HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10367",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10365",
"results": [
{
"id": "mp-1096133",
"created_at": "2022-09-04T14:45:43.063326Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n-4.761351 5.975253 8.748090\n4.761351 -5.975253 8.748090\n4.761351 5.975253 -8.748090\nMg V Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 V\n0.000000 0.285315 0.285315 Ru\n0.000000 0.714685 0.714685 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ru"
],
"chemical_system": "Mg-Ru-V",
"density": 0.46267356609350613,
"density_atomic": 0.004017910521109194,
"volume": 995.5423295229955,
"volume_molar": 149.88240102314458,
"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
"formula_anonymous": "ABC2",
"energy": -17.98356757,
"energy_per_atom": -4.4958918925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.98356757,
"band_gap": 0.1345,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.094000Z",
"spacegroup": 71
},
{
"id": "mp-1026486",
"created_at": "2022-09-04T14:45:43.072859Z",
"structure_string": "La1 Mg14 Ti1\n1.0\n6.573601 0.000000 -0.000000\n-3.286800 5.692905 -0.000000\n-0.000000 0.000000 10.255625\nLa Mg Ti\n1 14 1\ndirect\n0.166667 0.333333 0.625000 La\n0.166907 0.833453 0.125000 Mg\n0.176379 0.838189 0.625000 Mg\n0.666547 0.333093 0.125000 Mg\n0.661811 0.323621 0.625000 Mg\n0.666547 0.833453 0.125000 Mg\n0.661811 0.838189 0.625000 Mg\n0.334240 0.165760 0.364947 Mg\n0.334240 0.165760 0.885053 Mg\n0.334240 0.668482 0.364947 Mg\n0.334240 0.668482 0.885053 Mg\n0.831518 0.165760 0.364947 Mg\n0.831518 0.165760 0.885053 Mg\n0.833333 0.666667 0.379329 Mg\n0.833333 0.666667 0.870671 Mg\n0.166667 0.333333 0.125000 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Ti"
],
"chemical_system": "La-Mg-Ti",
"density": 2.280317400724843,
"density_atomic": 0.04168891321228955,
"volume": 383.7950852430313,
"volume_molar": 14.445425164560831,
"formula_full": "La1 Mg14 Ti1",
"formula_reduced": "LaMg14Ti",
"formula_anonymous": "ABC14",
"energy": -33.95003541,
"energy_per_atom": -2.121877213125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.95003541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8764921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.490000Z",
"spacegroup": 187
},
{
"id": "mp-19360",
"created_at": "2022-09-04T14:45:43.074645Z",
"structure_string": "Lu2 Cr2 O8\n1.0\n-3.535852 3.535852 3.105161\n3.535852 -3.535852 3.105161\n3.535852 3.535852 -3.105161\nLu Cr O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.321961 0.508646 0.186685 O\n0.385276 0.071961 0.313315 O\n0.758646 0.071961 0.686685 O\n0.321961 0.135276 0.813315 O\n0.864724 0.678039 0.186685 O\n0.928039 0.241354 0.313315 O\n0.928039 0.614724 0.686685 O\n0.491354 0.678039 0.813315 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Cr",
"O"
],
"chemical_system": "Cr-Lu-O",
"density": 6.222732825219211,
"density_atomic": 0.07727677242657069,
"volume": 155.28598857311934,
"volume_molar": 7.792950677025634,
"formula_full": "Lu2 Cr2 O8",
"formula_reduced": "LuCrO4",
"formula_anonymous": "ABC4",
"energy": -101.3658272,
"energy_per_atom": -8.447152266666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.8718272,
