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=spacegroup&page=98",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=96",
"results": [
{
"id": "oqmd-1201704",
"created_at": "2022-09-04T15:40:24.930375Z",
"updated_at": "2022-09-04T15:40:24.930395Z",
"structure_string": "Au4 N4 O4\n1.0\n4.999007 0.000000 0.000000\n-0.414049 5.777160 0.000000\n-1.846981 -0.488396 6.692296\nAu N O\n4 4 4\ndirect\n0.611369 0.153560 0.067104 Au\n0.169508 0.188430 0.218867 Au\n0.867855 0.732726 0.695788 Au\n0.399708 0.731132 0.867209 Au\n0.062962 0.874201 0.328890 N\n0.961831 0.807398 0.446742 N\n0.789512 0.227532 0.646011 N\n0.024311 0.253760 0.663719 N\n0.335277 0.506963 0.162319 O\n0.427106 0.661288 0.320855 O\n0.544647 0.202020 0.630589 O\n0.805910 0.660990 0.951899 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Au",
"N",
"O"
],
"chemical_system": "Au-N-O",
"density": 7.800265252219312,
"density_atomic": 0.0620880419709497,
"volume": 193.27393196929395,
"volume_molar": 9.699356862981267,
"formula_full": "Au4 N4 O4",
"formula_reduced": "AuNO",
"formula_anonymous": "ABC",
"formation_energy": 0.258011306259246,
"spacegroup": 1
},
{
"id": "oqmd-1250873",
"created_at": "2022-09-04T15:40:24.680396Z",
"updated_at": "2022-09-04T15:40:24.680424Z",
"structure_string": "Si4 As4 O4\n1.0\n5.208410 0.000000 0.000000\n2.179891 5.118498 0.000000\n0.430302 1.249183 8.533042\nAs O Si\n4 4 4\ndirect\n0.918614 0.514418 0.058880 As\n0.341830 0.583164 0.106146 As\n0.178119 0.716480 0.372646 As\n0.317666 0.060909 0.429170 As\n0.847799 0.987182 0.266273 O\n0.587318 0.493312 0.491789 O\n0.989672 0.939565 0.770164 O\n0.444865 0.033751 0.816250 O\n0.735003 0.179820 0.102676 Si\n0.913811 0.427431 0.504285 Si\n0.186518 0.098469 0.695470 Si\n0.751585 0.929358 0.901157 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"As",
"O",
"Si"
],
"chemical_system": "As-O-Si",
"density": 3.4747869857131164,
"density_atomic": 0.0527508741443836,
"volume": 227.484381910999,
"volume_molar": 11.416191404746948,
"formula_full": "Si4 As4 O4",
"formula_reduced": "SiAsO",
"formula_anonymous": "ABC",
"formation_energy": -0.940632016126252,
"spacegroup": 1
},
{
"id": "oqmd-1201709",
"created_at": "2022-09-04T15:40:24.926595Z",
"updated_at": "2022-09-04T15:40:24.926631Z",
"structure_string": "Ca4 N4 O4\n1.0\n3.424920 0.000000 0.000000\n0.290681 6.885036 0.000000\n0.793367 0.090480 7.076940\nCa N O\n4 4 4\ndirect\n0.386767 0.465680 0.166287 Ca\n0.306645 0.939464 0.246092 Ca\n0.831479 0.605787 0.563369 Ca\n0.855434 0.139334 0.811468 Ca\n0.849654 0.681711 0.267681 N\n0.554260 0.264254 0.433321 N\n0.365686 0.340614 0.576794 N\n0.285032 0.699178 0.801296 N\n0.303004 0.185027 0.012754 O\n0.747974 0.088559 0.457272 O\n0.179793 0.850995 0.693749 O\n0.334280 0.739391 0.969921 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"N",
"O"
],
"chemical_system": "Ca-N-O",
"density": 2.7895004052475416,
"density_atomic": 0.07190831057094133,
"volume": 166.87918134526842,
"volume_molar": 8.374749333123106,
"formula_full": "Ca4 N4 O4",
"formula_reduced": "CaNO",
"formula_anonymous": "ABC",
"formation_energy": -1.36307567874075,
"spacegroup": 1
},
{
"id": "oqmd-1201708",
"created_at": "2022-09-04T15:40:25.219198Z",
"updated_at": "2022-09-04T15:40:25.219215Z",
