HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=206",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=204",
"results": [
{
"id": "jvasp-94771",
"created_at": "2022-09-04T14:35:59.012622Z",
"updated_at": "2022-09-04T14:35:59.012638Z",
"structure_string": "Na1 Mg6 Al1\n1.0\n6.411641 0.013371 0.000000\n-3.194241 5.559329 0.000000\n0.000000 0.000000 5.133524\nNa Mg Al\n1 6 1\ndirect\n0.332480 0.167520 0.749999 Na\n0.163081 0.829264 0.250000 Mg\n0.670736 0.336919 0.250000 Mg\n0.666811 0.833189 0.250000 Mg\n0.329507 0.659644 0.749999 Mg\n0.840356 0.170493 0.749999 Mg\n0.834715 0.665285 0.749999 Mg\n0.162316 0.337684 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Na",
"density": 1.774751053070212,
"density_atomic": 0.043667943896639194,
"volume": 183.20074833236427,
"volume_molar": 13.79075867243541,
"formula_full": "Na1 Mg6 Al1",
"formula_reduced": "NaMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0001149999999999,
"spacegroup": 38
},
{
"id": "jvasp-94770",
"created_at": "2022-09-04T14:35:56.264042Z",
"updated_at": "2022-09-04T14:35:56.264079Z",
"structure_string": "Mg6 Al1 Cr1\n1.0\n6.215806 0.004033 0.000000\n-3.104410 5.385062 0.000000\n0.000000 0.000000 4.891166\nMg Al Cr\n6 1 1\ndirect\n0.171021 0.842709 0.250000 Mg\n0.657291 0.328979 0.250000 Mg\n0.668114 0.831885 0.250000 Mg\n0.330677 0.662323 0.750001 Mg\n0.837677 0.169323 0.750001 Mg\n0.833627 0.666372 0.750001 Mg\n0.175893 0.324106 0.250000 Al\n0.325703 0.174297 0.750001 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Mg",
"density": 2.279277409034602,
"density_atomic": 0.04884577580554837,
"volume": 163.78079512642898,
"volume_molar": 12.328887525450968,
"formula_full": "Mg6 Al1 Cr1",
"formula_reduced": "Mg6AlCr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2157168124999999,
"spacegroup": 38
},
{
"id": "jvasp-94768",
"created_at": "2022-09-04T14:35:53.633559Z",
"updated_at": "2022-09-04T14:35:53.633580Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.743757 -0.628020 0.000000\n-3.915788 6.782016 0.000000\n0.000000 0.000000 4.991130\nRb Mg Al\n1 6 1\ndirect\n0.276535 0.888232 0.250000 Rb\n0.722263 0.401485 0.250000 Mg\n0.722372 0.820864 0.250000 Mg\n0.293212 0.205069 0.750000 Mg\n0.293266 0.588136 0.750000 Mg\n0.773779 0.136885 0.750000 Mg\n0.814757 0.657405 0.750000 Mg\n0.103823 0.301925 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Rb",
"density": 1.985555286822194,
"density_atomic": 0.03703677883938211,
"volume": 216.00150581922108,
"volume_molar": 16.259893405191356,
"formula_full": "Rb1 Mg6 Al1",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94766",
"created_at": "2022-09-04T14:35:49.858067Z",
"updated_at": "2022-09-04T14:35:49.858082Z",
"structure_string": "Mg6 Al1 Mo1\n1.0\n6.154499 0.156648 0.000000\n-2.941589 5.094981 0.000000\n0.000000 0.000000 4.921030\nMg Al Mo\n6 1 1\ndirect\n0.656846 0.329097 0.250000 Mg\n0.656846 0.827749 0.250000 Mg\n0.332940 0.155431 0.750000 Mg\n0.332940 0.677510 0.750000 Mg\n0.848588 0.174295 0.750000 Mg\n0.857050 0.678526 0.750000 Mg\n0.161625 0.330812 0.250000 Al\n0.153165 0.826582 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Mo"
],
"chemical_system": "Al-Mg-Mo",
"density": 2.850186119922754,
"density_atomic": 0.05109320557334931,
"volume": 156.576591940688,
"volume_molar": 11.786578454848808,