"band_gap": 0.2849999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.211000Z",
"spacegroup": 141
},
{
"id": "mp-1220104",
"created_at": "2022-09-04T14:45:43.095669Z",
"structure_string": "Np1 Al8 Cr4\n1.0\n0.000000 0.000000 4.968001\n-4.393149 4.393149 2.484000\n-4.393149 -4.393149 -2.484000\nNp Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.660173 0.339827 0.660173 Al\n0.339827 0.660173 0.339827 Al\n0.000000 0.339827 0.339827 Al\n0.000000 0.660173 0.660173 Al\n0.717020 0.782980 0.217020 Al\n0.282980 0.217020 0.782980 Al\n0.500000 0.782980 0.782980 Al\n0.500000 0.217020 0.217020 Al\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Np",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Np",
"density": 5.722419873753018,
"density_atomic": 0.06779221368416892,
"volume": 191.7624354408094,
"volume_molar": 8.8832336823459,
"formula_full": "Np1 Al8 Cr4",
"formula_reduced": "Np(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy": -82.08083254,
"energy_per_atom": -6.313910195384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.08083254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.764567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.385000Z",
"spacegroup": 139
},
{
"id": "mp-35530",
"created_at": "2022-09-04T14:45:43.097260Z",
"structure_string": "Li1 Mn4 O8\n1.0\n4.177159 4.177158 0.000425\n4.177189 -0.000455 -4.177187\n-0.000413 4.177146 -4.177145\nLi Mn O\n1 4 8\ndirect\n0.999992 0.000004 0.000003 Li\n0.375872 0.375871 0.375870 Mn\n0.375869 0.375868 0.872392 Mn\n0.375868 0.872391 0.375868 Mn\n0.872415 0.375860 0.375861 Mn\n0.609596 0.609610 0.609609 O\n0.609602 0.609616 0.171177 O\n0.609602 0.171177 0.609615 O\n0.171119 0.609632 0.609630 O\n0.583643 0.138782 0.138783 O\n0.138805 0.138787 0.583610 O\n0.138805 0.583610 0.138788 O\n0.138810 0.138792 0.138793 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.039747980667818,
"density_atomic": 0.08916646854286277,
"volume": 145.7947164718185,
"volume_molar": 6.7538177281352425,
"formula_full": "Li1 Mn4 O8",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy": -102.95416953,
"energy_per_atom": -7.919551502307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.78616953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0004188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.757000Z",
"spacegroup": 216
},
{
"id": "mp-752936",
"created_at": "2022-09-04T14:45:43.109276Z",
"structure_string": "Li6 Mn3 F18\n1.0\n4.288609 -7.428088 0.000000\n4.288609 7.428088 0.000000\n0.000000 0.000000 4.659197\nLi Mn F\n6 3 18\ndirect\n0.000000 0.643826 0.000000 Li\n0.000000 0.308139 0.500000 Li\n0.356174 0.356174 0.000000 Li\n0.308139 0.000000 0.500000 Li\n0.691861 0.691861 0.500000 Li\n0.643826 0.000000 0.000000 Li\n0.333333 0.666667 0.512017 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.487983 Mn\n0.098511 0.892243 0.779378 F\n0.229320 0.768318 0.288922 F\n0.127740 0.556317 0.734255 F\n0.428578 0.872260 0.734255 F\n0.231682 0.461002 0.288922 F\n0.107757 0.206268 0.779378 F\n0.206268 0.107757 0.220622 F\n0.443683 0.571422 0.734255 F\n0.538998 0.770680 0.288922 F\n0.461002 0.231682 0.711078 F\n0.571422 0.443683 0.265745 F\n0.793732 0.901489 0.779378 F\n0.556317 0.127740 0.265745 F\n0.770680 0.538998 0.711078 F\n0.901489 0.793732 0.220622 F\n0.768318 0.229320 0.711078 F\n0.872260 0.428578 0.265745 F\n0.892243 0.098511 0.220622 F\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.067869215234326,
