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=15",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-spacegroup&page=13",
"results": [
{
"id": "oqmd-1350529",
"created_at": "2022-09-04T15:46:58.628744Z",
"updated_at": "2022-09-04T15:46:58.628775Z",
"structure_string": "Er12 Nb12 Mo8 N48\n1.0\n-6.370413 6.370413 6.370413\n6.370413 -6.370413 6.370413\n6.370413 6.370413 -6.370413\nEr Mo N Nb\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Er\n0.375000 0.750000 0.125001 Er\n0.375000 0.125000 0.250000 Er\n0.875001 0.625000 0.250000 Er\n0.750000 0.125001 0.375000 Er\n0.125000 0.250000 0.375000 Er\n0.875000 0.750000 0.625000 Er\n0.250000 0.875001 0.625000 Er\n0.125001 0.375000 0.750000 Er\n0.625000 0.875000 0.750000 Er\n0.750000 0.625000 0.875000 Er\n0.625000 0.250000 0.875001 Er\n0.000000 0.000000 0.000000 Mo\n0.500001 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500001 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500001 Mo\n0.500001 0.500001 0.500001 Mo\n0.202796 0.118221 0.027362 N\n0.324567 0.909142 0.027363 N\n0.881779 0.409141 0.084575 N\n0.702797 0.675434 0.084575 N\n0.618221 0.415425 0.090858 N\n0.972638 0.675434 0.090859 N\n0.027362 0.202796 0.118221 N\n0.590859 0.915425 0.118222 N\n0.202797 0.584575 0.175434 N\n0.472637 0.590858 0.175434 N\n0.118221 0.027362 0.202796 N\n0.584575 0.175434 0.202797 N\n0.472637 0.381778 0.297204 N\n0.324567 0.915425 0.297204 N\n0.909142 0.027363 0.324567 N\n0.915425 0.297204 0.324567 N\n0.297204 0.472637 0.381778 N\n0.584575 0.909141 0.381779 N\n0.084575 0.881779 0.409141 N\n0.824567 0.527363 0.409141 N\n0.824567 0.797204 0.415425 N\n0.090858 0.618221 0.415425 N\n0.381778 0.297204 0.472637 N\n0.590858 0.175434 0.472637 N\n0.618221 0.702797 0.527363 N\n0.409141 0.824567 0.527363 N\n0.175434 0.202797 0.584575 N\n0.909141 0.381779 0.584575 N\n0.175434 0.472637 0.590858 N\n0.915425 0.118222 0.590859 N\n0.415425 0.090858 0.618221 N\n0.702797 0.527363 0.618221 N\n0.084575 0.702797 0.675434 N\n0.090859 0.972638 0.675434 N\n0.675434 0.084575 0.702797 N\n0.527363 0.618221 0.702797 N\n0.881779 0.972637 0.797203 N\n0.415425 0.824567 0.797204 N\n0.797204 0.415425 0.824567 N\n0.527363 0.409141 0.824567 N\n0.409141 0.084575 0.881779 N\n0.972637 0.797203 0.881779 N\n0.381779 0.584575 0.909141 N\n0.027363 0.324567 0.909142 N\n0.118222 0.590859 0.915425 N\n0.297204 0.324567 0.915425 N\n0.797203 0.881779 0.972637 N\n0.675434 0.090859 0.972638 N\n0.875000 0.249999 0.125000 Nb\n0.750000 0.875000 0.125000 Nb\n0.125000 0.875000 0.249999 Nb\n0.625000 0.375000 0.250000 Nb\n0.250000 0.625000 0.375000 Nb\n0.624999 0.750000 0.375000 Nb\n0.750000 0.375000 0.624999 Nb\n0.375000 0.250000 0.625000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.624999 0.750000 Nb\n0.249999 0.125000 0.875000 Nb\n0.125000 0.750000 0.875000 Nb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Er",
"Mo",
"N",
"Nb"
],
"chemical_system": "Er-Mo-N-Nb",
"density": 7.325294182505041,
"density_atomic": 0.07736191804503016,
"volume": 1034.1005241549763,
"volume_molar": 7.78437364556381,
"formula_full": "Er12 Nb12 Mo8 N48",
"formula_reduced": "Er3Nb3(MoN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.916821604706102,
"spacegroup": 230
},
{
"id": "oqmd-1350698",
"created_at": "2022-09-04T15:46:58.570731Z",
"updated_at": "2022-09-04T15:46:58.570766Z",
"structure_string": "Ho12 Ta12 W8 N48\n1.0\n-6.383264 6.383264 6.383264\n6.383264 -6.383264 6.383264\n6.383264 6.383264 -6.383264\nHo N Ta W\n12 48 12 8\ndirect\n0.374999 0.749999 0.125000 Ho\n0.250000 0.375000 0.125000 Ho\n0.375000 0.125000 0.250000 Ho\n0.875000 0.625000 0.250000 Ho\n0.749999 0.125000 0.374999 Ho\n0.125000 0.250000 0.375000 Ho\n0.875000 0.749999 0.625000 Ho\n0.250000 0.875000 0.625000 Ho\n0.125000 0.374999 0.749999 Ho\n0.625000 0.875000 0.749999 Ho\n0.625000 0.250000 0.875000 Ho\n0.749999 0.625000 0.875000 Ho\n0.200929 0.117586 0.025204 N\n0.324275 0.907617 0.025204 N\n0.882413 0.407617 0.083342 N\n0.700929 0.675725 0.083342 N\n0.617587 0.416658 0.092382 N\n0.974795 0.675724 0.092382 N\n0.025204 0.200929 0.117586 N\n0.592382 0.916657 0.117586 N\n0.200929 0.583342 0.175724 N\n0.474795 0.592382 0.175724 N\n0.117586 0.025204 0.200929 N\n0.583342 0.175724 0.200929 N\n0.474795 0.382413 0.299071 N\n0.324276 0.916658 0.299071 N\n0.907617 0.025204 0.324275 N\n0.916658 0.299071 0.324276 N\n0.299071 0.474795 0.382413 N\n0.583343 0.907618 0.382413 N\n0.824276 0.525205 0.407617 N\n0.083342 0.882413 0.407617 N\n0.824275 