"formula_full": "Mg6 Al1 Mo1",
"formula_reduced": "Mg6AlMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3937766249999999,
"spacegroup": 38
},
{
"id": "jvasp-94765",
"created_at": "2022-09-04T14:35:46.700536Z",
"updated_at": "2022-09-04T14:35:46.700557Z",
"structure_string": "Mg6 Al1 W1\n1.0\n6.159406 -0.035759 0.000000\n-3.110671 5.316322 0.000000\n0.000000 0.000000 4.801856\nMg Al W\n6 1 1\ndirect\n0.177320 0.847555 0.250000 Mg\n0.652445 0.322680 0.250000 Mg\n0.669351 0.830649 0.250000 Mg\n0.326928 0.667640 0.750001 Mg\n0.832361 0.173072 0.750001 Mg\n0.831211 0.668790 0.750001 Mg\n0.188907 0.311093 0.250000 Al\n0.321480 0.178520 0.750001 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"W"
],
"chemical_system": "Al-Mg-W",
"density": 3.7793032998463114,
"density_atomic": 0.05105150319802304,
"volume": 156.70449445864307,
"volume_molar": 11.796206541932358,
"formula_full": "Mg6 Al1 W1",
"formula_reduced": "Mg6AlW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6775721374999999,
"spacegroup": 38
},
{
"id": "jvasp-94764",
"created_at": "2022-09-04T14:35:42.701917Z",
"updated_at": "2022-09-04T14:35:42.701949Z",
"structure_string": "Mg6 Nb1 Al1\n1.0\n6.256500 -0.008453 0.000000\n-3.135571 5.414062 0.000000\n0.000000 0.000000 4.847631\nMg Nb Al\n6 1 1\ndirect\n0.172977 0.843371 0.250000 Mg\n0.656629 0.327023 0.250000 Mg\n0.668480 0.831520 0.250000 Mg\n0.327941 0.667000 0.750000 Mg\n0.833000 0.172059 0.750000 Mg\n0.832655 0.667346 0.750000 Mg\n0.324521 0.175479 0.750000 Nb\n0.183799 0.316201 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Al"
],
"chemical_system": "Al-Mg-Nb",
"density": 2.6892159038932926,
"density_atomic": 0.04875798154132501,
"volume": 164.0757009848648,
"volume_molar": 12.351087082831581,
"formula_full": "Mg6 Nb1 Al1",
"formula_reduced": "Mg6NbAl",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3136170624999999,
"spacegroup": 38
},
{
"id": "jvasp-94763",
"created_at": "2022-09-04T14:36:18.162670Z",
"updated_at": "2022-09-04T14:36:18.162693Z",
"structure_string": "Na1 Mg6 Al1\n1.0\n6.415825 -0.005889 0.000000\n-3.213012 5.565100 0.000000\n0.000000 0.000000 5.130390\nNa Mg Al\n1 6 1\ndirect\n0.168645 0.834322 0.250000 Na\n0.668651 0.336588 0.250000 Mg\n0.668651 0.832063 0.250000 Mg\n0.329961 0.171340 0.750000 Mg\n0.329961 0.658622 0.750000 Mg\n0.834341 0.167171 0.750000 Mg\n0.827267 0.663632 0.750000 Mg\n0.172528 0.336265 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Na",
"density": 1.7759021592620499,
"density_atomic": 0.043696266990471036,
"volume": 183.0820010721873,
"volume_molar": 13.781819763489786,
"formula_full": "Na1 Mg6 Al1",
"formula_reduced": "NaMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94762",
"created_at": "2022-09-04T14:36:14.453962Z",
"updated_at": "2022-09-04T14:36:14.453980Z",
"structure_string": "Mg6 Al1 Mo1\n1.0\n6.174605 -0.029192 0.000000\n-3.112583 5.332768 0.000000\n0.000000 0.000000 4.801894\nMg Al Mo\n6 1 1\ndirect\n0.176628 0.847613 0.250000 Mg\n0.652388 0.323372 0.250000 Mg\n0.668914 0.831087 0.250000 Mg\n0.327166 0.666338 0.749999 Mg\n0.833663 0.172835 0.749999 Mg\n0.831786 0.668215 0.749999 Mg\n0.187677 0.312324 0.250000 Al\n0.321781 0.178219 0.749999 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Mo"
],
"chemical_system": "Al-Mg-Mo",
"density": 2.8302557980766303,