"density_atomic": 0.09095554951507429,
"volume": 296.8482972611278,
"volume_molar": 6.62097122397346,
"formula_full": "Li6 Mn3 F18",
"formula_reduced": "Li2MnF6",
"formula_anonymous": "AB2C6",
"energy": -150.77993737,
"energy_per_atom": -5.584442124814815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.45993737,
"band_gap": 2.9792,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0019581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.566000Z",
"spacegroup": 150
},
{
"id": "mp-6964",
"created_at": "2022-09-04T14:45:43.158395Z",
"structure_string": "Na2 Tb2 O4\n1.0\n-2.321605 2.321605 5.256726\n2.321605 -2.321605 5.256726\n2.321605 2.321605 -5.256726\nNa Tb O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.279901 0.279901 0.000000 O\n0.029901 0.529901 0.500000 O\n0.720099 0.720099 0.000000 O\n0.470099 0.970099 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Tb",
"O"
],
"chemical_system": "Na-O-Tb",
"density": 6.268536301084681,
"density_atomic": 0.07058915680551835,
"volume": 113.33185381489916,
"volume_molar": 8.531254703313323,
"formula_full": "Na2 Tb2 O4",
"formula_reduced": "NaTbO2",
"formula_anonymous": "ABC2",
"energy": -56.76650217,
"energy_per_atom": -7.09581277125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.01850217,
"band_gap": 3.8923,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001185,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.654000Z",
"spacegroup": 141
},
{
"id": "mp-5134",
"created_at": "2022-09-04T14:45:43.169509Z",
"structure_string": "La1 Mg2 Ni9\n1.0\n8.028526 -2.448505 0.000000\n8.028526 2.448505 0.000000\n7.281791 0.000000 4.174676\nLa Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 La\n0.855066 0.855066 0.855066 Mg\n0.144934 0.144934 0.144934 Mg\n0.586998 0.082793 0.586998 Ni\n0.082793 0.586998 0.586998 Ni\n0.586998 0.586998 0.082793 Ni\n0.413002 0.917207 0.413002 Ni\n0.917207 0.413002 0.413002 Ni\n0.333512 0.333512 0.333512 Ni\n0.413002 0.413002 0.917207 Ni\n0.500000 0.500000 0.500000 Ni\n0.666488 0.666488 0.666488 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Mg",
"Ni"
],
"chemical_system": "La-Mg-Ni",
"density": 7.241433603824258,
"density_atomic": 0.0731125046243658,
"volume": 164.13061023764772,
"volume_molar": 8.236813648965096,
"formula_full": "La1 Mg2 Ni9",
"formula_reduced": "LaMg2Ni9",
"formula_anonymous": "AB2C9",
"energy": -63.11560057999999,
"energy_per_atom": -5.259633381666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.11560057999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.204498,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.572000Z",
"spacegroup": 166
},
{
"id": "mp-1078233",
"created_at": "2022-09-04T14:45:43.125563Z",
"structure_string": "H6 C2 Cl2\n1.0\n2.560506 -3.250369 0.000000\n2.560506 3.250369 0.000000\n0.000000 0.000000 7.651655\nH C Cl\n6 2 2\ndirect\n0.430208 0.430208 0.863546 H\n0.569792 0.569792 0.363546 H\n0.515832 0.792620 0.003435 H\n0.792620 0.515832 0.003435 H\n0.484168 0.207380 0.503435 H\n0.207380 0.484168 0.503435 H\n0.625140 0.625140 0.924152 C\n0.374860 0.374860 0.424152 C\n0.864263 0.864263 0.753132 Cl\n0.135737 0.135737 0.253132 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H",