0.799071 0.416658 N\n0.092382 0.617587 0.416658 N\n0.382413 0.299071 0.474795 N\n0.592382 0.175724 0.474795 N\n0.617586 0.700928 0.525204 N\n0.407617 0.824276 0.525205 N\n0.175724 0.200929 0.583342 N\n0.907618 0.382413 0.583343 N\n0.916657 0.117586 0.592382 N\n0.175724 0.474795 0.592382 N\n0.700928 0.525204 0.617586 N\n0.416658 0.092382 0.617587 N\n0.092382 0.974795 0.675724 N\n0.083342 0.700929 0.675725 N\n0.525204 0.617586 0.700928 N\n0.675725 0.083342 0.700929 N\n0.416658 0.824275 0.799071 N\n0.882413 0.974795 0.799071 N\n0.799071 0.416658 0.824275 N\n0.525205 0.407617 0.824276 N\n0.407617 0.083342 0.882413 N\n0.974795 0.799071 0.882413 N\n0.025204 0.324275 0.907617 N\n0.382413 0.583343 0.907618 N\n0.117586 0.592382 0.916657 N\n0.299071 0.324276 0.916658 N\n0.675724 0.092382 0.974795 N\n0.799071 0.882413 0.974795 N\n0.875000 0.250000 0.125000 Ta\n0.750000 0.875001 0.125000 Ta\n0.625000 0.375000 0.250000 Ta\n0.125000 0.875000 0.250000 Ta\n0.250000 0.625000 0.375000 Ta\n0.625000 0.749999 0.375000 Ta\n0.375000 0.250000 0.625000 Ta\n0.749999 0.375000 0.625000 Ta\n0.375000 0.625000 0.749999 Ta\n0.875001 0.125000 0.750000 Ta\n0.250000 0.125000 0.875000 Ta\n0.125000 0.750000 0.875001 Ta\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ho",
"N",
"Ta",
"W"
],
"chemical_system": "Ho-N-Ta-W",
"density": 10.045196668131679,
"density_atomic": 0.07689561530102391,
"volume": 1040.3714137252603,
"volume_molar": 7.831578870167142,
"formula_full": "Ho12 Ta12 W8 N48",
"formula_reduced": "Ho3Ta3(WN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.1190848942061,
"spacegroup": 230
},
{
"id": "oqmd-1350682",
"created_at": "2022-09-04T15:46:58.571992Z",
"updated_at": "2022-09-04T15:46:58.572027Z",
"structure_string": "Gd12 Ta12 W8 N48\n1.0\n-6.423903 6.423903 6.423903\n6.423903 -6.423903 6.423903\n6.423903 6.423903 -6.423903\nGd N Ta W\n12 48 12 8\ndirect\n0.374999 0.750000 0.125000 Gd\n0.250000 0.375000 0.125000 Gd\n0.375000 0.125000 0.250000 Gd\n0.875000 0.625000 0.250000 Gd\n0.750000 0.125000 0.374999 Gd\n0.125000 0.250000 0.375000 Gd\n0.875000 0.750000 0.625000 Gd\n0.250000 0.875000 0.625000 Gd\n0.125000 0.374999 0.750000 Gd\n0.625000 0.875000 0.750000 Gd\n0.750000 0.625000 0.875000 Gd\n0.625000 0.250000 0.875000 Gd\n0.198718 0.116569 0.022803 N\n0.324085 0.906233 0.022803 N\n0.883430 0.406234 0.082149 N\n0.698718 0.675915 0.082149 N\n0.616570 0.417852 0.093766 N\n0.977196 0.675915 0.093766 N\n0.593766 0.917851 0.116569 N\n0.022803 0.198718 0.116569 N\n0.198718 0.582148 0.175915 N\n0.477197 0.593766 0.175915 N\n0.116569 0.022803 0.198718 N\n0.582148 0.175915 0.198718 N\n0.477197 0.383430 0.301282 N\n0.324086 0.917852 0.301282 N\n0.906233 0.022803 0.324085 N\n0.917852 0.301282 0.324086 N\n0.301282 0.477197 0.383430 N\n0.582149 0.906234 0.383430 N\n0.082149 0.883430 0.406234 N\n0.824085 0.522804 0.406234 N\n0.824085 0.801282 0.417851 N\n0.093766 0.616570 0.417852 N\n0.593766 0.175915 0.477197 N\n0.383430 0.301282 0.477197 N\n0.616569 0.698718 0.522803 N\n0.406234 0.824085 0.522804 N\n0.175915 0.198718 0.582148 N\n0.906234 0.383430 0.582149 N\n0.917851 0.116569 0.593766 N\n0.175915 0.477197 0.593766 N\n0.698718 0.522803 0.616569 N\n0.417852 0.093766 0.616570 N\n0.093766 0.977196 0.675915 N\n0.082149 0.698718 0.675915 N\n0.522803 0.616569 0.698718 N\n0.675915 0.082149 0.698718 N\n0.417851 0.824085 0.801282 N\n0.883430 0.977196 0.801282 N\n0.801282 0.417851 0.824085 N\n0.522804 0.406234 0.824085 N\n0.406234 0.082149 0.883430 N\n0.977196 0.801282 0.883430 N\n0.022803 0.324085 0.906233 N\n0.383430 0.582149 0.906234 N\n0.116569 0.593766 0.917851 N\n0.301282 0.324086 0.917852 N\n0.801282 0.883430 0.977196 N\n0.675915 0.093766 0.977196 N\n0.875000 0.250000 0.125000 Ta\n0.750000 0.875001 0.125000 Ta\n0.625000 0.375000 0.250000 Ta\n0.125000 0.875000 0.250000 Ta\n0.250000 0.625000 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.375000 0.250000 0.625000 Ta\n0.750000 0.375000 0.625000 Ta\n0.375000 0.625000 0.750000 Ta\n0.875001 0.125000 0.750000 Ta\n0.250000 0.125000 0.875000 Ta\n0.125000 0.750000 0.875001 Ta\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Gd",
"N",
"Ta",
"W"
],
"chemical_system": "Gd-N-Ta-W",
"density": 9.711427205781106,
"density_atomic": 0.07544545326423374,
"volume": 1060.3687371300534,
"volume_molar": 7.982112240625776,
"formula_full": "Gd12 Ta12 W8 N48",
"formula_reduced": "Gd3Ta3(WN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.1210057525811,
"spacegroup": 230
},
{