"structure_string": "Bi4 N4 O4\n1.0\n5.362422 0.000000 0.000000\n1.074144 6.355219 0.000000\n0.681927 0.472963 6.408036\nBi N O\n4 4 4\ndirect\n0.418416 0.977788 0.316081 Bi\n0.781404 0.106733 0.677336 Bi\n0.216344 0.414977 0.752501 Bi\n0.299355 0.893019 0.836180 Bi\n0.706739 0.387568 0.037284 N\n0.718669 0.559233 0.045744 N\n0.250549 0.473798 0.372444 N\n0.732164 0.535745 0.618999 N\n0.224367 0.326401 0.248563 O\n0.163795 0.656925 0.303084 O\n0.775581 0.066155 0.354609 O\n0.712612 0.601654 0.437181 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"N",
"O"
],
"chemical_system": "Bi-N-O",
"density": 7.268855004102267,
"density_atomic": 0.05494963273724033,
"volume": 218.38180534130103,
"volume_molar": 10.959383093235289,
"formula_full": "Bi4 N4 O4",
"formula_reduced": "BiNO",
"formula_anonymous": "ABC",
"formation_energy": -0.188554189574087,
"spacegroup": 1
},
{
"id": "oqmd-1201726",
"created_at": "2022-09-04T15:40:25.309674Z",
"updated_at": "2022-09-04T15:40:25.309698Z",
"structure_string": "In4 N4 O4\n1.0\n5.441642 0.000000 0.000000\n-0.896202 5.578385 0.000000\n-0.030086 -0.926220 5.728058\nIn N O\n4 4 4\ndirect\n0.954468 0.076109 0.236248 In\n0.467584 0.758479 0.261110 In\n0.533485 0.234985 0.751986 In\n0.047618 0.921186 0.758099 In\n0.719369 0.454462 0.235737 N\n0.923234 0.585125 0.241883 N\n0.076690 0.418524 0.757954 N\n0.277881 0.554598 0.766530 N\n0.127873 0.471699 0.266635 O\n0.261670 0.019059 0.448190 O\n0.742271 0.979812 0.543859 O\n0.867854 0.525956 0.731757 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"In",
"N",
"O"
],
"chemical_system": "In-N-O",
"density": 5.5322789393753204,
"density_atomic": 0.06901371216810262,
"volume": 173.87848911489604,
"volume_molar": 8.726006138216931,
"formula_full": "In4 N4 O4",
"formula_reduced": "InNO",
"formula_anonymous": "ABC",
"formation_energy": -0.458027844574087,
"spacegroup": 1
},
{
"id": "oqmd-828009",
"created_at": "2022-09-04T15:40:25.317363Z",
"updated_at": "2022-09-04T15:40:25.317401Z",
"structure_string": "Gd8 Mg8 Zn8\n1.0\n6.245793 0.000000 0.000000\n-3.103753 5.833878 0.000000\n-0.566217 -0.793583 15.459381\nGd Mg Zn\n8 8 8\ndirect\n0.254099 0.731506 0.147142 Gd\n0.688417 0.313640 0.242677 Gd\n0.846103 0.885891 0.255430 Gd\n0.288371 0.722360 0.371356 Gd\n0.954077 0.079179 0.628118 Gd\n0.381381 0.960826 0.742961 Gd\n0.820425 0.561275 0.787073 Gd\n0.959120 0.126048 0.853511 Gd\n0.738796 0.038823 0.062141 Mg\n0.256045 0.231657 0.084387 Mg\n0.291902 0.228014 0.417337 Mg\n0.787172 0.209868 0.446288 Mg\n0.801858 0.691996 0.450099 Mg\n0.415021 0.605870 0.571179 Mg\n0.430505 0.665627 0.921540 Mg\n0.502203 0.208809 0.932742 Mg\n0.719315 0.611615 0.079299 Zn\n0.240179 0.357417 0.252102 Zn\n0.315983 0.953316 0.539184 Zn\n0.001467 0.605842 0.606746 Zn\n0.576353 0.319276 0.613156 Zn\n0.317288 0.480022 0.744354 Zn\n0.063514 0.836836 0.965158 Zn\n0.973500 0.439431 0.992593 Zn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.824192290633872,
"density_atomic": 0.042606338332256764,
"volume": 563.2964704181086,
"volume_molar": 14.13437764362094,
"formula_full": "Gd8 Mg8 Zn8",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.121007499305557,
"spacegroup": 1
},
{
"id": "oqmd-824587",
