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=-nelements&page=2",
"previous": null,
"results": [
{
"id": "oqmd-1589186",
"created_at": "2022-09-04T15:57:14.212285Z",
"updated_at": "2022-09-04T15:57:14.212312Z",
"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.820952 0.000000 0.000000\n3.367701 6.680330 0.000000\n2.722300 0.223957 8.002309\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.743646 0.160133 0.372068 Cs\n0.112194 0.457519 0.335837 Ge\n0.609307 0.723763 0.102617 K\n0.389335 0.275234 0.896820 K\n0.816121 0.518202 0.483068 O\n0.167189 0.508645 0.525289 O\n0.261923 0.826319 0.638081 Rb\n0.289304 0.141129 0.281775 S\n0.710872 0.847626 0.727094 S\n0.113516 0.695166 0.123867 Se\n0.893996 0.554421 0.643676 Si\n0.892598 0.291844 0.869806 Te\n",
"nsites": 12,
"nelements": 9,
"elements": [
"Cs",
"Ge",
"K",
"O",
"Rb",
"S",
"Se",
"Si",
"Te"
],
"chemical_system": "Cs-Ge-K-O-Rb-S-Se-Si-Te",
"density": 3.1877120032425843,
"density_atomic": 0.0329096314659048,
"volume": 364.63489457280303,
"volume_molar": 18.299022176043167,
"formula_full": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2",
"formula_reduced": "CsK2RbSiGeTeSe(SO)2",
"formula_anonymous": "ABCDEFG2H2I2",
"formation_energy": -1.4317751277597963,
"spacegroup": 1
},
{
"id": "oqmd-1589182",
"created_at": "2022-09-04T15:57:15.700923Z",
"updated_at": "2022-09-04T15:57:15.700951Z",
"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.843524 0.000000 0.000000\n3.386072 6.685053 0.000000\n2.802943 0.283216 7.966509\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.733872 0.177665 0.359723 Cs\n0.890466 0.543350 0.662373 Ge\n0.609706 0.720501 0.108539 K\n0.395525 0.268001 0.897518 K\n0.832102 0.499531 0.473077 O\n0.184316 0.487620 0.511589 O\n0.243551 0.855478 0.640232 Rb\n0.282684 0.148234 0.280990 S\n0.710054 0.855757 0.722870 S\n0.894378 0.298844 0.871678 Se\n0.106722 0.446300 0.353904 Si\n0.116623 0.698720 0.117509 Te\n",
"nsites": 12,
"nelements": 9,
"elements": [
"Cs",
"Ge",
"K",
"O",
"Rb",
"S",
"Se",
"Si",
"Te"
],
"chemical_system": "Cs-Ge-K-O-Rb-S-Se-Si-Te",
"density": 3.1892209209877054,
"density_atomic": 0.032925209387264634,
"volume": 364.462374676395,
"volume_molar": 18.290364350209252,
"formula_full": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2",
"formula_reduced": "CsK2RbSiGeTeSe(SO)2",
"formula_anonymous": "ABCDEFG2H2I2",
"formation_energy": -1.4294063969264628,
"spacegroup": 1
},
{
"id": "oqmd-1589183",
"created_at": "2022-09-04T15:57:16.100004Z",
"updated_at": "2022-09-04T15:57:16.100042Z",
"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.823101 0.000000 0.000000\n3.403821 6.651381 0.000000\n2.673190 -0.245481 8.030892\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.092280 0.178966 0.626348 Cs\n0.439960 0.447609 0.655062 Ge\n0.334950 0.268104 0.111276 K\n0.663374 0.713804 0.905839 K\n0.337877 0.491251 0.464835 O\n0.675916 0.504105 0.508940 O\n0.905767 0.849675 0.358527 Rb\n0.441877 0.843574 0.278393 S\n0.575112 0.134571 0.722284 S\n0.798576 0.312657 0.137966 Se\n0.561579 0.541903 0.348148 Si\n0.172732 0.713781 0.882382 Te\n",
"nsites": 12,
"nelements": 9,
"elements": [
"Cs",
"Ge",
"K",
"O",
"Rb",
"S",
"Se",
"Si",
"Te"
],