"id": "oqmd-1350526",
"created_at": "2022-09-04T15:46:58.577484Z",
"updated_at": "2022-09-04T15:46:58.577510Z",
"structure_string": "Tm12 Nb12 Re8 N48\n1.0\n-6.345468 6.345468 6.345468\n6.345468 -6.345468 6.345468\n6.345468 6.345468 -6.345468\nN Nb Re Tm\n48 12 8 12\ndirect\n0.325861 0.909741 0.027198 N\n0.201337 0.117457 0.027199 N\n0.701338 0.674139 0.083880 N\n0.882543 0.409742 0.083881 N\n0.972801 0.674138 0.090257 N\n0.617457 0.416120 0.090258 N\n0.590257 0.916119 0.117456 N\n0.027199 0.201337 0.117457 N\n0.472801 0.590258 0.174138 N\n0.201337 0.583880 0.174138 N\n0.583880 0.174138 0.201337 N\n0.117457 0.027199 0.201337 N\n0.472801 0.382544 0.298663 N\n0.325862 0.916120 0.298663 N\n0.909741 0.027198 0.325861 N\n0.916120 0.298663 0.325862 N\n0.583880 0.909742 0.382543 N\n0.298663 0.472801 0.382544 N\n0.083881 0.882543 0.409742 N\n0.825862 0.527199 0.409742 N\n0.825861 0.798662 0.416119 N\n0.090258 0.617457 0.416120 N\n0.590258 0.174138 0.472801 N\n0.382544 0.298663 0.472801 N\n0.617456 0.701337 0.527198 N\n0.409742 0.825862 0.527199 N\n0.174138 0.201337 0.583880 N\n0.909742 0.382543 0.583880 N\n0.916119 0.117456 0.590257 N\n0.174138 0.472801 0.590258 N\n0.701337 0.527198 0.617456 N\n0.416120 0.090258 0.617457 N\n0.090257 0.972801 0.674138 N\n0.083880 0.701338 0.674139 N\n0.527198 0.617456 0.701337 N\n0.674139 0.083880 0.701338 N\n0.416119 0.825861 0.798662 N\n0.882543 0.972801 0.798663 N\n0.798662 0.416119 0.825861 N\n0.527199 0.409742 0.825862 N\n0.409742 0.083881 0.882543 N\n0.972801 0.798663 0.882543 N\n0.027198 0.325861 0.909741 N\n0.382543 0.583880 0.909742 N\n0.117456 0.590257 0.916119 N\n0.298663 0.325862 0.916120 N\n0.674138 0.090257 0.972801 N\n0.798663 0.882543 0.972801 N\n0.875000 0.250000 0.125000 Nb\n0.750000 0.875000 0.125000 Nb\n0.625000 0.375000 0.250000 Nb\n0.125000 0.875000 0.250000 Nb\n0.250000 0.625000 0.375000 Nb\n0.625000 0.750000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.375000 0.625000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 Nb\n0.250000 0.125000 0.875000 Nb\n0.125000 0.750000 0.875000 Nb\n0.000000 0.000000 0.000000 Re\n0.499999 0.000000 0.000000 Re\n0.000000 0.499999 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.499999 Re\n0.499999 0.499999 0.499999 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.375000 0.750000 0.124999 Tm\n0.250000 0.375000 0.125000 Tm\n0.375000 0.125000 0.250000 Tm\n0.875000 0.625000 0.250000 Tm\n0.750000 0.124999 0.375000 Tm\n0.125000 0.250000 0.375000 Tm\n0.875000 0.750000 0.625000 Tm\n0.250000 0.875000 0.625000 Tm\n0.124999 0.375000 0.750000 Tm\n0.625000 0.875000 0.750000 Tm\n0.750000 0.625000 0.875000 Tm\n0.625000 0.250000 0.875000 Tm\n",
"nsites": 80,
"nelements": 4,
"elements": [
"N",
"Nb",
"Re",
"Tm"
],
"chemical_system": "N-Nb-Re-Tm",
"density": 8.618008985830796,
"density_atomic": 0.07827787379327818,
"volume": 1022.0001658612974,
"volume_molar": 7.6932860694500995,
"formula_full": "Tm12 Nb12 Re8 N48",
"formula_reduced": "Tm3Nb3(ReN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.819920013331102,
"spacegroup": 230
},
{
"id": "oqmd-1350486",
"created_at": "2022-09-04T15:46:58.588711Z",
"updated_at": "2022-09-04T15:46:58.588728Z",
"structure_string": "Ce12 Nb12 Mo8 N48\n1.0\n-6.554372 6.554372 6.554372\n6.554372 -6.554372 6.554372\n6.554372 6.554372 -6.554372\nCe Mo N Nb\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Ce\n0.375000 0.750000 0.125001 Ce\n0.375000 0.125000 0.250000 Ce\n0.875001 0.625000 0.250000 Ce\n0.750000 0.125001 0.375000 Ce\n0.125000 0.250000 0.375000 Ce\n0.875000 0.750000 0.625000 Ce\n0.250000 0.875001 0.625000 Ce\n0.125001 0.375000 0.750000 Ce\n0.625000 0.875000 0.750000 Ce\n0.750000 0.625000 0.875000 Ce\n0.625000 0.250000 0.875001 Ce\n0.000000 0.000000 0.000000 Mo\n0.500001 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500001 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500001 Mo\n0.500001 0.500001 0.500001 Mo\n0.323421 0.903923 0.016825 N\n0.193404 0.112902 0.016825 N\n0.887098 0.403923 0.080502 N\n0.693404 0.676579 0.080502 N\n0.983175 0.676579 0.096077 N\n0.612902 0.419498 0.096077 N\n0.596077 0.919498 0.112902 N\n0.016825 0.193404 0.112902 N\n0.193404 0.580502 0.176579 N\n0.483175 0.596078 0.176579 N\n0.580502 0.176579 0.193404 N\n0.112902 0.016825 0.193404 N\n0.483175 0.387098 0.306596 N\n0.323421 0.919498 0.306596 N\n0.919498 0.306596 0.323421 N\n0.903923 0.016825 0.323421 N\n0.306596 0.483175 0.387098 N\n0.580502 0.903923 0.387098 N\n0.080502 0.887098 