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=6",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=4",
"results": [
{
"id": "oqmd-16432",
"created_at": "2022-09-04T14:49:21.104265Z",
"updated_at": "2022-09-04T14:49:21.104291Z",
"structure_string": "Mg2 H2 O3\n1.0\n3.206983 -0.189926 -0.498222\n-1.767159 3.015004 0.134748\n-2.200640 -0.537150 7.731626\nH Mg O\n2 2 3\ndirect\n0.625309 0.812659 0.449178 H\n0.447713 0.686142 0.833620 H\n0.370458 0.659028 0.180196 Mg\n0.426573 0.196857 0.595620 Mg\n0.749188 0.053996 0.024549 O\n0.131671 0.017827 0.218452 O\n0.249085 0.573487 0.698386 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"H",
"Mg",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.384785334603471,
"density_atomic": 0.10193310883741764,
"volume": 68.67248610228238,
"volume_molar": 5.907933966386975,
"formula_full": "Mg2 H2 O3",
"formula_reduced": "Mg2H2O3",
"formula_anonymous": "A2B2C3",
"formation_energy": -1.44507879004828,
"spacegroup": 1
},
{
"id": "oqmd-26131",
"created_at": "2022-09-04T14:49:21.557039Z",
"updated_at": "2022-09-04T14:49:21.557064Z",
"structure_string": "Bi12 Pt1 Cl12\n1.0\n8.961186 0.139421 0.043495\n0.157597 9.029162 -0.017059\n0.062147 0.001867 9.037811\nBi Cl Pt\n12 12 1\ndirect\n0.948886 0.707226 0.046945 Bi\n0.298438 0.948894 0.057313 Bi\n0.559462 0.481534 0.249797 Bi\n0.950882 0.054194 0.298012 Bi\n0.552836 0.744855 0.438087 Bi\n0.280244 0.529448 0.448970 Bi\n0.725202 0.460993 0.551308 Bi\n0.448634 0.251964 0.579309 Bi\n0.050322 0.945367 0.707047 Bi\n0.446120 0.522641 0.754182 Bi\n0.702527 0.051595 0.947786 Bi\n0.053277 0.293477 0.957929 Bi\n0.351494 0.248088 0.031797 Cl\n0.253619 0.641857 0.081778 Cl\n0.644565 0.078137 0.252917 Cl\n0.991337 0.358138 0.255198 Cl\n0.927800 0.751551 0.356545 Cl\n0.255500 0.994595 0.359278 Cl\n0.746214 0.007113 0.644555 Cl\n0.077938 0.247447 0.647207 Cl\n0.014467 0.640732 0.749729 Cl\n0.356736 0.918828 0.751565 Cl\n0.748690 0.358189 0.920927 Cl\n0.651532 0.752298 0.971729 Cl\n0.000779 0.000444 0.002191 Pt\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Bi",
"Cl",
"Pt"
],
"chemical_system": "Bi-Cl-Pt",
"density": 7.105776642390359,
"density_atomic": 0.03419764335745815,
"volume": 731.04452662665,
"volume_molar": 17.609812164693018,
"formula_full": "Bi12 Pt1 Cl12",
"formula_reduced": "Bi12PtCl12",
"formula_anonymous": "AB12C12",
"formation_energy": -0.781647366697179,
"spacegroup": 1
},
{
"id": "oqmd-20003",
"created_at": "2022-09-04T14:49:21.734460Z",
"updated_at": "2022-09-04T14:49:21.734491Z",
"structure_string": "Na2 Mg2 F6\n1.0\n-2.873445 0.122879 -0.031999\n-1.752711 7.518213 2.211998\n-0.019720 -2.446791 -5.698361\nF Mg Na\n6 2 2\ndirect\n0.406215 0.054866 0.100830 F\n0.487590 0.946037 0.416665 F\n0.762228 0.303836 0.566574 F\n0.078698 0.775509 0.580170 F\n0.200866 0.689767 0.947349 F\n0.723736 0.241843 0.953960 F\n0.947690 0.996545 0.255007 Mg\n0.403988 0.003917 0.761029 Mg\n0.854737 0.518273 0.008962 Na\n0.134244 0.469403 0.500452 Na\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"Mg",
"Na"
],
"chemical_system": "F-Mg-Na",
"density": 3.26208109384154,
"density_atomic": 0.09418312159714438,
"volume": 106.17613676868402,
"volume_molar": 6.394076409740268,
"formula_full": "Na2 Mg2 F6",
"formula_reduced": "NaMgF3",
"formula_anonymous": "ABC3",
"formation_energy": -3.34347362348233,