"chemical_system": "Cs-Ge-K-O-Rb-S-Se-Si-Te",
"density": 3.1891863294043046,
"density_atomic": 0.032924852267091805,
"volume": 364.4663278259848,
"volume_molar": 18.290562737069877,
"formula_full": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2",
"formula_reduced": "CsK2RbSiGeTeSe(SO)2",
"formula_anonymous": "ABCDEFG2H2I2",
"formation_energy": -1.4384120594264629,
"spacegroup": 1
},
{
"id": "oqmd-1589185",
"created_at": "2022-09-04T15:57:16.361285Z",
"updated_at": "2022-09-04T15:57:16.361309Z",
"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.799566 0.000000 0.000000\n3.397657 6.664137 0.000000\n2.417515 -0.121953 8.075008\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.092723 0.159937 0.630589 Cs\n0.561130 0.553550 0.347493 Ge\n0.346000 0.280402 0.087962 K\n0.663303 0.722222 0.887520 K\n0.320412 0.502490 0.485964 O\n0.650626 0.520289 0.545315 O\n0.907416 0.825457 0.382382 Rb\n0.437474 0.860862 0.268089 S\n0.562848 0.155417 0.716390 S\n0.194196 0.680886 0.860804 Se\n0.433160 0.460191 0.651936 Si\n0.830711 0.278295 0.135557 Te\n",
"nsites": 12,
"nelements": 9,
"elements": [
"Cs",
"Ge",
"K",
"O",
"Rb",
"S",
"Se",
"Si",
"Te"
],
"chemical_system": "Cs-Ge-K-O-Rb-S-Se-Si-Te",
"density": 3.176649020019259,
"density_atomic": 0.032795418293440425,
"volume": 365.90477037459164,
"volume_molar": 18.362750266260573,
"formula_full": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2",
"formula_reduced": "CsK2RbSiGeTeSe(SO)2",
"formula_anonymous": "ABCDEFG2H2I2",
"formation_energy": -1.441259385259796,
"spacegroup": 1
},
{
"id": "oqmd-1589184",
"created_at": "2022-09-04T15:57:16.275166Z",
"updated_at": "2022-09-04T15:57:16.275192Z",
"structure_string": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2\n1.0\n6.843683 0.000000 0.000000\n3.386173 6.685005 0.000000\n2.802889 0.283224 7.966449\nCs Ge K O Rb S Se Si Te\n1 1 2 2 1 2 1 1 1\ndirect\n0.733873 0.177666 0.359723 Cs\n0.890459 0.543357 0.662374 Ge\n0.609716 0.720498 0.108539 K\n0.395520 0.268002 0.897523 K\n0.832095 0.499535 0.473075 O\n0.184315 0.487626 0.511597 O\n0.243543 0.855478 0.640227 Rb\n0.282692 0.148231 0.280982 S\n0.710055 0.855739 0.722868 S\n0.894374 0.298846 0.871670 Se\n0.106722 0.446297 0.353910 Si\n0.116631 0.698724 0.117512 Te\n",
"nsites": 12,
"nelements": 9,
"elements": [
"Cs",
"Ge",
"K",
"O",
"Rb",
"S",
"Se",
"Si",
"Te"
],
"chemical_system": "Cs-Ge-K-O-Rb-S-Se-Si-Te",
"density": 3.1891937438616758,
"density_atomic": 0.032924928813235034,
"volume": 364.4654804895519,
"volume_molar": 18.290520213909293,
"formula_full": "Cs1 K2 Rb1 Si1 Ge1 Te1 Se1 S2 O2",
"formula_reduced": "CsK2RbSiGeTeSe(SO)2",
"formula_anonymous": "ABCDEFG2H2I2",
"formation_energy": -1.4294078544264632,
"spacegroup": 1
},
{
"id": "oqmd-1589181",
"created_at": "2022-09-04T15:57:16.632510Z",
"updated_at": "2022-09-04T15:57:16.632519Z",
"structure_string": "Li1 Er1 Ti1 V1 Os1 Ru1 W1 N1 O1\n1.0\n3.000608 0.000000 0.000000\n-1.500304 2.598603 0.000000\n0.000000 0.000000 17.035174\nEr Li N O Os Ru Ti V W\n1 1 1 1 1 1 1 1 1\ndirect\n0.000000 0.000000 0.567896 Er\n0.000000 0.000000 0.718678 Li\n0.333333 0.666667 0.639742 N\n0.666667 0.333333 0.219100 O\n0.333333 0.666667 0.413965 Os\n0.666667 0.333333 0.856975 Ru\n0.000000 0.000000 0.961332 Ti\n0.333333 0.666667 0.276305 V\n0.666667 0.333333 0.096007 W\n",