0.403923 N\n0.823421 0.516825 0.403924 N\n0.096077 0.612902 0.419498 N\n0.823421 0.806596 0.419498 N\n0.387098 0.306596 0.483175 N\n0.596078 0.176579 0.483175 N\n0.612902 0.693404 0.516824 N\n0.403924 0.823421 0.516825 N\n0.176579 0.193404 0.580502 N\n0.903923 0.387098 0.580502 N\n0.919498 0.112902 0.596077 N\n0.176579 0.483175 0.596078 N\n0.693404 0.516824 0.612902 N\n0.419498 0.096077 0.612902 N\n0.080502 0.693404 0.676579 N\n0.096077 0.983175 0.676579 N\n0.516824 0.612902 0.693404 N\n0.676579 0.080502 0.693404 N\n0.419498 0.823421 0.806596 N\n0.887099 0.983176 0.806597 N\n0.806596 0.419498 0.823421 N\n0.516825 0.403924 0.823421 N\n0.403923 0.080502 0.887098 N\n0.983176 0.806597 0.887099 N\n0.016825 0.323421 0.903923 N\n0.387098 0.580502 0.903923 N\n0.112902 0.596077 0.919498 N\n0.306596 0.323421 0.919498 N\n0.676579 0.096077 0.983175 N\n0.806597 0.887099 0.983176 N\n0.875000 0.250000 0.125000 Nb\n0.750000 0.875000 0.125000 Nb\n0.125000 0.875000 0.250000 Nb\n0.625000 0.375000 0.250000 Nb\n0.250000 0.625000 0.375000 Nb\n0.625000 0.750000 0.375000 Nb\n0.750000 0.375000 0.625000 Nb\n0.375000 0.250000 0.625000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 Nb\n0.250000 0.125000 0.875000 Nb\n0.125000 0.750000 0.875000 Nb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ce",
"Mo",
"N",
"Nb"
],
"chemical_system": "Ce-Mo-N-Nb",
"density": 6.245440739119668,
"density_atomic": 0.07102916936837093,
"volume": 1126.2978394848546,
"volume_molar": 8.478405158827103,
"formula_full": "Ce12 Nb12 Mo8 N48",
"formula_reduced": "Ce3Nb3(MoN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.875636050831105,
"spacegroup": 230
},
{
"id": "oqmd-1350684",
"created_at": "2022-09-04T15:46:58.605743Z",
"updated_at": "2022-09-04T15:46:58.605775Z",
"structure_string": "Tb12 Ta12 W8 N48\n1.0\n-6.409673 6.409673 6.409673\n6.409673 -6.409673 6.409673\n6.409673 6.409673 -6.409673\nN Ta Tb W\n48 12 12 8\ndirect\n0.199474 0.117012 0.023653 N\n0.324179 0.906641 0.023653 N\n0.882987 0.406640 0.082461 N\n0.699475 0.675822 0.082462 N\n0.617013 0.417538 0.093360 N\n0.976348 0.675822 0.093360 N\n0.023653 0.199474 0.117012 N\n0.593360 0.917538 0.117013 N\n0.199475 0.582462 0.175822 N\n0.476347 0.593359 0.175822 N\n0.117012 0.023653 0.199474 N\n0.582462 0.175822 0.199475 N\n0.476347 0.382987 0.300525 N\n0.324179 0.917538 0.300525 N\n0.906641 0.023653 0.324179 N\n0.917538 0.300525 0.324179 N\n0.300525 0.476347 0.382987 N\n0.582462 0.906640 0.382988 N\n0.082461 0.882987 0.406640 N\n0.824179 0.523653 0.406640 N\n0.093360 0.617013 0.417538 N\n0.824179 0.800526 0.417538 N\n0.382987 0.300525 0.476347 N\n0.593359 0.175822 0.476347 N\n0.617013 0.699475 0.523653 N\n0.406640 0.824179 0.523653 N\n0.175822 0.199475 0.582462 N\n0.906640 0.382988 0.582462 N\n0.175822 0.476347 0.593359 N\n0.917538 0.117013 0.593360 N\n0.417538 0.093360 0.617013 N\n0.699475 0.523653 0.617013 N\n0.082462 0.699475 0.675822 N\n0.093360 0.976348 0.675822 N\n0.523653 0.617013 0.699475 N\n0.675822 0.082462 0.699475 N\n0.882987 0.976347 0.800525 N\n0.417538 0.824179 0.800526 N\n0.523653 0.406640 0.824179 N\n0.800526 0.417538 0.824179 N\n0.406640 0.082461 0.882987 N\n0.976347 0.800525 0.882987 N\n0.382988 0.582462 0.906640 N\n0.023653 0.324179 0.906641 N\n0.300525 0.324179 0.917538 N\n0.117013 0.593360 0.917538 N\n0.800525 0.882987 0.976347 N\n0.675822 0.093360 0.976348 N\n0.874999 0.249999 0.124999 Ta\n0.750000 0.875000 0.125000 Ta\n0.124999 0.874999 0.249999 Ta\n0.625000 0.375000 0.250000 Ta\n0.250000 0.625000 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.375000 0.250000 0.625000 Ta\n0.750000 0.375000 0.625000 Ta\n0.375000 0.625000 0.750000 Ta\n0.875000 0.125000 0.750000 Ta\n0.249999 0.124999 0.874999 Ta\n0.125000 0.750000 0.875000 Ta\n0.375000 0.750000 0.125000 Tb\n0.250000 0.375000 0.125000 Tb\n0.375000 0.125000 0.250000 Tb\n0.875000 0.625000 0.250000 Tb\n0.750000 0.125000 0.375000 Tb\n0.125000 0.250000 0.375000 Tb\n0.874999 0.750000 0.625000 Tb\n0.250000 0.875000 0.625000 Tb\n0.125000 0.375000 0.750000 Tb\n0.625000 0.874999 0.750000 Tb\n0.750000 0.625000 0.874999 Tb\n0.625000 0.250000 0.875000 Tb\n0.000000 0.000000 0.000000 W\n0.500001 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500001 0.000000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.000000 0.500001 W\n0.500001 0.500001 0.500001 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"N",
"Ta",
"Tb",
"W"
],
"chemical_system": "N-Ta-Tb-W",
"density": 9.807944763606928,