"spacegroup": 1
},
{
"id": "oqmd-23327",
"created_at": "2022-09-04T14:49:24.515993Z",
"updated_at": "2022-09-04T14:49:24.516016Z",
"structure_string": "Li1 H3 C2 O5\n1.0\n4.911963 0.007943 0.099705\n1.191953 5.935377 -0.030519\n-0.430715 -0.231479 3.219922\nC H Li O\n2 3 1 5\ndirect\n0.243125 0.309674 0.213338 C\n0.008316 0.195350 0.989699 C\n0.494500 0.650473 0.317703 H\n0.537163 0.902262 0.376319 H\n0.644871 0.270440 0.628803 H\n0.876169 0.698640 0.910638 Li\n0.008772 0.993340 0.004274 O\n0.229334 0.515399 0.177086 O\n0.641380 0.744380 0.375680 O\n0.433910 0.181818 0.426198 O\n0.819111 0.342495 0.792126 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"C",
"H",
"Li",
"O"
],
"chemical_system": "C-H-Li-O",
"density": 2.0127557087338626,
"density_atomic": 0.11697518299136875,
"volume": 94.03704032514023,
"volume_molar": 5.14822084992537,
"formula_full": "Li1 H3 C2 O5",
"formula_reduced": "LiH3C2O5",
"formula_anonymous": "AB2C3D5",
"formation_energy": -1.43576718644966,
"spacegroup": 1
},
{
"id": "oqmd-26302",
"created_at": "2022-09-04T14:49:25.390873Z",
"updated_at": "2022-09-04T14:49:25.390893Z",
"structure_string": "Cr2 Cl4 O4\n1.0\n6.335946 -0.387753 0.311844\n-0.291799 5.108395 -0.285821\n-1.679253 -0.312467 7.017992\nCl Cr O\n4 2 4\ndirect\n0.546985 0.123960 0.102704 Cl\n0.751431 0.833429 0.452060 Cl\n0.299122 0.010673 0.467979 Cl\n0.976576 0.191403 0.831746 Cl\n0.007942 0.728377 0.319712 Cr\n0.283322 0.266790 0.748875 Cr\n0.962818 0.768598 0.100291 O\n0.040720 0.430607 0.357773 O\n0.382939 0.568414 0.750405 O\n0.481244 0.077746 0.868456 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cl",
"Cr",
"O"
],
"chemical_system": "Cl-Cr-O",
"density": 2.2532883988202403,
"density_atomic": 0.04380097183186114,
"volume": 228.30543665531022,
"volume_molar": 13.748874758115416,
"formula_full": "Cr2 Cl4 O4",
"formula_reduced": "Cr(ClO)2",
"formula_anonymous": "AB2C2",
"formation_energy": -1.066183887451,
"spacegroup": 1
},
{
"id": "oqmd-25018",
"created_at": "2022-09-04T14:49:26.616452Z",
"updated_at": "2022-09-04T14:49:26.616470Z",
"structure_string": "Hg1 H3 I1 O6\n1.0\n4.952134 0.259758 0.016207\n2.566150 4.830237 -0.239822\n1.539878 1.768300 5.363630\nH Hg I O\n3 1 1 6\ndirect\n0.702916 0.880315 0.297885 H\n0.401569 0.180466 0.329631 H\n0.877670 0.307995 0.388671 H\n0.314281 0.896004 0.010209 Hg\n0.080608 0.543340 0.680201 I\n0.813371 0.551568 0.060695 O\n0.844371 0.280344 0.239535 O\n0.170103 0.556629 0.339588 O\n0.475339 0.965774 0.358423 O\n0.805420 0.347634 0.673191 O\n0.847063 0.095516 0.860309 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"H",
"Hg",
"I",
"O"
],
"chemical_system": "H-Hg-I-O",
"density": 5.590822531186358,
"density_atomic": 0.08683309895957118,
"volume": 126.6798044962269,
"volume_molar": 6.9353055829596295,
"formula_full": "Hg1 H3 I1 O6",
"formula_reduced": "HgH3IO6",
"formula_anonymous": "ABC3D6",
"formation_energy": -0.481747680838149,
"spacegroup": 1
},
{
"id": "oqmd-20770",
"created_at": "2022-09-04T14:49:28.153061Z",
"updated_at": "2022-09-04T14:49:28.153091Z",
