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=formula_anonymous&page=26",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=24",
"results": [
{
"id": "oqmd-18969",
"created_at": "2022-09-04T15:15:44.764511Z",
"updated_at": "2022-09-04T15:15:44.764536Z",
"structure_string": "Rb26\n1.0\n-5.645204 -8.214843 0.000000\n-5.645204 8.214843 0.000000\n0.000000 0.000000 -26.124952\nRb\n26\ndirect\n0.951550 0.679824 0.044556 Rb\n0.386799 0.604998 0.078233 Rb\n0.393504 0.104796 0.086233 Rb\n0.932098 0.152079 0.101125 Rb\n0.722978 0.475540 0.181642 Rb\n0.596465 0.866082 0.242438 Rb\n0.110873 0.889128 0.250000 Rb\n0.133918 0.403535 0.257562 Rb\n0.524460 0.277022 0.318357 Rb\n0.847921 0.067901 0.398875 Rb\n0.895205 0.606497 0.413768 Rb\n0.395002 0.613201 0.421767 Rb\n0.320177 0.048451 0.455444 Rb\n0.048451 0.320177 0.544556 Rb\n0.613201 0.395002 0.578233 Rb\n0.606497 0.895205 0.586233 Rb\n0.067901 0.847921 0.601125 Rb\n0.277022 0.524460 0.681643 Rb\n0.403535 0.133918 0.742438 Rb\n0.889128 0.110873 0.750000 Rb\n0.866082 0.596465 0.757562 Rb\n0.475540 0.722978 0.818357 Rb\n0.152079 0.932098 0.898875 Rb\n0.104796 0.393504 0.913768 Rb\n0.604998 0.386799 0.921767 Rb\n0.679824 0.951550 0.955445 Rb\n",
"nsites": 26,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5228620543171714,
"density_atomic": 0.010730227819518035,
"volume": 2423.061321466689,
"volume_molar": 56.123139799938514,
"formula_full": "Rb26",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"formation_energy": 0.0301864007692311,
"spacegroup": 20
},
{
"id": "oqmd-22408",
"created_at": "2022-09-04T14:49:02.995050Z",
"updated_at": "2022-09-04T14:49:02.995067Z",
"structure_string": "Si8\n1.0\n0.000000 -3.864531 0.000000\n-0.374592 0.000000 6.349365\n-6.931828 -1.932265 0.410319\nSi\n8\ndirect\n0.944308 0.125974 0.111383 Si\n0.440797 0.346429 0.118409 Si\n0.787123 0.942742 0.425754 Si\n0.272878 0.414196 0.454246 Si\n0.727123 0.585803 0.545754 Si\n0.212878 0.057257 0.574246 Si\n0.559204 0.653570 0.881591 Si\n0.055693 0.874025 0.888617 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.2012313286913043,
"density_atomic": 0.047199177195641505,
"volume": 169.4944801016307,
"volume_molar": 12.75899521518799,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"formation_energy": 0.0692182724999997,
"spacegroup": 12
},
{
"id": "oqmd-2562",
"created_at": "2022-09-04T14:48:54.060075Z",
"updated_at": "2022-09-04T14:48:54.060102Z",
"structure_string": "Kr2\n1.0\n3.933791 0.000000 0.000000\n-1.966896 3.406720 0.000000\n0.000000 0.000000 6.429020\nKr\n2\ndirect\n0.333300 0.666600 0.250001 Kr\n0.666701 0.333400 0.750001 Kr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 3.230131829198556,
"density_atomic": 0.023213332723349345,
"volume": 86.15738307960758,
"volume_molar": 25.942594420931957,
"formula_full": "Kr2",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 194
},
{
"id": "oqmd-4177",
"created_at": "2022-09-04T14:48:53.571025Z",
"updated_at": "2022-09-04T14:48:53.571052Z",
"structure_string": "He1\n1.0\n1.704771 -1.704771 0.000000\n-1.704771 0.000000 -1.704771\n1.704771 1.704771 0.000000\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.6707541417110473,
"density_atomic": 0.1009187488072218,
"volume": 9.908961534097413,
"volume_molar": 5.967316114376016,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"formation_energy": 0.030611045,