"density_atomic": 0.07594905493892154,
"volume": 1053.3376625204387,
"volume_molar": 7.929184589384323,
"formula_full": "Tb12 Ta12 W8 N48",
"formula_reduced": "Tb3Ta3(WN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.0233993285311,
"spacegroup": 230
},
{
"id": "oqmd-1350498",
"created_at": "2022-09-04T15:46:58.619751Z",
"updated_at": "2022-09-04T15:46:58.619783Z",
"structure_string": "Lu12 Mo8 W12 N48\n1.0\n-6.299439 6.299439 6.299439\n6.299439 -6.299439 6.299439\n6.299439 6.299439 -6.299439\nLu Mo N W\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Lu\n0.375000 0.750000 0.125000 Lu\n0.375000 0.125000 0.250000 Lu\n0.875000 0.625000 0.250000 Lu\n0.750000 0.125000 0.375000 Lu\n0.125000 0.250000 0.375000 Lu\n0.875000 0.750000 0.625000 Lu\n0.250000 0.875000 0.625000 Lu\n0.125000 0.375000 0.750000 Lu\n0.625000 0.875000 0.750000 Lu\n0.750000 0.625000 0.875000 Lu\n0.625000 0.250000 0.875000 Lu\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.208427 0.120376 0.027002 N\n0.318574 0.906626 0.027002 N\n0.879624 0.406626 0.088051 N\n0.708427 0.681426 0.088051 N\n0.620376 0.411949 0.093374 N\n0.972999 0.681426 0.093374 N\n0.027002 0.208427 0.120376 N\n0.593374 0.911949 0.120376 N\n0.208427 0.588052 0.181426 N\n0.472998 0.593374 0.181426 N\n0.120376 0.027002 0.208427 N\n0.588052 0.181426 0.208427 N\n0.472998 0.379624 0.291573 N\n0.318574 0.911949 0.291573 N\n0.911949 0.291573 0.318574 N\n0.906626 0.027002 0.318574 N\n0.291573 0.472998 0.379624 N\n0.588052 0.906626 0.379624 N\n0.818575 0.527002 0.406626 N\n0.088051 0.879624 0.406626 N\n0.093374 0.620376 0.411949 N\n0.818575 0.791573 0.411949 N\n0.379624 0.291573 0.472998 N\n0.593374 0.181426 0.472998 N\n0.620376 0.708427 0.527002 N\n0.406626 0.818575 0.527002 N\n0.181426 0.208427 0.588052 N\n0.906626 0.379624 0.588052 N\n0.911949 0.120376 0.593374 N\n0.181426 0.472998 0.593374 N\n0.411949 0.093374 0.620376 N\n0.708427 0.527002 0.620376 N\n0.093374 0.972999 0.681426 N\n0.088051 0.708427 0.681426 N\n0.681426 0.088051 0.708427 N\n0.527002 0.620376 0.708427 N\n0.411949 0.818575 0.791573 N\n0.879624 0.972999 0.791573 N\n0.527002 0.406626 0.818575 N\n0.791573 0.411949 0.818575 N\n0.406626 0.088051 0.879624 N\n0.972999 0.791573 0.879624 N\n0.027002 0.318574 0.906626 N\n0.379624 0.588052 0.906626 N\n0.291573 0.318574 0.911949 N\n0.120376 0.593374 0.911949 N\n0.681426 0.093374 0.972999 N\n0.791573 0.879624 0.972999 N\n0.875000 0.250000 0.125000 W\n0.750000 0.875000 0.125000 W\n0.625000 0.375000 0.250000 W\n0.125000 0.875000 0.250000 W\n0.250000 0.625000 0.375000 W\n0.625000 0.750000 0.375000 W\n0.375000 0.250000 0.625000 W\n0.750000 0.375000 0.625000 W\n0.875000 0.125000 0.750000 W\n0.375000 0.625000 0.750000 W\n0.250000 0.125000 0.875000 W\n0.125000 0.750000 0.875000 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Lu",
"Mo",
"N",
"W"
],
"chemical_system": "Lu-Mo-N-W",
"density": 9.541425104780535,
"density_atomic": 0.0800063340444857,
"volume": 999.9208307122011,
"volume_molar": 7.527079989256258,
"formula_full": "Lu12 Mo8 W12 N48",
"formula_reduced": "Lu3Mo2(WN4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.855758839081102,
"spacegroup": 230
},
{
"id": "oqmd-1350728",
"created_at": "2022-09-04T15:46:58.642929Z",
"updated_at": "2022-09-04T15:46:58.642956Z",
"structure_string": "Nd12 Mo12 W8 N48\n1.0\n-6.452831 6.452831 6.452831\n6.452831 -6.452831 6.452831\n6.452831 6.452831 -6.452831\nMo N Nd W\n12 48 12 8\ndirect\n0.875000 0.250000 0.124999 Mo\n0.750000 0.875000 0.125000 Mo\n0.124999 0.875000 0.250000 Mo\n0.625000 0.375000 0.250000 Mo\n0.250000 0.625000 0.375000 Mo\n0.625000 0.750000 0.375000 Mo\n0.750000 0.375000 0.625000 Mo\n0.375000 0.250000 0.625000 Mo\n0.875000 0.125000 0.750000 Mo\n0.375000 0.625000 0.750000 Mo\n0.250000 0.124999 0.875000 Mo\n0.125000 0.750000 0.875000 Mo\n0.319088 0.901267 0.014777 N\n0.195690 0.113511 0.014778 N\n0.695690 0.680912 0.082179 N\n0.886490 0.401267 0.082179 N\n0.985223 0.680912 0.098733 N\n0.613511 0.417820 0.098733 N\n0.598733 0.917820 0.113510 N\n0.014778 0.195690 0.113511 N\n0.485223 0.598733 0.180912 N\n0.195689 0.582179 0.180912 N\n0.582179 0.180912 0.195689 N\n0.113511 0.014778 0.195690 N\n0.485223 0.386490 0.304311 N\n0.319088 0.917821 0.304311 N\n0.901267 0.014777 0.319088 N\n0.917821 0.304311 0.319088 N\n0.304311 0.485223 0.386490 N\n0.582179 0.901268 0.386490 N\n0.082179 0.886490 0.401267 N\n0.819088 0.514778 0.401268 N\n0.098733 0.613511 0.417820 N\n0.819088 0.804310 0.417820 N\n0.598733 0.180912 0.485223 