"created_at": "2022-09-04T15:40:25.552447Z",
"updated_at": "2022-09-04T15:40:25.552475Z",
"structure_string": "Ca2 Co1 F6\n1.0\n4.194897 0.000000 0.000000\n-0.711821 5.498613 0.000000\n-1.029555 -2.494266 5.042569\nCa Co F\n2 1 6\ndirect\n0.398779 0.689409 0.236106 Ca\n0.910593 0.019453 0.904521 Ca\n0.509434 0.443645 0.664785 Co\n0.867609 0.670456 0.058282 F\n0.183969 0.315720 0.313158 F\n0.788088 0.634704 0.524438 F\n0.662957 0.096652 0.544779 F\n0.294413 0.299955 0.868304 F\n0.384156 0.830008 0.885627 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Co",
"F"
],
"chemical_system": "Ca-Co-F",
"density": 3.613099780240245,
"density_atomic": 0.0773777689662924,
"volume": 116.31247734631137,
"volume_molar": 7.782779008042204,
"formula_full": "Ca2 Co1 F6",
"formula_reduced": "Ca2CoF6",
"formula_anonymous": "AB2C6",
"formation_energy": -3.3545116160874,
"spacegroup": 1
},
{
"id": "oqmd-1250803",
"created_at": "2022-09-04T15:40:25.433065Z",
"updated_at": "2022-09-04T15:40:25.433096Z",
"structure_string": "Sr4 P4 O4\n1.0\n6.094889 0.000000 0.000000\n2.933254 6.253074 0.000000\n3.029382 1.439854 6.688409\nO P Sr\n4 4 4\ndirect\n0.664208 0.464493 0.091479 O\n0.652340 0.787585 0.513725 O\n0.233273 0.228300 0.535337 O\n0.234072 0.537333 0.868776 O\n0.595582 0.700004 0.132556 P\n0.224516 0.807573 0.346466 P\n0.578636 0.636947 0.445742 P\n0.656963 0.966619 0.900477 P\n0.303002 0.307649 0.159971 Sr\n0.661239 0.158467 0.481307 Sr\n0.976481 0.511894 0.719739 Sr\n0.219698 0.893130 0.804425 Sr\n",
"nsites": 12,
"nelements": 3,
"elements": [
"O",
"P",
"Sr"
],
"chemical_system": "O-P-Sr",
"density": 3.5071140842165476,
"density_atomic": 0.04707594584299004,
"volume": 254.90725220950372,
"volume_molar": 12.79239461292044,
"formula_full": "Sr4 P4 O4",
"formula_reduced": "SrPO",
"formula_anonymous": "ABC",
"formation_energy": -1.87685892744623,
"spacegroup": 1
},
{
"id": "oqmd-1201725",
"created_at": "2022-09-04T15:40:25.461879Z",
"updated_at": "2022-09-04T15:40:25.461906Z",
"structure_string": "Ho4 N4 O4\n1.0\n3.920506 0.000000 0.000000\n-0.123685 6.150898 0.000000\n-0.018513 -2.749747 7.499988\nHo N O\n4 4 4\ndirect\n0.230710 0.821846 0.084750 Ho\n0.755413 0.172607 0.419368 Ho\n0.230291 0.835970 0.579808 Ho\n0.755694 0.175812 0.921022 Ho\n0.103119 0.475485 0.166663 N\n0.243184 0.996287 0.369884 N\n0.740823 0.013720 0.631189 N\n0.927338 0.509874 0.825952 N\n0.739106 0.992205 0.119376 O\n0.124351 0.470611 0.327252 O\n0.904173 0.533939 0.673245 O\n0.245784 0.001639 0.881490 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"N",
"O"
],
"chemical_system": "Ho-N-O",
"density": 7.159140048048509,
"density_atomic": 0.06634986284984663,
"volume": 180.85945448231982,
"volume_molar": 9.076342438911192,
"formula_full": "Ho4 N4 O4",
"formula_reduced": "HoNO",
"formula_anonymous": "ABC",
"formation_energy": -1.81481316901853,
"spacegroup": 1
},
{
"id": "oqmd-828007",
"created_at": "2022-09-04T15:40:25.505371Z",
"updated_at": "2022-09-04T15:40:25.505399Z",