"structure_string": "Al2 H6 O6\n1.0\n5.020986 -0.008985 0.021466\n-1.190160 4.920161 -0.033786\n-2.259549 -1.294485 4.041141\nAl H O\n2 6 6\ndirect\n0.330785 0.000000 0.170741 Al\n0.690798 0.002323 0.849755 Al\n0.550759 0.599830 0.074178 H\n0.183438 0.431897 0.300755 H\n0.107309 0.774566 0.476431 H\n0.888400 0.217340 0.516132 H\n0.842460 0.580861 0.716246 H\n0.314297 0.236726 0.739232 H\n0.553634 0.794871 0.071433 O\n0.098812 0.218476 0.249472 O\n0.283124 0.777894 0.436460 O\n0.734050 0.233562 0.583351 O\n0.927665 0.795300 0.783894 O\n0.477466 0.237521 0.957016 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.594689648023975,
"density_atomic": 0.14022322317511002,
"volume": 99.8408086976925,
"volume_molar": 4.294681454069546,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"formation_energy": -1.91863836345554,
"spacegroup": 1
},
{
"id": "oqmd-24843",
"created_at": "2022-09-04T14:49:39.878420Z",
"updated_at": "2022-09-04T14:49:39.878435Z",
"structure_string": "Hg1 H4 C2 N4 Cl2\n1.0\n6.812583 -0.011543 -0.094093\n1.349210 6.694186 0.007494\n-0.390120 -0.218900 3.828155\nC Cl H Hg N\n2 2 4 1 4\ndirect\n0.471396 0.990620 0.960440 C\n0.424554 0.661455 0.968480 C\n0.013739 0.290033 0.409244 Cl\n0.914999 0.784770 0.508941 Cl\n0.350369 0.390997 0.023642 H\n0.182738 0.598752 0.180525 H\n0.684755 0.660140 0.741695 H\n0.626651 0.424910 0.791021 H\n0.957432 0.042184 0.958601 Hg\n0.366930 0.860934 0.026711 N\n0.307026 0.542088 0.057089 N\n0.593232 0.576512 0.827644 N\n0.551441 0.124265 0.912457 N\n",
"nsites": 13,
"nelements": 5,
"elements": [
"C",
"Cl",
"H",
"Hg",
"N"
],
"chemical_system": "C-Cl-H-Hg-N",
"density": 3.3849207049877426,
"density_atomic": 0.0745264377268215,
"volume": 174.4347428445704,
"volume_molar": 8.080542883418504,
"formula_full": "Hg1 H4 C2 N4 Cl2",
"formula_reduced": "HgH4C2(N2Cl)2",
"formula_anonymous": "AB2C2D4E4",
"formation_energy": -0.329956922408865,
"spacegroup": 1
},
{
"id": "oqmd-25416",
"created_at": "2022-09-04T14:49:39.637091Z",
"updated_at": "2022-09-04T14:49:39.637120Z",
"structure_string": "N4 O4 F4\n1.0\n3.321185 0.008261 -0.026570\n0.010211 4.118001 0.000380\n-0.071854 0.001059 8.791873\nF N O\n4 4 4\ndirect\n0.014476 0.640829 0.128620 F\n0.013166 0.074062 0.360899 F\n0.465249 0.409126 0.627451 F\n0.507469 0.917356 0.883257 F\n0.799179 0.025166 0.090146 N\n0.177920 0.557551 0.421535 N\n0.685897 0.965813 0.571775 N\n0.326340 0.447978 0.926197 N\n0.546153 0.051125 0.164451 O\n0.464766 0.564525 0.327994 O\n0.999178 0.926493 0.655969 O\n0.000202 0.419970 0.841705 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"N",
"O"
],
"chemical_system": "F-N-O",
"density": 2.7071682009736944,
"density_atomic": 0.09980479491664457,
"volume": 120.23470425466247,
"volume_molar": 6.033919277154569,
"formula_full": "N4 O4 F4",
"formula_reduced": "NOF",
"formula_anonymous": "ABC",
"formation_energy": -0.259889636784456,
"spacegroup": 1
},
{
"id": "oqmd-20537",
"created_at": "2022-09-04T14:51:14.812569Z",
"updated_at": "2022-09-04T14:51:14.812604Z",
"structure_string": "Zn2 W2 O8\n1.0\n-1.675497 -0.179626 3.168300\n-3.480242 0.251098 -4.542549\n2.589187 -7.875245 1.083606\nO W Zn\n8 2 2\ndirect\n0.893257 0.629819 0.093335 O\n0.578062 0.936618 0.222239 O\n0.265149 0.284795 0.244814 O\n0.734384 0.800603 0.449913 O\n0.481371 0.182348 0.520055 O\n0.165928 0.867343 0.689188 O\n0.049062 0.367921 0.768348 O\n0.745704 0.986630 0.911119 O\n0.130946 0.990828 0.319931 W\n0.730565 0.006561 0.686418 W\n0.788770 0.291760 0.125196 Zn\n0.436806 0.654776 0.969449 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"O",
"W",
"Zn"
],