N\n0.386490 0.304311 0.485223 N\n0.613510 0.695689 0.514777 N\n0.401268 0.819088 0.514778 N\n0.180912 0.195689 0.582179 N\n0.901268 0.386490 0.582179 N\n0.917820 0.113510 0.598733 N\n0.180912 0.485223 0.598733 N\n0.695689 0.514777 0.613510 N\n0.417820 0.098733 0.613511 N\n0.098733 0.985223 0.680912 N\n0.082179 0.695690 0.680912 N\n0.514777 0.613510 0.695689 N\n0.680912 0.082179 0.695690 N\n0.417820 0.819088 0.804310 N\n0.886491 0.985223 0.804311 N\n0.804310 0.417820 0.819088 N\n0.514778 0.401268 0.819088 N\n0.401267 0.082179 0.886490 N\n0.985223 0.804311 0.886491 N\n0.014777 0.319088 0.901267 N\n0.386490 0.582179 0.901268 N\n0.113510 0.598733 0.917820 N\n0.304311 0.319088 0.917821 N\n0.680912 0.098733 0.985223 N\n0.804311 0.886491 0.985223 N\n0.250000 0.375000 0.125000 Nd\n0.375000 0.750000 0.125000 Nd\n0.375000 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.750000 0.125000 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.250000 0.875000 0.625000 Nd\n0.875000 0.750000 0.625000 Nd\n0.125000 0.375000 0.750000 Nd\n0.625000 0.875000 0.750000 Nd\n0.750000 0.625000 0.875000 Nd\n0.625000 0.250000 0.875000 Nd\n0.000000 0.000000 0.000000 W\n0.500001 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500001 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500001 W\n0.500001 0.500001 0.500001 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mo",
"N",
"Nd",
"W"
],
"chemical_system": "Mo-N-Nd-W",
"density": 7.7641478423983274,
"density_atomic": 0.07443533075136953,
"volume": 1074.7584405477783,
"volume_molar": 8.090433264971015,
"formula_full": "Nd12 Mo12 W8 N48",
"formula_reduced": "Nd3Mo3(WN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.842457080081104,
"spacegroup": 230
},
{
"id": "oqmd-1350535",
"created_at": "2022-09-04T15:46:58.653486Z",
"updated_at": "2022-09-04T15:46:58.653513Z",
"structure_string": "Yb12 Re12 W8 N48\n1.0\n-6.356958 6.356958 6.356958\n6.356958 -6.356958 6.356958\n6.356958 6.356958 -6.356958\nN Re W Yb\n48 12 8 12\ndirect\n0.196779 0.113841 0.014103 N\n0.317325 0.900263 0.014103 N\n0.696779 0.682676 0.082938 N\n0.886160 0.400263 0.082938 N\n0.985897 0.682676 0.099737 N\n0.613841 0.417062 0.099737 N\n0.599737 0.917062 0.113841 N\n0.014103 0.196779 0.113841 N\n0.196779 0.582938 0.182675 N\n0.485897 0.599737 0.182675 N\n0.113841 0.014103 0.196779 N\n0.582938 0.182675 0.196779 N\n0.485897 0.386160 0.303221 N\n0.317325 0.917062 0.303221 N\n0.900263 0.014103 0.317325 N\n0.917062 0.303221 0.317325 N\n0.303221 0.485897 0.386160 N\n0.582938 0.900263 0.386160 N\n0.817325 0.514104 0.400263 N\n0.082938 0.886160 0.400263 N\n0.817325 0.803221 0.417062 N\n0.099737 0.613841 0.417062 N\n0.386160 0.303221 0.485897 N\n0.599737 0.182675 0.485897 N\n0.613841 0.696779 0.514104 N\n0.400263 0.817325 0.514104 N\n0.182675 0.196779 0.582938 N\n0.900263 0.386160 0.582938 N\n0.917062 0.113841 0.599737 N\n0.182675 0.485897 0.599737 N\n0.696779 0.514104 0.613841 N\n0.417062 0.099737 0.613841 N\n0.082938 0.696779 0.682676 N\n0.099737 0.985897 0.682676 N\n0.682676 0.082938 0.696779 N\n0.514104 0.613841 0.696779 N\n0.417062 0.817325 0.803221 N\n0.886160 0.985897 0.803221 N\n0.803221 0.417062 0.817325 N\n0.514104 0.400263 0.817325 N\n0.985897 0.803221 0.886160 N\n0.400263 0.082938 0.886160 N\n0.014103 0.317325 0.900263 N\n0.386160 0.582938 0.900263 N\n0.303221 0.317325 0.917062 N\n0.113841 0.599737 0.917062 N\n0.803221 0.886160 0.985897 N\n0.682676 0.099737 0.985897 N\n0.875000 0.250000 0.125000 Re\n0.750000 0.875000 0.125000 Re\n0.625000 0.375000 0.250000 Re\n0.125000 0.875000 0.250000 Re\n0.250000 0.625000 0.375000 Re\n0.625000 0.750000 0.375000 Re\n0.375000 0.250000 0.625000 Re\n0.750000 0.375000 0.625000 Re\n0.875000 0.125000 0.750000 Re\n0.375000 0.625000 0.750000 Re\n0.250000 0.125000 0.875000 Re\n0.125000 0.750000 0.875000 Re\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n0.250000 0.375000 0.125000 Yb\n0.375000 0.750000 0.125000 Yb\n0.375000 0.125000 0.250000 Yb\n0.875000 0.625000 0.250000 Yb\n0.750000 0.125000 0.375000 Yb\n0.125000 0.250000 0.375000 Yb\n0.875000 0.750000 0.625000 Yb\n0.250000 0.875000 0.625000 Yb\n0.125000 0.375000 0.750000 Yb\n0.625000 0.875000 0.750000 Yb\n0.625000 0.250000 0.875000 Yb\n0.750000 0.625000 0.875000 Yb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"N",
"Re",
"W",
"Yb"
],
"chemical_system": "N-Re-W-Yb",
"density": 10.429666408027796,
"density_atomic": 0.07785418619493284,
"volume": 1027.5619579362685,
"volume_molar": 7.735153437891761,
