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=-structure_string&page=73",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-structure_string&page=71",
"results": [
{
"id": "oqmd-757300",
"created_at": "2022-09-04T15:24:16.719086Z",
"updated_at": "2022-09-04T15:24:16.719102Z",
"structure_string": "Zr6 Nb6\n1.0\n7.338620 -1.734191 0.000000\n-0.000089 6.901379 0.000000\n0.000000 0.000000 4.853407\nNb Zr\n6 6\ndirect\n0.616589 0.163313 0.000000 Nb\n0.302737 0.323792 0.000000 Nb\n0.606635 0.642330 0.000000 Nb\n0.615554 0.413262 0.499999 Nb\n0.919501 0.731767 0.499999 Nb\n0.605634 0.892225 0.499999 Nb\n0.943859 0.496597 0.000000 Zr\n0.309395 0.831980 0.000000 Zr\n0.937608 0.973064 0.000000 Zr\n0.284580 0.082441 0.499999 Zr\n0.912806 0.223561 0.499999 Zr\n0.278308 0.558975 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.46328678936894,
"density_atomic": 0.04881862905334824,
"volume": 245.8078039612007,
"volume_molar": 12.335743294673636,
"formula_full": "Zr6 Nb6",
"formula_reduced": "ZrNb",
"formula_anonymous": "AB",
"formation_energy": 0.0856966975000001,
"spacegroup": 11
},
{
"id": "oqmd-757321",
"created_at": "2022-09-04T15:24:18.526638Z",
"updated_at": "2022-09-04T15:24:18.526655Z",
"structure_string": "Zr6 Nb6\n1.0\n7.296150 -1.662025 0.000000\n0.031704 6.798911 0.000000\n0.000000 0.000000 4.935374\nNb Zr\n6 6\ndirect\n0.592820 0.145296 0.000000 Nb\n0.299821 0.329763 0.000000 Nb\n0.291860 0.818150 0.000000 Nb\n0.589170 0.392587 0.500001 Nb\n0.296111 0.576966 0.500001 Nb\n0.597127 0.904004 0.500001 Nb\n0.962050 0.478396 0.000000 Zr\n0.611318 0.654572 0.000000 Zr\n0.957101 0.998858 0.000000 Zr\n0.277669 0.067638 0.500001 Zr\n0.926590 0.243591 0.500001 Zr\n0.931571 0.723494 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.48534018740882,
"density_atomic": 0.04896288408315739,
"volume": 245.08360209377142,
"volume_molar": 12.299399581471016,
"formula_full": "Zr6 Nb6",
"formula_reduced": "ZrNb",
"formula_anonymous": "AB",
"formation_energy": 0.0949639416666663,
"spacegroup": 11
},
{
"id": "oqmd-757296",
"created_at": "2022-09-04T15:24:18.211112Z",
"updated_at": "2022-09-04T15:24:18.211153Z",
"structure_string": "Zr6 Nb6\n1.0\n5.703747 -0.000581 0.000000\n-0.000836 8.958844 0.000000\n0.000000 0.000000 4.841138\nNb Zr\n6 6\ndirect\n0.525840 0.139612 0.000000 Nb\n0.025844 0.693762 0.000000 Nb\n0.798903 0.215512 0.499998 Nb\n0.321129 0.295878 0.499998 Nb\n0.821048 0.537415 0.499998 Nb\n0.298854 0.617825 0.499998 Nb\n0.002740 0.036063 0.000000 Zr\n0.045412 0.366949 0.000000 Zr\n0.545399 0.466372 0.000000 Zr\n0.502723 0.797317 0.000000 Zr\n0.806003 0.856304 0.499998 Zr\n0.306049 0.976992 0.499998 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.4159383549053475,
"density_atomic": 0.04850891488537233,
"volume": 247.37720949553855,
"volume_molar": 12.41450313665118,
"formula_full": "Zr6 Nb6",
"formula_reduced": "ZrNb",
"formula_anonymous": "AB",
"formation_energy": 0.142786945833334,
"spacegroup": 26
},
{
"id": "oqmd-757318",
"created_at": "2022-09-04T15:24:16.559404Z",
"updated_at": "2022-09-04T15:24:16.559439Z",
"structure_string": "Zr6 Nb6\n1.0\n5.684905 0.000038 0.000000\n0.000023 9.003832 0.000000\n0.000000 0.000000 4.822968\nNb Zr\n6 6\ndirect\n0.029782 0.043900 0.000000 Nb\n0.529767 0.122734 0.000000 Nb\n0.797066 0.203014 0.499999 Nb\n0.821268 0.535961 0.499999 Nb\n0.321255 0.630743 0.499999 Nb\n0.297053 0.963620 0.499999 Nb\n0.013121 0.362556 0.000000 Zr\n0.530598 0.464233 0.000000 Zr\n0.030613 0.702464 0.000000 Zr\n0.513119 0.804112 0.000000 Zr\n0.308159 0.287636 0.499999 Zr\n0.808145 0.879026 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.431232037834829,
"density_atomic": 0.04860895346821996,
"volume": 246.868100294434,