"nsites": 9,
"nelements": 9,
"elements": [
"Er",
"Li",
"N",
"O",
"Os",
"Ru",
"Ti",
"V",
"W"
],
"chemical_system": "Er-Li-N-O-Os-Ru-Ti-V-W",
"density": 9.727902617122004,
"density_atomic": 0.06775584053877397,
"volume": 132.82987751955727,
"volume_molar": 8.888002439514818,
"formula_full": "Li1 Er1 Ti1 V1 Os1 Ru1 W1 N1 O1",
"formula_reduced": "LiErTiVOsRuWNO",
"formula_anonymous": "ABCDEFGHI",
"formation_energy": -0.2526966722547949,
"spacegroup": 156
},
{
"id": "oqmd-1589180",
"created_at": "2022-09-04T15:57:16.818932Z",
"updated_at": "2022-09-04T15:57:16.818950Z",
"structure_string": "Er1 Lu1 Ti1 V1 Os1 Ru1 W1 N1 O1\n1.0\n3.265938 0.000000 0.000000\n-1.632969 2.828385 0.000000\n0.000000 0.000000 16.332414\nEr Lu N O Os Ru Ti V W\n1 1 1 1 1 1 1 1 1\ndirect\n0.000000 0.000000 0.528386 Er\n0.000000 0.000000 0.710129 Lu\n0.333333 0.666667 0.629878 N\n0.666667 0.333333 0.467268 O\n0.333333 0.666667 0.316166 Os\n0.666667 0.333333 0.848752 Ru\n0.000000 0.000000 0.945012 Ti\n0.333333 0.666667 0.083811 V\n0.666667 0.333333 0.220598 W\n",
"nsites": 9,
"nelements": 9,
"elements": [
"Er",
"Lu",
"N",
"O",
"Os",
"Ru",
"Ti",
"V",
"W"
],
"chemical_system": "Er-Lu-N-O-Os-Ru-Ti-V-W",
"density": 10.414209149802321,
"density_atomic": 0.0596548376528503,
"volume": 150.86789863336392,
"volume_molar": 10.094974685950326,
"formula_full": "Er1 Lu1 Ti1 V1 Os1 Ru1 W1 N1 O1",
"formula_reduced": "ErLuTiVOsRuWNO",
"formula_anonymous": "ABCDEFGHI",
"formation_energy": -0.5605855639214591,
"spacegroup": 156
},
{
"id": "oqmd-36602",
"created_at": "2022-09-04T15:51:33.589648Z",
"updated_at": "2022-09-04T15:51:33.589675Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1\n1.0\n7.992119 4.614252 2.365697\n-7.992119 4.614252 2.365697\n0.000000 -9.228504 2.365697\nAl B F Fe H Na O Si\n6 3 1 3 3 1 30 6\ndirect\n0.650568 0.426376 0.092212 Al\n0.426376 0.650568 0.092212 Al\n0.650568 0.092212 0.426376 Al\n0.092212 0.650568 0.426376 Al\n0.426376 0.092212 0.650568 Al\n0.092212 0.426376 0.650568 Al\n0.773007 0.443770 0.443770 B\n0.443770 0.773007 0.443770 B\n0.443770 0.443770 0.773007 B\n0.189779 0.189779 0.189779 F\n0.441888 0.441888 0.253453 Fe\n0.441888 0.253453 0.441888 Fe\n0.253453 0.441888 0.441888 Fe\n0.765288 0.765288 0.365285 H\n0.765288 0.365285 0.765288 H\n0.365285 0.765288 0.765288 H\n0.783197 0.783197 0.783197 Na\n0.412279 0.232350 0.025981 O\n0.232350 0.412279 0.025981 O\n0.832124 0.832124 0.112231 O\n0.919163 0.630422 0.202550 O\n0.630422 0.919163 0.202550 O\n0.632167 0.632167 0.220230 O\n0.412279 0.025981 0.232350 O\n0.025981 0.412279 0.232350 O\n0.830973 0.499651 0.350221 O\n0.499651 0.830973 0.350221 O\n0.232350 0.025981 0.412279 O\n0.025981 0.232350 0.412279 O\n0.658731 0.476439 0.476439 O\n0.476439 0.658731 0.476439 O\n0.830973 0.350221 0.499651 O\n0.350221 0.830973 0.499651 O\n0.919163 0.202550 0.630422 O\n0.202550 0.919163 0.630422 O\n0.632167 0.220230 0.632167 O\n0.220230 0.632167 0.632167 O\n0.476439 0.476439 0.658731 O\n0.994631 0.994631 0.715354 O\n0.499651 0.350221 0.830973 O\n0.350221 0.499651 0.830973 O\n0.832124 0.112231 0.832124 O\n0.112231 0.832124 0.832124 O\n0.630422 0.202550 0.919163 O\n0.202550 0.630422 0.919163 O\n0.715354 0.994631 0.994631 O\n0.994631 0.715354 0.994631 O\n0.999284 0.805087 0.187505 Si\n0.805087 0.999284 0.187505 Si\n0.999284 0.187505 0.805087 Si\n0.187505 0.999284 0.805087 Si\n0.805087 0.187505 0.999284 Si\n0.187505 0.805087 0.999284 Si\n",