"spacegroup": 225
},
{
"id": "oqmd-636454",
"created_at": "2022-09-04T15:15:50.763003Z",
"updated_at": "2022-09-04T15:15:50.763031Z",
"structure_string": "Ca1\n1.0\n2.694297 -2.694297 0.000000\n-2.694297 0.000000 -2.694297\n2.694297 2.694297 0.000000\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7013307052244475,
"density_atomic": 0.02556428212413885,
"volume": 39.11707730121468,
"volume_molar": 23.55685456277157,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0087009099999999,
"spacegroup": 225
},
{
"id": "oqmd-585645",
"created_at": "2022-09-04T15:16:20.450127Z",
"updated_at": "2022-09-04T15:16:20.450162Z",
"structure_string": "Cl16\n1.0\n9.910957 0.000000 0.000000\n0.000000 9.910957 0.000000\n0.000000 0.000000 6.755701\nCl\n16\ndirect\n0.062315 0.186990 0.179306 Cl\n0.313009 0.437684 0.179306 Cl\n0.686991 0.562316 0.179306 Cl\n0.937684 0.813010 0.179306 Cl\n0.186990 0.062315 0.320691 Cl\n0.437684 0.313009 0.320691 Cl\n0.562316 0.686991 0.320691 Cl\n0.813010 0.937684 0.320691 Cl\n0.937684 0.186990 0.679306 Cl\n0.686991 0.437684 0.679306 Cl\n0.313009 0.562316 0.679306 Cl\n0.062315 0.813010 0.679306 Cl\n0.813010 0.062315 0.820692 Cl\n0.562316 0.313009 0.820692 Cl\n0.437684 0.686991 0.820692 Cl\n0.186990 0.937684 0.820692 Cl\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 1.4194512025396435,
"density_atomic": 0.02411117520830129,
"volume": 663.5927059453877,
"volume_molar": 24.976554265702585,
"formula_full": "Cl16",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"formation_energy": 0.061280835,
"spacegroup": 138
},
{
"id": "oqmd-690473",
"created_at": "2022-09-04T15:17:06.473045Z",
"updated_at": "2022-09-04T15:17:06.473066Z",
"structure_string": "Sn1\n1.0\n-3.275132 0.000000 -0.000000\n0.000000 -3.275132 -0.000000\n1.637566 1.637566 2.562590\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.171329190137016,
"density_atomic": 0.03638004703413895,
"volume": 27.487595028714573,
"volume_molar": 16.55341664167954,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"formation_energy": 0.0673037700000001,
"spacegroup": 139
},
{
"id": "oqmd-752498",
"created_at": "2022-09-04T15:21:50.181988Z",
"updated_at": "2022-09-04T15:21:50.182016Z",
"structure_string": "Mg4\n1.0\n0.000000 -3.193517 0.000000\n-5.523290 0.000000 0.000000\n0.000000 0.000000 -5.187242\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500019 0.000000 Mg\n0.500000 0.166656 0.500000 Mg\n0.000000 0.666653 0.500000 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7644165625045798,
"density_atomic": 0.043717609143591386,
"volume": 91.49631186055755,
"volume_molar": 13.775091726128379,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 5.51008333298242e-05,
"spacegroup": 194
},
{
"id": "oqmd-752496",
"created_at": "2022-09-04T15:21:49.892415Z",
"updated_at": "2022-09-04T15:21:49.892447Z",
"structure_string": "Mg4\n1.0\n0.000000 -3.193517 0.000000\n-5.523290 0.000000 0.000000\n0.000000 0.000000 -5.187242\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500019 0.000000 Mg\n0.500000 0.166656 0.500000 Mg\n0.000000 0.666653 0.500000 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7644165625045798,
"density_atomic": 0.043717609143591386,
"volume": 91.49631186055755,
"volume_molar": 13.775091726128379,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 5.5103333330031e-05,
