.200400 0.042887 O\n0.742739 0.715259 0.044416 O\n0.662520 0.018260 0.244773 O\n0.337480 0.518260 0.255227 O\n0.257261 0.215259 0.455584 O\n0.171302 0.700400 0.457113 O\n0.828698 0.299600 0.542887 O\n0.742739 0.784741 0.544416 O\n0.662520 0.481740 0.744773 O\n0.337480 0.981740 0.755227 O\n0.257261 0.284741 0.955584 O\n0.171302 0.799600 0.957113 O\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ce",
"Li",
"O",
"Ru"
],
"chemical_system": "Ce-Li-O-Ru",
"density": 6.618923169357541,
"density_atomic": 0.08231483646161634,
"volume": 242.96956490129284,
"volume_molar": 7.315984601157704,
"formula_full": "Li2 Ce4 Ru2 O12",
"formula_reduced": "LiCe2RuO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.5999169445272523,
"spacegroup": 14
},
{
"id": "oqmd-1735093",
"created_at": "2022-09-04T16:03:17.808823Z",
"updated_at": "2022-09-04T16:03:17.808863Z",
"structure_string": "Rb4 Ge4 Cl12\n1.0\n7.938683 0.000000 0.000000\n0.000000 7.394394 0.000000\n0.000000 0.000000 10.880934\nCl Ge Rb\n12 4 4\ndirect\n0.220084 0.169271 0.039863 Cl\n0.720084 0.330729 0.039863 Cl\n0.996782 0.570619 0.235206 Cl\n0.496782 0.929381 0.235206 Cl\n0.180583 0.213032 0.471354 Cl\n0.680583 0.286968 0.471354 Cl\n0.279916 0.669271 0.539863 Cl\n0.779916 0.830729 0.539863 Cl\n0.503218 0.070619 0.735206 Cl\n0.003218 0.429381 0.735206 Cl\n0.319417 0.713032 0.971354 Cl\n0.819417 0.786968 0.971354 Cl\n0.971070 0.513969 0.018358 Ge\n0.471070 0.986031 0.018358 Ge\n0.528930 0.013969 0.518358 Ge\n0.028930 0.486031 0.518358 Ge\n0.925704 0.024300 0.250422 Rb\n0.425704 0.475700 0.250422 Rb\n0.574296 0.524300 0.750422 Rb\n0.074296 0.975700 0.750422 Rb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cl",
"Ge",
"Rb"
],
"chemical_system": "Cl-Ge-Rb",
"density": 2.7501920673179523,
"density_atomic": 0.031312141546968444,
"volume": 638.7298668153966,
"volume_molar": 19.232605827891856,
"formula_full": "Rb4 Ge4 Cl12",
"formula_reduced": "RbGeCl3",
"formula_anonymous": "ABC3",
"formation_energy": -1.4878762198714734,
"spacegroup": 33
}
]
}