"formula_full": "Yb12 Re12 W8 N48",
"formula_reduced": "Yb3Re3(WN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.671453707081103,
"spacegroup": 230
},
{
"id": "oqmd-1350711",
"created_at": "2022-09-04T15:46:58.665412Z",
"updated_at": "2022-09-04T15:46:58.665431Z",
"structure_string": "Eu12 Re12 W8 N48\n1.0\n-6.447683 6.447683 6.447683\n6.447683 -6.447683 6.447683\n6.447683 6.447683 -6.447683\nEu N Re W\n12 48 12 8\ndirect\n0.250000 0.375000 0.125000 Eu\n0.375000 0.750000 0.125000 Eu\n0.375000 0.125000 0.250000 Eu\n0.875000 0.625000 0.250000 Eu\n0.750000 0.125000 0.375000 Eu\n0.125000 0.250000 0.375000 Eu\n0.875000 0.750000 0.625000 Eu\n0.250000 0.875000 0.625000 Eu\n0.125000 0.375000 0.750000 Eu\n0.625000 0.875000 0.750000 Eu\n0.625000 0.250000 0.875000 Eu\n0.750000 0.625000 0.875000 Eu\n0.190985 0.111309 0.007684 N\n0.316699 0.896375 0.007684 N\n0.888691 0.396375 0.079676 N\n0.690985 0.683301 0.079676 N\n0.611310 0.420325 0.103625 N\n0.992315 0.683300 0.103625 N\n0.007684 0.190985 0.111309 N\n0.603625 0.920324 0.111309 N\n0.190985 0.579676 0.183301 N\n0.492316 0.603625 0.183301 N\n0.111309 0.007684 0.190985 N\n0.579676 0.183301 0.190985 N\n0.492316 0.388691 0.309015 N\n0.316700 0.920324 0.309015 N\n0.896375 0.007684 0.316699 N\n0.920324 0.309015 0.316700 N\n0.309015 0.492316 0.388691 N\n0.579676 0.896375 0.388691 N\n0.079676 0.888691 0.396375 N\n0.816700 0.507685 0.396375 N\n0.816699 0.809015 0.420324 N\n0.103625 0.611310 0.420325 N\n0.603625 0.183301 0.492316 N\n0.388691 0.309015 0.492316 N\n0.611309 0.690985 0.507684 N\n0.396375 0.816700 0.507685 N\n0.183301 0.190985 0.579676 N\n0.896375 0.388691 0.579676 N\n0.920324 0.111309 0.603625 N\n0.183301 0.492316 0.603625 N\n0.690985 0.507684 0.611309 N\n0.420325 0.103625 0.611310 N\n0.103625 0.992315 0.683300 N\n0.079676 0.690985 0.683301 N\n0.507684 0.611309 0.690985 N\n0.683301 0.079676 0.690985 N\n0.420324 0.816699 0.809015 N\n0.888691 0.992315 0.809015 N\n0.809015 0.420324 0.816699 N\n0.507685 0.396375 0.816700 N\n0.396375 0.079676 0.888691 N\n0.992315 0.809015 0.888691 N\n0.007684 0.316699 0.896375 N\n0.388691 0.579676 0.896375 N\n0.111309 0.603625 0.920324 N\n0.309015 0.316700 0.920324 N\n0.683300 0.103625 0.992315 N\n0.809015 0.888691 0.992315 N\n0.875000 0.250000 0.125000 Re\n0.750000 0.875000 0.125000 Re\n0.625000 0.375000 0.250000 Re\n0.125000 0.875000 0.250000 Re\n0.250000 0.625000 0.375000 Re\n0.625000 0.750000 0.375000 Re\n0.375000 0.250000 0.625000 Re\n0.750000 0.375000 0.625000 Re\n0.875000 0.125000 0.750000 Re\n0.375000 0.625000 0.750000 Re\n0.250000 0.125000 0.875000 Re\n0.125000 0.750000 0.875000 Re\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Eu",
"N",
"Re",
"W"
],
"chemical_system": "Eu-N-Re-W",
"density": 9.603871953316142,
"density_atomic": 0.0746137665315973,
"volume": 1072.1881995612932,
"volume_molar": 8.071085323711348,
"formula_full": "Eu12 Re12 W8 N48",
"formula_reduced": "Eu3Re3(WN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.707592073081104,
"spacegroup": 230
},
{
"id": "oqmd-1350544",
"created_at": "2022-09-04T15:46:58.688619Z",
"updated_at": "2022-09-04T15:46:58.688636Z",
"structure_string": "Y12 Re12 W8 N48\n1.0\n-6.358097 6.358097 6.358097\n6.358097 -6.358097 6.358097\n6.358097 6.358097 -6.358097\nN Re W Y\n48 12 8 12\ndirect\n0.200362 0.116932 0.018906 N\n0.318544 0.901974 0.018906 N\n0.700361 0.681455 0.083430 N\n0.883068 0.401974 0.083430 N\n0.616931 0.416570 0.098026 N\n0.981095 0.681456 0.098026 N\n0.018906 0.200362 0.116932 N\n0.598026 0.916571 0.116932 N\n0.200362 0.583430 0.181456 N\n0.481094 0.598026 0.181456 N\n0.583430 0.181456 0.200362 N\n0.116932 0.018906 0.200362 N\n0.481094 0.383068 0.299638 N\n0.318543 0.916570 0.299638 N\n0.916570 0.299638 0.318543 N\n0.901974 0.018906 0.318544 N\n0.299638 0.481094 0.383068 N\n0.583430 0.901974 0.383068 N\n0.818544 0.518905 0.401974 N\n0.083430 0.883068 0.401974 N\n0.098026 0.616931 0.416570 N\n0.818544 0.799639 0.416570 N\n0.598026 0.181456 0.481094 N\n0.383068 0.299638 0.481094 N\n0.401974 0.818544 0.518905 N\n0.616932 0.700362 0.518906 N\n0.901974 0.383068 0.583430 N\n0.181456 0.200362 0.583430 N\n0.916571 0.116932 0.598026 N\n0.181456 0.481094 0.598026 N\n0.416570 0.098026 0.616931 N\n0.700362 0.518906 0.616932 N\n0.083430 0.700361 0.681455 N\n0.098026 0.981095 0.681456 N\n0.681455 0.083430 0.700361 N\n0.518906 0.616932 0.700362 N\n0.416570 0.818544 0.799639 N\n0.883068 0.981095 0.799639 N\n0.518905 0.401974 0.818544 N\n0.799639 