"spacegroup": 194
},
{
"id": "oqmd-31750",
"created_at": "2022-09-04T14:49:03.792525Z",
"updated_at": "2022-09-04T14:49:03.792550Z",
"structure_string": "Mg150\n1.0\n13.786055 -7.959386 0.000000\n0.000000 15.918772 0.000000\n0.000000 0.000000 15.646185\nMg\n150\ndirect\n0.000000 0.000000 0.000000 Mg\n0.599934 0.199869 0.000000 Mg\n0.399827 0.199914 0.000000 Mg\n0.800087 0.199914 0.000000 Mg\n0.199926 0.200072 0.000000 Mg\n0.000146 0.200072 0.000000 Mg\n0.599934 0.400065 0.000000 Mg\n0.800131 0.400066 0.000000 Mg\n0.399956 0.400084 0.000000 Mg\n0.000128 0.400084 0.000000 Mg\n0.200104 0.400207 0.000000 Mg\n0.400017 0.599983 0.000000 Mg\n0.199967 0.599984 0.000000 Mg\n0.599916 0.600044 0.000000 Mg\n0.000128 0.600044 0.000000 Mg\n0.800087 0.600173 0.000000 Mg\n0.200104 0.799897 0.000000 Mg\n0.599793 0.799897 0.000000 Mg\n0.400017 0.800033 0.000000 Mg\n0.000146 0.800074 0.000000 Mg\n0.799928 0.800074 0.000000 Mg\n0.799928 0.999854 0.000000 Mg\n0.199926 0.999854 0.000000 Mg\n0.399956 0.999871 0.000000 Mg\n0.599916 0.999872 0.000000 Mg\n0.666666 0.333333 0.166525 Mg\n0.666652 0.133256 0.166555 Mg\n0.466604 0.133256 0.166555 Mg\n0.866744 0.333348 0.166555 Mg\n0.466604 0.333348 0.166555 Mg\n0.866744 0.533396 0.166555 Mg\n0.666652 0.533396 0.166555 Mg\n0.066685 0.133370 0.166648 Mg\n0.866631 0.933316 0.166648 Mg\n0.066685 0.933316 0.166648 Mg\n0.866692 0.133307 0.166742 Mg\n0.266615 0.133308 0.166742 Mg\n0.866692 0.733385 0.166742 Mg\n0.266605 0.333382 0.166761 Mg\n0.066777 0.333382 0.166761 Mg\n0.066777 0.733395 0.166761 Mg\n0.666618 0.733395 0.166761 Mg\n0.666618 0.933223 0.166761 Mg\n0.266605 0.933223 0.166761 Mg\n0.066718 0.533359 0.166772 Mg\n0.466641 0.533359 0.166772 Mg\n0.466641 0.933282 0.166772 Mg\n0.266692 0.533384 0.166933 Mg\n0.266692 0.733308 0.166933 Mg\n0.466616 0.733308 0.166933 Mg\n0.600036 0.200072 0.333210 Mg\n0.799928 0.399964 0.333210 Mg\n0.600036 0.399964 0.333210 Mg\n0.799992 0.200008 0.333238 Mg\n0.400016 0.200008 0.333238 Mg\n0.799992 0.599985 0.333238 Mg\n0.200009 0.200031 0.333301 Mg\n0.000000 0.200031 0.333301 Mg\n0.799969 0.799991 0.333301 Mg\n0.000000 0.799991 0.333301 Mg\n0.799969 0.000000 0.333301 Mg\n0.200009 0.000000 0.333301 Mg\n0.000000 0.000000 0.333370 Mg\n0.600106 0.000143 0.333410 Mg\n0.400037 0.000144 0.333410 Mg\n0.999857 0.399893 0.333410 Mg\n0.400037 0.399893 0.333410 Mg\n0.999857 0.599963 0.333410 Mg\n0.600106 0.599963 0.333410 Mg\n0.200050 0.400100 0.333510 Mg\n0.200050 0.799950 0.333510 Mg\n0.599900 0.799950 0.333510 Mg\n0.400030 0.599970 0.333579 Mg\n0.199940 0.599970 0.333579 Mg\n0.400030 0.800059 0.333579 Mg\n0.066682 0.133364 0.500000 Mg\n0.866620 0.133380 0.500000 Mg\n0.266761 0.133380 0.500000 Mg\n0.666649 0.133495 0.500000 Mg\n0.466846 0.133495 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.466846 0.333351 0.500000 Mg\n0.866505 0.333352 0.500000 Mg\n0.066611 0.333382 0.500000 Mg\n0.266771 0.333382 0.500000 Mg\n0.866505 0.533154 0.500000 Mg\n0.666649 0.533154 0.500000 Mg\n0.466725 0.533275 0.500000 Mg\n0.066549 0.533275 0.500000 Mg\n0.266700 0.533400 0.500000 Mg\n0.666618 0.733229 0.500000 Mg\n0.066611 0.733229 0.500000 Mg\n0.866620 0.733240 0.500000 Mg\n0.466600 0.733300 0.500000 Mg\n0.266700 0.733301 0.500000 Mg\n0.066682 0.933318 0.500000 Mg\n0.866636 0.933318 