"density": 1.3164952313334533,
"density_atomic": 0.07851563708911238,
"volume": 127.36316446939563,
"volume_molar": 7.669989040737312,
"formula_full": "H6 C2 Cl2",
"formula_reduced": "H3CCl",
"formula_anonymous": "ABC3",
"energy": -46.25037299,
"energy_per_atom": -4.625037299000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.02237299,
"band_gap": 5.572100000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041451,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.516000Z",
"spacegroup": 36
},
{
"id": "mp-1016646",
"created_at": "2022-09-04T14:45:43.229301Z",
"structure_string": "Mg12 Sb2 Mo2\n1.0\n5.003338 0.000000 0.000000\n0.000000 6.224908 0.000000\n0.000000 0.000000 10.534769\nMg Sb Mo\n12 2 2\ndirect\n0.000000 0.244195 0.081436 Mg\n0.000000 0.755805 0.081436 Mg\n0.000000 0.500000 0.834323 Mg\n0.500000 0.239980 0.914239 Mg\n0.500000 0.760020 0.914239 Mg\n0.500000 0.500000 0.666415 Mg\n0.000000 0.744195 0.581436 Mg\n0.000000 0.255805 0.581436 Mg\n0.000000 0.000000 0.334323 Mg\n0.500000 0.739980 0.414239 Mg\n0.500000 0.260020 0.414239 Mg\n0.500000 0.000000 0.166415 Mg\n0.500000 0.500000 0.175755 Sb\n0.500000 0.000000 0.675755 Sb\n0.000000 0.500000 0.332157 Mo\n0.000000 0.000000 0.832157 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"Mo"
],
"chemical_system": "Mg-Mo-Sb",
"density": 3.6796079851278085,
"density_atomic": 0.04876432148261187,
"volume": 328.1087383878641,
"volume_molar": 12.349481294735831,
"formula_full": "Mg12 Sb2 Mo2",
"formula_reduced": "Mg6SbMo",
"formula_anonymous": "ABC6",
"energy": -47.55148102,
"energy_per_atom": -2.97196756375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.55148102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.027000Z",
"spacegroup": 38
},
{
"id": "mp-1095982",
"created_at": "2022-09-04T14:45:43.240758Z",
"structure_string": "Ca2 Al1 Cd1\n1.0\n-6.283447 6.470863 9.137937\n6.283447 -6.470863 9.137937\n6.283447 6.470863 -9.137937\nCa Al Cd\n2 1 1\ndirect\n0.000000 0.233045 0.233045 Ca\n0.000000 0.766955 0.766955 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cd"
],
"chemical_system": "Al-Ca-Cd",
"density": 0.24530778772649883,
"density_atomic": 0.002691483235814519,
"volume": 1486.1693904585984,
"volume_molar": 223.74803156362702,
"formula_full": "Ca2 Al1 Cd1",
"formula_reduced": "Ca2AlCd",
"formula_anonymous": "ABC2",
"energy": -3.25701619,
"energy_per_atom": -0.8142540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.25701619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8897917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.210000Z",
"spacegroup": 71
},
{
"id": "mp-706872",
"created_at": "2022-09-04T14:45:43.289275Z",