"density_atomic": 0.0507359292452846,
"volume": 157.67918552006262,
"volume_molar": 11.869578126549635,
"formula_full": "Mg6 Al1 Mo1",
"formula_reduced": "Mg6AlMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3917241249999999,
"spacegroup": 38
},
{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8827946772816673,
"density_atomic": 0.03342510149449524,
"volume": 239.3410832669428,
"volume_molar": 18.016821163555125,
"formula_full": "Rb1 Ca1 Mg6",
"formula_reduced": "RbCaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-9476",
"created_at": "2022-09-04T14:38:30.441886Z",
"updated_at": "2022-09-04T14:38:30.441906Z",
"structure_string": "Ca2 Ti2 P2 O10\n1.0\n5.535560 -0.049955 0.007733\n-1.527625 5.326572 0.005198\n-1.616541 -2.132598 6.441040\nCa Ti P O\n2 2 2 10\ndirect\n0.336749 0.167788 0.757262 Ca\n0.669219 0.833352 0.259377 Ca\n0.002961 0.500567 0.508367 Ti\n0.002974 0.500538 0.008367 Ti\n0.682235 0.821873 0.758440 P\n0.323693 0.179237 0.258265 P\n0.671283 0.610038 0.872968 O\n0.894976 0.832974 0.644336 O\n0.334664 0.391072 0.143739 O\n0.110942 0.168148 0.372360 O\n0.593887 0.239892 0.422038 O\n0.264362 0.908759 0.095585 O\n0.412036 0.761237 0.594686 O\n0.741569 0.092336 0.921141 O\n0.922001 0.581170 0.258421 O\n0.083934 0.419935 0.758301 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"P",
"O"
],
"chemical_system": "Ca-O-P-Ti",
"density": 3.4846284134387715,
"density_atomic": 0.08439722462727997,
"volume": 189.57969377144983,
"volume_molar": 7.135472507058538,
"formula_full": "Ca2 Ti2 P2 O10",
"formula_reduced": "CaTiPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.312611469166667,
"spacegroup": 15
},
{
"id": "jvasp-94759",
"created_at": "2022-09-04T14:36:06.083094Z",
"updated_at": "2022-09-04T14:36:06.083116Z",
"structure_string": "Sr1 Mg6 Al1\n1.0\n6.520767 0.813220 0.000000\n-2.556114 6.053757 0.000000\n0.000000 0.000000 4.904290\nSr Mg Al\n1 6 1\ndirect\n0.384576 0.115425 0.750000 Sr\n0.101375 0.799831 0.250000 Mg\n0.700170 0.398626 0.250000 Mg\n0.626062 0.873939 0.250000 Mg\n0.295069 0.593376 0.750000 Mg\n0.906624 0.204931 0.750000 Mg\n0.809284 0.690717 0.750000 Mg\n0.176843 0.323157 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Sr",
"density": 2.1220497293853313,
"density_atomic": 0.03925571301599527,
"volume": 203.7919931995705,
"volume_molar": 15.340800860109704,
"formula_full": "Sr1 Mg6 Al1",
"formula_reduced": "SrMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94758",
"created_at": "2022-09-04T14:36:01.571212Z",
"updated_at": "2022-09-04T14:36:01.571239Z",
"structure_string": "Mg6 Al1 W1\n1.0\n6.126880 0.161724 0.000000\n-2.923384 5.063449 0.000000\n0.000000 0.000000 4.935946\nMg Al W\n6 1 1\ndirect\n0.656574 0.328922 0.250000 Mg\n0.656574 0.827651 0.250000 Mg\n0.333072 0.155071 0.750001 Mg\n0.333072 0.678002 0.750001 Mg\n0.848776 0.174388 0.750001 Mg\n0.857874 0.678937 0.750001 Mg\n0.160833 0.330416 0.250000 Al\n0.153227 0.826613 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"W"
],
"chemical_system": "Al-Mg-W",
"density": 3.809503890494561,
"density_atomic": 0.05145945816425293,
"volume": 155.4621887868481,
"volume_molar": 11.702689796651162,
"formula_full": "Mg6 Al1 W1",
"formula_reduced": "Mg6AlW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6798408874999999,
"spacegroup": 38
}
]
}