"volume_molar": 12.388953742723992,
"formula_full": "Zr6 Nb6",
"formula_reduced": "ZrNb",
"formula_anonymous": "AB",
"formation_energy": 0.149175985833333,
"spacegroup": 26
},
{
"id": "oqmd-1483724",
"created_at": "2022-09-04T15:52:39.537337Z",
"updated_at": "2022-09-04T15:52:39.537373Z",
"structure_string": "Zr6 Nb4 Ga6\n1.0\n8.006017 0.000000 0.000000\n-4.003008 6.933414 0.000000\n0.000000 0.000000 5.474548\nGa Nb Zr\n6 4 6\ndirect\n0.602974 0.000000 0.250000 Ga\n0.397026 0.397026 0.250000 Ga\n0.000000 0.602974 0.250000 Ga\n0.397026 0.000000 0.750000 Ga\n0.000000 0.397026 0.750000 Ga\n0.602974 0.602974 0.750000 Ga\n0.666667 0.333333 0.000000 Nb\n0.333333 0.666667 0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666667 0.500000 Nb\n0.247328 0.000000 0.250000 Zr\n0.000000 0.247328 0.250000 Zr\n0.752672 0.752672 0.250000 Zr\n0.752672 0.000000 0.750000 Zr\n0.247328 0.247328 0.750000 Zr\n0.000000 0.752672 0.750000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ga",
"Nb",
"Zr"
],
"chemical_system": "Ga-Nb-Zr",
"density": 7.307494131487494,
"density_atomic": 0.05265117573304238,
"volume": 303.88685109568894,
"volume_molar": 11.437808702571242,
"formula_full": "Zr6 Nb4 Ga6",
"formula_reduced": "Zr3Nb2Ga3",
"formula_anonymous": "A2B3C3",
"formation_energy": -0.4972237993749999,
"spacegroup": 193
},
{
"id": "oqmd-320806",
"created_at": "2022-09-04T14:50:43.632960Z",
"updated_at": "2022-09-04T14:50:43.632976Z",
"structure_string": "Zr6 Nb2\n1.0\n6.287910 0.000000 0.000000\n-3.143955 5.445489 0.000000\n0.000000 0.000000 5.138520\nNb Zr\n2 6\ndirect\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666666 0.750000 Nb\n0.170328 0.340656 0.250000 Zr\n0.170329 0.829672 0.250000 Zr\n0.659343 0.829672 0.250000 Zr\n0.340656 0.170328 0.750000 Zr\n0.829672 0.170328 0.750000 Zr\n0.829671 0.659344 0.750000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 6.919340257763553,
"density_atomic": 0.04546830177271971,
"volume": 175.94675165105636,
"volume_molar": 13.244701308842798,
"formula_full": "Zr6 Nb2",
"formula_reduced": "Zr3Nb",
"formula_anonymous": "AB3",
"formation_energy": 0.132235874999999,
"spacegroup": 194
},
{
"id": "oqmd-757311",
"created_at": "2022-09-04T15:22:00.407403Z",
"updated_at": "2022-09-04T15:22:00.407431Z",
"structure_string": "Zr6 Nb2\n1.0\n5.440926 -3.141520 0.000000\n-0.000173 6.282742 0.000000\n0.000000 0.000000 5.166921\nNb Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.333356 0.666641 0.500000 Nb\n0.496240 0.503762 0.000000 Zr\n0.007515 0.503764 0.000000 Zr\n0.496236 0.992483 0.000000 Zr\n0.325817 0.162878 0.500000 Zr\n0.837120 0.162881 0.500000 Zr\n0.837120 0.674181 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 6.892852403342215,
"density_atomic": 0.045294245039956785,
"volume": 176.6228798590796,
"volume_molar": 13.295598049349328,
"formula_full": "Zr6 Nb2",
"formula_reduced": "Zr3Nb",
"formula_anonymous": "AB3",
"formation_energy": 0.131815068749999,
"spacegroup": 194
},
{
"id": "oqmd-757314",
"created_at": "2022-09-04T15:22:03.612630Z",
"updated_at": "2022-09-04T15:22:03.612657Z",
"structure_string": "Zr6 Nb2\n1.0\n5.264313 -3.041141 0.000000\n0.171486 6.379345 0.000000\n0.000000 0.000000 5.139971\nNb Zr\n2 6\ndirect\n0.977151 0.454814 0.000000 Nb\n0.856200 0.211839 0.499999 Nb\n0.485863 0.472155 0.000000 Zr\n0.490091 0.974814 0.000000 Zr\n0.984209 0.974863 0.000000 Zr\n0.347490 0.194496 0.499999 Zr\n0.849140 0.691785 0.499999 Zr\n0.343258 0.691836 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 6.945045397527706,
"density_atomic": 0.04563721513849835,
"volume": 175.29553404435083,
"volume_molar": 13.195679757680661,
"formula_full": "Zr6 Nb2",
"formula_reduced": "Zr3Nb",