"chemical_system": "O-W-Zn",
"density": 7.140408577477324,
"density_atomic": 0.08236426933733335,
"volume": 145.69424456195287,
"volume_molar": 7.311593738949539,
"formula_full": "Zn2 W2 O8",
"formula_reduced": "ZnWO4",
"formula_anonymous": "ABC4",
"formation_energy": -1.93359640308584,
"spacegroup": 1
},
{
"id": "oqmd-20409",
"created_at": "2022-09-04T14:51:15.735798Z",
"updated_at": "2022-09-04T14:51:15.735823Z",
"structure_string": "La2 Al1 Ni9 H2\n1.0\n5.049778 0.048401 0.036697\n-2.482946 4.368642 -0.039261\n0.060051 -0.038633 8.135987\nAl H La Ni\n1 2 2 9\ndirect\n0.503804 0.495787 0.753302 Al\n0.159441 0.311655 0.246301 H\n0.209813 0.795713 0.654860 H\n0.005456 0.995912 0.008182 La\n0.993058 0.006584 0.483217 La\n0.671521 0.328628 0.000532 Ni\n0.344688 0.673967 0.001113 Ni\n0.516682 0.511596 0.248902 Ni\n0.501774 0.004239 0.250467 Ni\n0.994047 0.509371 0.250883 Ni\n0.347460 0.671292 0.499652 Ni\n0.657324 0.336217 0.501001 Ni\n0.997590 0.483450 0.753916 Ni\n0.520444 0.005184 0.753972 Ni\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Al",
"H",
"La",
"Ni"
],
"chemical_system": "Al-H-La-Ni",
"density": 7.684330296455967,
"density_atomic": 0.07758415302886335,
"volume": 180.44922130930053,
"volume_molar": 7.762075791121424,
"formula_full": "La2 Al1 Ni9 H2",
"formula_reduced": "La2AlNi9H2",
"formula_anonymous": "AB2C2D9",
"formation_energy": -0.343050085312024,
"spacegroup": 1
},
{
"id": "oqmd-21041",
"created_at": "2022-09-04T14:53:30.567558Z",
"updated_at": "2022-09-04T14:53:30.567573Z",
"structure_string": "Mg4 B8 H31\n1.0\n7.870394 0.000715 0.018707\n0.000713 8.040096 0.005027\n-0.052024 0.006181 9.728545\nB H Mg\n8 31 4\ndirect\n0.883031 0.242874 0.150487 B\n0.884655 0.785430 0.165535 B\n0.611736 0.505731 0.349113 B\n0.155323 0.504050 0.350322 B\n0.386120 0.256850 0.647381 B\n0.385802 0.715400 0.661273 B\n0.105129 0.994014 0.843507 B\n0.657251 0.994443 0.853493 B\n0.881466 0.371751 0.081923 H\n0.882941 0.661596 0.090754 H\n0.751671 0.168860 0.122136 H\n0.016905 0.172415 0.123458 H\n0.753458 0.861886 0.141083 H\n0.017903 0.858647 0.141422 H\n0.628918 0.512668 0.224348 H\n0.137867 0.511531 0.225479 H\n0.882730 0.258667 0.275467 H\n0.885059 0.760100 0.289333 H\n0.538969 0.373810 0.371263 H\n0.229348 0.372654 0.372236 H\n0.535795 0.632824 0.380632 H\n0.230160 0.631684 0.382569 H\n0.742095 0.503572 0.418946 H\n0.025124 0.500379 0.419594 H\n0.384493 0.127099 0.580126 H\n0.383606 0.840976 0.588255 H\n0.518701 0.328056 0.617833 H\n0.253336 0.329271 0.619835 H\n0.518320 0.642234 0.634783 H\n0.253666 0.640297 0.637032 H\n0.108438 0.988767 0.718924 H\n0.641759 0.986952 0.728493 H\n0.387602 0.242206 0.772574 H\n0.387336 0.738088 0.785486 H\n0.728396 0.126923 0.877588 H\n0.730692 0.866691 0.888431 H\n0.092689 0.128415 0.898825 H\n0.089114 0.865261 0.907029 H\n0.522720 0.997231 0.920746 H\n0.888852 0.006039 0.008246 Mg\n0.883445 0.509900 0.251364 Mg\n0.384919 0.493908 0.504436 Mg\n0.383904 0.989847 0.751042 Mg\n",
"nsites": 43,
"nelements": 3,
"elements": [
"B",
"H",
"Mg"
],
"chemical_system": "B-H-Mg",
"density": 0.5798076844322174,
"density_atomic": 0.06984856867387917,
"volume": 615.6174824535873,
"volume_molar": 8.62170961314496,
"formula_full": "Mg4 B8 H31",
"formula_reduced": "Mg4B8H31",
"formula_anonymous": "A4B8C31",
"formation_energy": -0.178463986148282,
"spacegroup": 1
}
]
}