"structure_string": "Gd8 Mg8 Zn8\n1.0\n6.306591 0.000000 0.000000\n3.082271 5.714955 0.000000\n0.131045 0.178914 15.457147\nGd Mg Zn\n8 8 8\ndirect\n0.556035 0.059739 0.100576 Gd\n0.241671 0.727553 0.266669 Gd\n0.531579 0.040181 0.409316 Gd\n0.227086 0.237483 0.610333 Gd\n0.772547 0.770813 0.615754 Gd\n0.424973 0.574533 0.740450 Gd\n0.442892 0.062015 0.817039 Gd\n0.148826 0.778979 0.949027 Gd\n0.618498 0.523084 0.107429 Mg\n0.144443 0.272664 0.250883 Mg\n0.029553 0.540137 0.422273 Mg\n0.273257 0.750930 0.529218 Mg\n0.717308 0.279480 0.561946 Mg\n0.927684 0.080050 0.755840 Mg\n0.936647 0.543888 0.803842 Mg\n0.087388 0.304730 0.980288 Mg\n0.048418 0.599605 0.114100 Zn\n0.050098 0.041750 0.115918 Zn\n0.737798 0.733772 0.256568 Zn\n0.716480 0.206414 0.259385 Zn\n0.616446 0.505711 0.396776 Zn\n0.008835 0.094440 0.409739 Zn\n0.646138 0.308117 0.926521 Zn\n0.666045 0.728800 0.955200 Zn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.888923547884106,
"density_atomic": 0.0430798738388902,
"volume": 557.1046955651501,
"volume_molar": 13.979012061459509,
"formula_full": "Gd8 Mg8 Zn8",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.145241290555557,
"spacegroup": 1
},
{
"id": "oqmd-828014",
"created_at": "2022-09-04T15:40:25.522538Z",
"updated_at": "2022-09-04T15:40:25.522592Z",
"structure_string": "Gd8 Mg8 Zn8\n1.0\n6.359707 0.000000 0.000000\n3.086985 5.637224 0.000000\n0.868339 1.118695 15.496002\nGd Mg Zn\n8 8 8\ndirect\n0.698115 0.766944 0.045551 Gd\n0.021077 0.916424 0.200520 Gd\n0.476212 0.363407 0.232847 Gd\n0.584831 0.578077 0.420716 Gd\n0.613513 0.058358 0.451864 Gd\n0.082700 0.322480 0.581857 Gd\n0.711850 0.955222 0.739816 Gd\n0.075101 0.205610 0.901980 Gd\n0.273808 0.608460 0.034578 Mg\n0.948664 0.435810 0.225956 Mg\n0.504374 0.880037 0.243077 Mg\n0.102273 0.094190 0.385221 Mg\n0.094612 0.590328 0.389506 Mg\n0.101745 0.817751 0.569076 Mg\n0.260038 0.482201 0.749136 Mg\n0.518727 0.663288 0.871897 Mg\n0.744423 0.251385 0.055807 Zn\n0.225130 0.203037 0.086785 Zn\n0.570289 0.343337 0.597924 Zn\n0.558553 0.763417 0.606073 Zn\n0.201602 0.960969 0.734570 Zn\n0.774604 0.412340 0.736685 Zn\n0.011377 0.748684 0.890206 Zn\n0.571209 0.190566 0.909437 Zn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.905418381581729,
"density_atomic": 0.04320054026441076,
"volume": 555.5486077976565,
"volume_molar": 13.939966313248005,
"formula_full": "Gd8 Mg8 Zn8",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.14814345763889,
"spacegroup": 1
},
{
"id": "oqmd-1250890",
"created_at": "2022-09-04T15:40:25.566327Z",
"updated_at": "2022-09-04T15:40:25.566356Z",
"structure_string": "Zn4 As4 O4\n1.0\n5.652436 0.000000 0.000000\n0.834883 6.143958 0.000000\n2.439585 0.795868 5.847612\nAs O Zn\n4 4 4\ndirect\n0.728257 0.272465 0.081396 As\n0.083862 0.617218 0.320128 As\n0.217614 0.979023 0.340964 As\n0.351635 0.249105 0.989732 As\n0.741234 0.621640 0.505927 O\n0.198362 0.470404 0.541243 O\n0.572164 0.115597 0.717772 O\n0.138682 0.818698 0.844341 O\n0.571066 0.374937 0.461047 Zn\n0.475181 0.869410 0.591597 Zn\n0.926443 0.056797 0.746579 Zn\n0.995503 0.554708 0.859279 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"As",
"O",
"Zn"
],
"chemical_system": "As-O-Zn",
"density": 5.113155211741421,
"density_atomic": 0.059090655197611884,
"volume": 203.0777956323113,
"volume_molar": 10.191358921069101,
"formula_full": "Zn4 As4 O4",
"formula_reduced": "ZnAsO",
"formula_anonymous": "ABC",
"formation_energy": -0.847380434459585,
"spacegroup": 1
}
]
}