"nsites": 53,
"nelements": 8,
"elements": [
"Al",
"B",
"F",
"Fe",
"H",
"Na",
"O",
"Si"
],
"chemical_system": "Al-B-F-Fe-H-Na-O-Si",
"density": 3.3479413778872393,
"density_atomic": 0.10125168263076692,
"volume": 523.4480911618462,
"volume_molar": 5.947694500999905,
"formula_full": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3H3O30F",
"formula_anonymous": "ABC3D3E3F6G6H30",
"formation_energy": -2.7779240807196346,
"spacegroup": 160
},
{
"id": "oqmd-93315",
"created_at": "2022-09-04T15:51:34.800434Z",
"updated_at": "2022-09-04T15:51:34.800451Z",
"structure_string": "H26 Ru2 C10 S2 N4 Cl6 O6\n1.0\n7.469109 0.000000 0.000000\n-3.515740 8.705410 0.000000\n-0.075602 -1.221577 9.531597\nC Cl H N O Ru S\n10 6 26 4 6 2 2\ndirect\n0.997937 0.772882 0.026445 C\n0.880308 0.350092 0.208139 C\n0.503964 0.869513 0.252386 C\n0.247495 0.794400 0.422908 C\n0.573973 0.817284 0.483007 C\n0.426027 0.182716 0.516993 C\n0.752505 0.205600 0.577092 C\n0.496036 0.130487 0.747614 C\n0.119692 0.649908 0.791861 C\n0.002063 0.227118 0.973555 C\n0.377645 0.146431 0.073962 Cl\n0.031545 0.064378 0.295792 Cl\n0.207345 0.409529 0.474060 Cl\n0.792655 0.590471 0.525940 Cl\n0.968455 0.935622 0.704208 Cl\n0.622355 0.853569 0.926038 Cl\n0.916464 0.113014 0.004035 H\n0.087687 0.726799 0.083577 H\n0.875768 0.778523 0.085308 H\n0.799607 0.384858 0.131885 H\n0.426394 0.770120 0.173714 H\n0.801686 0.230595 0.228107 H\n0.466863 0.968048 0.231452 H\n0.659824 0.900447 0.244626 H\n0.920128 0.428273 0.306863 H\n0.158758 0.678048 0.371591 H\n0.198387 0.879291 0.382959 H\n0.720918 0.840365 0.448399 H\n0.768427 0.203601 0.464180 H\n0.231573 0.796399 0.535820 H\n0.279082 0.159635 0.551601 H\n0.801613 0.120709 0.617041 H\n0.841242 0.321952 0.628409 H\n0.079872 0.571727 0.693137 H\n0.340176 0.099553 0.755374 H\n0.533137 0.031952 0.768548 H\n0.198314 0.769405 0.771893 H\n0.573606 0.229880 0.826286 H\n0.200393 0.615142 0.868115 H\n0.124232 0.221477 0.914692 H\n0.912313 0.273201 0.916423 H\n0.083536 0.886986 0.995965 H\n0.489418 0.459824 0.237759 N\n0.449078 0.830043 0.392148 N\n0.550922 0.169957 0.607852 N\n0.510582 0.540176 0.762241 N\n0.195842 0.518615 0.087193 O\n0.608261 0.571402 0.205967 O\n0.471331 0.217177 0.394009 O\n0.528669 0.782823 0.605991 O\n0.391739 0.428598 0.794033 O\n0.804158 0.481385 0.912807 O\n0.296080 0.289376 0.268177 Ru\n0.703920 0.710624 0.731823 Ru\n0.097466 0.361166 0.127063 S\n0.902534 0.638834 0.872937 S\n",
"nsites": 56,
"nelements": 7,
"elements": [
"C",
"Cl",
"H",
"N",
"O",
"Ru",
"S"
],
"chemical_system": "C-Cl-H-N-O-Ru-S",
"density": 2.0827053500623314,
"density_atomic": 0.0903575252554491,
"volume": 619.7602229773647,
"volume_molar": 6.664791607533351,
"formula_full": "H26 Ru2 C10 S2 N4 Cl6 O6",
"formula_reduced": "H13RuC5SN2(ClO)3",
"formula_anonymous": "ABC2D3E3F5G13",
"formation_energy": -0.4639187580388671,