0.500000 Mg\n0.666618 0.933388 0.500000 Mg\n0.266771 0.933389 0.500000 Mg\n0.466725 0.933451 0.500000 Mg\n0.400030 0.599970 0.666421 Mg\n0.199940 0.599970 0.666421 Mg\n0.400030 0.800059 0.666421 Mg\n0.200050 0.400100 0.666490 Mg\n0.200050 0.799950 0.666490 Mg\n0.599900 0.799950 0.666490 Mg\n0.600106 0.000143 0.666590 Mg\n0.400037 0.000144 0.666590 Mg\n0.999857 0.399893 0.666590 Mg\n0.400037 0.399893 0.666590 Mg\n0.999857 0.599963 0.666590 Mg\n0.600106 0.599963 0.666590 Mg\n0.000000 0.000000 0.666630 Mg\n0.200009 0.200031 0.666699 Mg\n0.000000 0.200031 0.666699 Mg\n0.799969 0.799991 0.666699 Mg\n0.000000 0.799991 0.666699 Mg\n0.799969 0.000000 0.666699 Mg\n0.200009 0.000000 0.666699 Mg\n0.799992 0.200008 0.666763 Mg\n0.400016 0.200008 0.666763 Mg\n0.799992 0.599985 0.666763 Mg\n0.600036 0.200072 0.666790 Mg\n0.799928 0.399964 0.666790 Mg\n0.600036 0.399964 0.666790 Mg\n0.266692 0.533384 0.833066 Mg\n0.266692 0.733308 0.833066 Mg\n0.466616 0.733308 0.833066 Mg\n0.066718 0.533359 0.833228 Mg\n0.466641 0.533359 0.833228 Mg\n0.466641 0.933282 0.833228 Mg\n0.266605 0.333382 0.833239 Mg\n0.066777 0.333382 0.833239 Mg\n0.066777 0.733395 0.833239 Mg\n0.666618 0.733395 0.833239 Mg\n0.666618 0.933223 0.833239 Mg\n0.266605 0.933223 0.833239 Mg\n0.866692 0.133307 0.833258 Mg\n0.266615 0.133308 0.833258 Mg\n0.866692 0.733385 0.833258 Mg\n0.066685 0.133370 0.833351 Mg\n0.866631 0.933316 0.833351 Mg\n0.066685 0.933316 0.833351 Mg\n0.666652 0.133256 0.833445 Mg\n0.466604 0.133256 0.833445 Mg\n0.866744 0.333348 0.833445 Mg\n0.466604 0.333348 0.833445 Mg\n0.866744 0.533396 0.833445 Mg\n0.666652 0.533396 0.833445 Mg\n0.666666 0.333333 0.833475 Mg\n",
"nsites": 150,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7631040847243125,
"density_atomic": 0.04368508939070155,
"volume": 3433.665859269771,
"volume_molar": 13.78534608488594,
"formula_full": "Mg150",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 0.00021973596666,
"spacegroup": 194
},
{
"id": "oqmd-100324",
"created_at": "2022-09-04T15:16:20.807658Z",
"updated_at": "2022-09-04T15:16:20.807684Z",
"structure_string": "K8\n1.0\n0.000000 0.000000 -8.490439\n-6.008258 6.008258 4.245219\n6.008258 6.008258 -4.245219\nK\n8\ndirect\n0.002745 0.250911 0.245422 K\n0.251833 0.749088 0.245423 K\n0.497257 0.245422 0.250911 K\n0.751834 0.754578 0.250913 K\n0.502746 0.754577 0.749087 K\n0.248169 0.245423 0.749088 K\n0.997256 0.749087 0.754577 K\n0.748168 0.250913 0.754578 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8473048074302688,
"density_atomic": 0.013050666700938707,
"volume": 612.9955030898595,
"volume_molar": 46.14431506067687,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.1053905225,
"spacegroup": 140
},
{
"id": "oqmd-1215255",
"created_at": "2022-09-04T15:39:05.398749Z",
"updated_at": "2022-09-04T15:39:05.398775Z",
"structure_string": "Mn2\n1.0\n2.414475 0.000000 0.000000\n1.207237 2.171518 0.000000\n0.000000 0.000000 3.987478\nMn\n2\ndirect\n0.840672 0.318653 0.250000 Mn\n0.159329 0.681344 0.750000 Mn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 8.727057698976582,
"density_atomic": 0.09566334204655581,
"volume": 20.906649895491565,
"volume_molar": 6.295139424534475,
"formula_full": "Mn2",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"formation_energy": 0.0594517862068997,
"spacegroup": 63
}
]
}