0.416570 0.818544 N\n0.401974 0.083430 0.883068 N\n0.981095 0.799639 0.883068 N\n0.383068 0.583430 0.901974 N\n0.018906 0.318544 0.901974 N\n0.299638 0.318543 0.916570 N\n0.116932 0.598026 0.916571 N\n0.681456 0.098026 0.981095 N\n0.799639 0.883068 0.981095 N\n0.875000 0.250000 0.125000 Re\n0.750000 0.875000 0.125000 Re\n0.625000 0.375000 0.250000 Re\n0.125000 0.875000 0.250000 Re\n0.250000 0.625000 0.375000 Re\n0.625000 0.750000 0.375000 Re\n0.375000 0.250000 0.625000 Re\n0.750000 0.375000 0.625000 Re\n0.875000 0.125000 0.750000 Re\n0.375000 0.625000 0.750000 Re\n0.250000 0.125000 0.875000 Re\n0.125000 0.750000 0.875000 Re\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n0.250000 0.375000 0.125000 Y\n0.375001 0.750000 0.125000 Y\n0.375000 0.125000 0.250000 Y\n0.875000 0.625000 0.250000 Y\n0.125000 0.250000 0.375000 Y\n0.750000 0.125000 0.375001 Y\n0.250000 0.875000 0.625000 Y\n0.875000 0.750000 0.625000 Y\n0.125000 0.375001 0.750000 Y\n0.625000 0.875000 0.750000 Y\n0.625000 0.250000 0.875000 Y\n0.750000 0.625000 0.875000 Y\n",
"nsites": 80,
"nelements": 4,
"elements": [
"N",
"Re",
"W",
"Y"
],
"chemical_system": "N-Re-W-Y",
"density": 8.793410518238437,
"density_atomic": 0.07781235290732767,
"volume": 1028.1143932927687,
"volume_molar": 7.739311992238816,
"formula_full": "Y12 Re12 W8 N48",
"formula_reduced": "Y3Re3(WN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.710219927956103,
"spacegroup": 230
},
{
"id": "oqmd-1350627",
"created_at": "2022-09-04T15:46:58.792446Z",
"updated_at": "2022-09-04T15:46:58.792469Z",
"structure_string": "Ho12 Nb12 Re8 N48\n1.0\n-6.372787 6.372787 6.372787\n6.372787 -6.372787 6.372787\n6.372787 6.372787 -6.372787\nHo N Nb Re\n12 48 12 8\ndirect\n0.375000 0.750000 0.124999 Ho\n0.250000 0.375000 0.125000 Ho\n0.375000 0.125000 0.250000 Ho\n0.874999 0.625000 0.250000 Ho\n0.750000 0.124999 0.375000 Ho\n0.125000 0.250000 0.375000 Ho\n0.875000 0.750000 0.625000 Ho\n0.250000 0.874999 0.625000 Ho\n0.124999 0.375000 0.750000 Ho\n0.625000 0.875000 0.750000 Ho\n0.625000 0.250000 0.874999 Ho\n0.750000 0.625000 0.875000 Ho\n0.199587 0.116567 0.025348 N\n0.325762 0.908782 0.025349 N\n0.883433 0.408782 0.083020 N\n0.699587 0.674239 0.083020 N\n0.616567 0.416980 0.091218 N\n0.974651 0.674239 0.091218 N\n0.025348 0.199587 0.116567 N\n0.591219 0.916980 0.116568 N\n0.199588 0.583020 0.174239 N\n0.474651 0.591218 0.174239 N\n0.116567 0.025348 0.199587 N\n0.583020 0.174239 0.199588 N\n0.474651 0.383433 0.300413 N\n0.325762 0.916980 0.300413 N\n0.908782 0.025349 0.325762 N\n0.916980 0.300413 0.325762 N\n0.300413 0.474651 0.383433 N\n0.583020 0.908781 0.383433 N\n0.825761 0.525349 0.408781 N\n0.083020 0.883433 0.408782 N\n0.091218 0.616567 0.416980 N\n0.825762 0.800413 0.416980 N\n0.591218 0.174239 0.474651 N\n0.383433 0.300413 0.474651 N\n0.408781 0.825761 0.525349 N\n0.616568 0.699588 0.525349 N\n0.174239 0.199588 0.583020 N\n0.908781 0.383433 0.583020 N\n0.174239 0.474651 0.591218 N\n0.916980 0.116568 0.591219 N\n0.416980 0.091218 0.616567 N\n0.699588 0.525349 0.616568 N\n0.083020 0.699587 0.674239 N\n0.091218 0.974651 0.674239 N\n0.674239 0.083020 0.699587 N\n0.525349 0.616568 0.699588 N\n0.883432 0.974651 0.800412 N\n0.416980 0.825762 0.800413 N\n0.525349 0.408781 0.825761 N\n0.800413 0.416980 0.825762 N\n0.974651 0.800412 0.883432 N\n0.408782 0.083020 0.883433 N\n0.383433 0.583020 0.908781 N\n0.025349 0.325762 0.908782 N\n0.300413 0.325762 0.916980 N\n0.116568 0.591219 0.916980 N\n0.800412 0.883432 0.974651 N\n0.674239 0.091218 0.974651 N\n0.750000 0.875000 0.125000 Nb\n0.875000 0.250001 0.125000 Nb\n0.625000 0.375000 0.250000 Nb\n0.125000 0.875000 0.250001 Nb\n0.625001 0.750000 0.375000 Nb\n0.250000 0.625000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.375000 0.625001 Nb\n0.375000 0.625001 0.750000 Nb\n0.875000 0.125000 0.750000 Nb\n0.250001 0.125000 0.875000 Nb\n0.125000 0.750000 0.875000 Nb\n0.000000 0.000000 0.000000 Re\n0.499999 0.000000 0.000000 Re\n0.000000 0.499999 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.499999 Re\n0.499999 0.499999 0.499999 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ho",
"N",
"Nb",
"Re"
],
"chemical_system": "Ho-N-Nb-Re",
"density": 8.430585565437044,
"density_atomic": 0.07727549332111291,
"volume": 1035.2570596678768,
"volume_molar": 7.7930796701295915,
"formula_full": "Ho12 Nb12 Re8 N48",
"formula_reduced": "Ho3Nb3(ReN6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -0.824265987581103,
"spacegroup": 230
}
]
}