"spacegroup": 2
},
{
"id": "oqmd-1557739",
"created_at": "2022-09-04T15:55:40.180459Z",
"updated_at": "2022-09-04T15:55:40.180489Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.612582 -1.957385 0.000000\n7.612582 1.957385 0.000000\n-1.581269 0.000000 9.691694\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.391046 0.391046 0.052200 Er\n0.608954 0.608954 0.947800 Er\n0.905213 0.905213 0.179618 N\n0.094787 0.094787 0.820382 N\n0.801856 0.801856 0.319742 Nd\n0.198144 0.198144 0.680258 Nd\n0.539604 0.539604 0.133591 O\n0.460396 0.460396 0.866409 O\n0.213550 0.213550 0.141146 S\n0.786450 0.786450 0.858854 S\n0.625388 0.625388 0.466259 Se\n0.374612 0.374612 0.533741 Se\n0.051479 0.051479 0.251045 Y\n0.948521 0.948521 0.748955 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"N",
"Nd",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-N-Nd-O-S-Se-Y",
"density": 6.225723906717069,
"density_atomic": 0.04847190707351167,
"volume": 288.8270927481322,
"volume_molar": 12.423981484505912,
"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.43464536503366,
"spacegroup": 12
},
{
"id": "oqmd-1557812",
"created_at": "2022-09-04T15:55:40.313916Z",
"updated_at": "2022-09-04T15:55:40.313943Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.629398 -1.956618 0.000000\n7.629398 1.956618 0.000000\n-1.696155 0.000000 9.758579\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051586 0.051586 0.249508 Er\n0.948414 0.948414 0.750492 Er\n0.388540 0.388540 0.051733 Gd\n0.611460 0.611460 0.948267 Gd\n0.906235 0.906235 0.185273 N\n0.093765 0.093765 0.814727 N\n0.803987 0.803987 0.324512 Nd\n0.196013 0.196013 0.675488 Nd\n0.540261 0.540261 0.136862 O\n0.459739 0.459739 0.863138 O\n0.213723 0.213723 0.146015 S\n0.786277 0.786277 0.853985 S\n0.624615 0.624615 0.462155 Se\n0.375385 0.375385 0.537845 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Gd",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Er-Gd-N-Nd-O-S-Se",
"density": 6.950897288553001,
"density_atomic": 0.04805240646798902,
"volume": 291.3485718832074,
"volume_molar": 12.532443643611808,
"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.437650352533659,
"spacegroup": 12
},
{
"id": "oqmd-1557800",
"created_at": "2022-09-04T15:55:40.120860Z",
"updated_at": "2022-09-04T15:55:40.120891Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.750026 -1.933228 0.000000\n7.750026 1.933228 0.000000\n-1.726737 0.000000 9.622929\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.055413 0.055413 0.254631 Er\n0.944587 0.944587 0.745369 Er\n0.395070 0.395070 0.058315 Ho\n0.604930 0.604930 0.941685 Ho\n0.911497 0.911497 0.192902 N\n0.088503 0.088503 0.807098 N\n0.812256 0.812256 0.336653 Nd\n0.187744 0.187744 0.663347 Nd\n0.541323 0.541323 0.135353 O\n0.458677 0.458677 0.864647 O\n0.629263 0.629263 0.455866 S\n0.370737 0.370737 0.544134 S\n0.216266 0.216266 0.143513 Se\n0.783734 0.783734 0.856487 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Er-Ho-N-Nd-O-S-Se",
"density": 7.111580174507388,
"density_atomic": 0.04855170910028217,
"volume": 288.35236203700674,
"volume_molar": 12.403560804752393,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4284322205098485,
"spacegroup": 12
}
]
}