"structure_string": "Na32 Tb16 O48\n1.0\n7.222754 0.000000 0.000000\n2.330736 6.839840 0.000000\n3.083929 2.441736 24.758018\nNa Tb O\n32 16 48\ndirect\n0.826500 0.491081 0.868697 Na\n0.173525 0.572904 0.812853 Na\n0.611670 0.505209 0.561092 Na\n0.506245 0.492716 0.737675 Na\n0.160337 0.261966 0.754145 Na\n0.081190 0.533710 0.314733 Na\n0.000000 0.500000 0.500000 Na\n0.661397 0.243764 0.495031 Na\n0.493755 0.507284 0.262325 Na\n0.160099 0.256544 0.247096 Na\n0.357963 0.204404 0.866795 Na\n0.000000 0.500000 0.000000 Na\n0.764989 0.159776 0.000420 Na\n0.884403 0.246906 0.618762 Na\n0.597032 0.726439 0.634990 Na\n0.402968 0.273561 0.365010 Na\n0.115597 0.753094 0.381238 Na\n0.057629 0.191456 0.933136 Na\n0.943553 0.183428 0.106094 Na\n0.642037 0.795596 0.133205 Na\n0.839901 0.743456 0.752904 Na\n0.056447 0.816572 0.893906 Na\n0.338603 0.756236 0.504969 Na\n0.942371 0.808544 0.066864 Na\n0.918810 0.466290 0.685267 Na\n0.839663 0.738034 0.245855 Na\n0.388330 0.494791 0.438908 Na\n0.235011 0.840224 0.999580 Na\n0.255592 0.502679 0.629010 Na\n0.826475 0.427096 0.187147 Na\n0.744408 0.497321 0.370990 Na\n0.173500 0.508919 0.131303 Na\n0.162409 0.887237 0.689520 Tb\n0.708474 0.857211 0.435320 Tb\n0.230811 0.853791 0.187945 Tb\n0.639117 0.858053 0.941737 Tb\n0.566017 0.537113 0.065691 Tb\n0.564870 0.106586 0.687641 Tb\n0.056214 0.141456 0.433537 Tb\n0.548611 0.162756 0.182948 Tb\n0.451389 0.837244 0.817052 Tb\n0.943786 0.858544 0.566463 Tb\n0.435130 0.893414 0.312359 Tb\n0.769189 0.146209 0.812055 Tb\n0.433983 0.462887 0.934309 Tb\n0.291526 0.142789 0.564680 Tb\n0.837591 0.112763 0.310480 Tb\n0.360883 0.141947 0.058263 Tb\n0.161611 0.587521 0.724000 O\n0.667204 0.573860 0.470289 O\n0.577261 0.400694 0.650503 O\n0.240558 0.178389 0.653763 O\n0.181017 0.562290 0.221720 O\n0.078296 0.440262 0.407407 O\n0.108495 0.095991 0.837760 O\n0.761281 0.164083 0.401106 O\n0.684033 0.521085 0.972419 O\n0.504120 0.492916 0.166886 O\n0.623258 0.074494 0.579697 O\n0.262639 0.166636 0.152686 O\n0.112909 0.931263 0.804121 O\n0.138279 0.475191 0.900871 O\n0.145975 0.120149 0.340368 O\n0.488575 0.148242 0.777317 O\n0.696590 0.185043 0.903170 O\n0.609488 0.922033 0.544854 O\n0.470762 0.826388 0.722060 O\n0.626630 0.196282 0.089875 O\n0.004698 0.166068 0.527633 O\n0.869970 0.104946 0.718771 O\n0.130030 0.895054 0.281229 O\n0.995302 0.833932 0.472367 O\n0.529238 0.173612 0.277940 O\n0.390512 0.077967 0.455146 O\n0.597437 0.854932 0.037323 O\n0.511425 0.851758 0.222683 O\n0.854025 0.879851 0.659632 O\n0.080154 0.156282 0.022477 O\n0.887091 0.068737 0.195879 O\n0.737361 0.833364 0.847314 O\n0.919846 0.843718 0.977523 O\n0.376742 0.925506 0.420303 O\n0.495880 0.507084 0.833114 O\n0.402563 0.145068 0.962677 O\n0.238719 0.835917 0.598894 O\n0.891505 0.904009 0.162240 O\n0.921704 0.559738 0.592593 O\n0.818983 0.437710 0.778280 O\n0.759442 0.821611 0.346237 O\n0.373370 0.803718 0.910125 O\n0.422739 0.599306 0.349497 O\n0.332796 0.426140 0.529711 O\n0.303410 0.814957 0.096830 O\n0.861721 0.524809 0.099129 O\n0.838389 0.412479 0.276000 O\n0.315967 0.478915 0.027581 O\n",
"nsites": 96,
"nelements": 3,
"elements": [
"Na",
"Tb",
"O"
],
"chemical_system": "Na-O-Tb",
"density": 5.493619460264622,
"density_atomic": 0.07848860179144744,
"volume": 1223.1075316525857,
"volume_molar": 7.672630958570862,
"formula_full": "Na32 Tb16 O48",
"formula_reduced": "Na2TbO3",
"formula_anonymous": "AB2C3",
"energy": -568.8536486500001,
"energy_per_atom": -5.925558840104167,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -546.53364865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9939351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.665000Z",
"spacegroup": 2
}
]
}