"formula_anonymous": "AB3",
"formation_energy": 0.117725892499999,
"spacegroup": 63
},
{
"id": "oqmd-757323",
"created_at": "2022-09-04T15:22:01.134148Z",
"updated_at": "2022-09-04T15:22:01.134168Z",
"structure_string": "Zr6 Nb2\n1.0\n5.247722 0.000000 0.000000\n0.000000 6.363297 0.000000\n0.000000 0.000000 5.187654\nNb Zr\n2 6\ndirect\n0.940297 0.000000 0.000000 Nb\n0.393037 0.500000 0.499999 Nb\n0.441172 0.249933 0.000000 Zr\n0.952615 0.500000 0.000000 Zr\n0.441172 0.750066 0.000000 Zr\n0.380716 0.000000 0.499999 Zr\n0.892158 0.250065 0.499999 Zr\n0.892158 0.749935 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.027840953325073,
"density_atomic": 0.046181280493892723,
"volume": 173.23036335161746,
"volume_molar": 13.04022040011732,
"formula_full": "Zr6 Nb2",
"formula_reduced": "Zr3Nb",
"formula_anonymous": "AB3",
"formation_energy": 0.1037358525,
"spacegroup": 59
},
{
"id": "oqmd-16711",
"created_at": "2022-09-04T15:04:09.396296Z",
"updated_at": "2022-09-04T15:04:09.396322Z",
"structure_string": "Zr6 N8\n1.0\n3.386014 3.386014 -3.386014\n3.386014 -3.386014 3.386014\n-3.386014 -3.386014 -3.386014\nN Zr\n8 6\ndirect\n0.499999 0.360035 0.000000 N\n0.500001 0.860035 0.000000 N\n0.139965 0.639965 0.139965 N\n0.000000 0.000000 0.360034 N\n0.360034 0.499999 0.499999 N\n0.860035 0.499999 0.499999 N\n0.639965 0.139964 0.639965 N\n0.000000 0.000000 0.860035 N\n0.874999 0.249999 0.124999 Zr\n0.375000 0.124999 0.250000 Zr\n0.624999 0.750000 0.375000 Zr\n0.250000 0.875001 0.625000 Zr\n0.125001 0.375000 0.750000 Zr\n0.750000 0.625000 0.874999 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"N",
"Zr"
],
"chemical_system": "N-Zr",
"density": 7.05131668547268,
"density_atomic": 0.09015748661065631,
"volume": 155.28383195129186,
"volume_molar": 6.679579241163322,
"formula_full": "Zr6 N8",
"formula_reduced": "Zr3N4",
"formula_anonymous": "A3B4",
"formation_energy": -1.55069096519629,
"spacegroup": 220
},
{
"id": "oqmd-427989",
"created_at": "2022-09-04T15:16:14.374378Z",
"updated_at": "2022-09-04T15:16:14.374403Z",
"structure_string": "Zr6 N4\n1.0\n-5.660865 0.000000 0.000000\n2.830432 -4.902453 0.000000\n-2.830432 1.634152 5.245110\nN Zr\n4 6\ndirect\n0.661279 0.338722 0.016166 N\n0.838721 0.161278 0.483834 N\n0.161279 0.838724 0.516167 N\n0.338724 0.661278 0.983833 N\n0.575382 0.750002 0.250000 Zr\n0.924620 0.424620 0.250000 Zr\n0.250000 0.075382 0.250000 Zr\n0.750000 0.924620 0.750001 Zr\n0.075381 0.575383 0.750001 Zr\n0.424617 0.250001 0.750001 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"N",
"Zr"
],
"chemical_system": "N-Zr",
"density": 6.883075746382782,
"density_atomic": 0.06869880183261057,
"volume": 145.56294627038326,
"volume_molar": 8.76600551880565,
"formula_full": "Zr6 N4",
"formula_reduced": "Zr3N2",
"formula_anonymous": "A2B3",
"formation_energy": -1.4724978191374,
"spacegroup": 167
},
{
"id": "oqmd-319973",
"created_at": "2022-09-04T14:50:41.568764Z",
"updated_at": "2022-09-04T14:50:41.568780Z",
"structure_string": "Zr6 N2\n1.0\n5.721525 -0.000471 0.000004\n-2.861170 4.954734 0.000000\n0.000004 0.000002 4.884405\nN Zr\n2 6\ndirect\n0.666674 0.333330 0.249999 N\n0.333332 0.666675 0.749999 N\n0.659286 0.829641 0.249999 Zr\n0.170361 0.829635 0.250000 Zr\n0.170357 0.340715 0.250000 Zr\n0.340715 0.170358 0.749999 Zr\n0.829640 0.659287 0.750001 Zr\n0.829636 0.170362 0.750001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"N",
"Zr"
],
"chemical_system": "N-Zr",
"density": 6.900231084900611,
"density_atomic": 0.057778574338884614,
"volume": 138.45962956922685,
"volume_molar": 10.42279223554178,
"formula_full": "Zr6 N2",
"formula_reduced": "Zr3N",
"formula_anonymous": "AB3",
"formation_energy": 0.579881237414124,
"spacegroup": 194
}
]
}