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=energy_per_atom&page=73",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=71",
"results": [
{
"id": "mp-1229315",
"created_at": "2022-09-04T14:46:19.466206Z",
"structure_string": "Ce8 Gd8 O28\n1.0\n5.512472 7.785468 0.000000\n-5.512472 7.785468 0.000000\n0.000000 7.784792 7.807630\nCe Gd O\n8 8 28\ndirect\n0.747092 0.750708 0.227886 Ce\n0.023931 0.522377 0.475979 Ce\n0.771919 0.228081 0.500000 Ce\n0.249292 0.252908 0.772114 Ce\n0.477623 0.976069 0.524021 Ce\n0.725668 0.274332 0.000000 Ce\n0.024539 0.999509 0.250025 Ce\n0.000491 0.975461 0.749975 Ce\n0.745671 0.748649 0.753725 Gd\n0.500196 0.998863 0.001037 Gd\n0.251917 0.748083 0.500000 Gd\n0.251351 0.254329 0.246275 Gd\n0.001137 0.499804 0.998963 Gd\n0.253224 0.746776 0.000000 Gd\n0.475996 0.499259 0.774256 Gd\n0.500741 0.524004 0.225744 Gd\n0.492157 0.748945 0.750395 O\n0.498429 0.258422 0.000855 O\n0.249235 0.494094 0.757592 O\n0.251055 0.507843 0.249605 O\n0.741578 0.501571 0.999145 O\n0.505906 0.750765 0.242408 O\n0.009859 0.756902 0.487437 O\n0.003033 0.237654 0.255264 O\n0.245957 0.006552 0.007089 O\n0.243098 0.990141 0.512563 O\n0.762346 0.996967 0.744736 O\n0.993448 0.754043 0.992911 O\n0.519241 0.263370 0.710036 O\n0.538043 0.756747 0.475437 O\n0.776733 0.479821 0.728995 O\n0.736630 0.480759 0.289964 O\n0.243253 0.461957 0.524563 O\n0.520179 0.223267 0.271005 O\n0.982266 0.231695 0.998464 O\n0.960341 0.748010 0.269930 O\n0.730503 0.020558 0.482668 O\n0.768305 0.017734 0.001536 O\n0.251990 0.039659 0.730070 O\n0.979442 0.269497 0.517332 O\n0.239858 0.500223 0.009085 O\n0.499777 0.760142 0.990915 O\n0.253971 0.999969 0.250960 O\n0.000031 0.746029 0.749040 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ce",
"Gd",
"O"
],
"chemical_system": "Ce-Gd-O",
"density": 7.004561030404585,
"density_atomic": 0.06565568490705027,
"volume": 670.1628360482638,
"volume_molar": 9.172306660916925,
"formula_full": "Ce8 Gd8 O28",
"formula_reduced": "Ce2Gd2O7",
"formula_anonymous": "A2B2C7",
"energy": -468.18294717,
"energy_per_atom": -10.64052152659091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -448.94694717,
"band_gap": 1.4320999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 56.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.138000Z",
"spacegroup": 5
},
{
"id": "mp-979259",
"created_at": "2022-09-04T14:47:03.482091Z",
"structure_string": "V2 Re1 Mo1\n1.0\n0.000000 3.056681 3.056681\n3.056681 0.000000 3.056681\n3.056681 3.056681 0.000000\nV Re Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Re",
"Mo"
],
"chemical_system": "Mo-Re-V",
"density": 11.164361791920616,
"density_atomic": 0.07002927711871071,
"volume": 57.11896744584935,
"volume_molar": 8.599461550619061,
"formula_full": "V2 Re1 Mo1",
"formula_reduced": "V2ReMo",
"formula_anonymous": "ABC2",
"energy": -42.56160373,
"energy_per_atom": -10.6404009325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.56160373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.911000Z",
"spacegroup": 225
},
{
"id": "mp-1184567",
"created_at": "2022-09-04T14:40:10.242641Z",
"structure_string": "Hf2 Tc1 Ir1\n1.0\n0.000000 3.266032 3.266032\n3.266032 0.000000 3.266032\n3.266032 3.266032 0.000000\nHf Tc Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"Ir"
],
"chemical_system": "Hf-Ir-Tc",
"density": 15.423903187963434,
"density_atomic": 0.05740750720329518,
"volume": 69.67729822921837,
"volume_molar": 10.490162442821292,
"formula_full": "Hf2 Tc1 Ir1",
"formula_reduced": "Hf2TcIr",
"formula_anonymous": "ABC2",
"energy": -42.55384965,
"energy_per_atom": -10.6384624125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.55384965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.034000Z",
"spacegroup": 225
},
{
"id": "mp-1196561",
"created_at": "2022-09-04T14:39:42.590472Z",
"structure_string": "Ti42 Re50\n1.0\n0.000000 0.000000 8.453088\n12.554563 -7.248380 -2.817696\n0.000000 14.496760 -2.817696\nTi Re\n42 50\ndirect\n0.945893 0.391786 0.695893 Ti\n0.554107 0.304107 0.608214 Ti\n0.250000 0.304107 0.695893 Ti\n0.445893 0.695893 0.391786 Ti\n0.750000 0.695893 0.304107 Ti\n0.054107 0.608214 0.304107 Ti\n0.221299 0.771433 0.536660 Ti\n0.449866 0.765227 0.228567 Ti\n0.684639 0.463340 0.234773 Ti\n0.721299 0.536660 0.771433 Ti\n0.184639 0.234773 0.463340 Ti\n0.949866 0.228567 0.765227 Ti\n0.778701 0.228567 0.463340 Ti\n0.550134 0.234773 0.771433 Ti\n0.315361 0.536660 0.765227 Ti\n0.278701 0.463340 0.228567 Ti\n0.815361 0.765227 0.536660 Ti\n0.050134 0.771433 0.234773 Ti\n0.429362 0.116518 0.883977 Ti\n0.312844 0.767459 0.883482 Ti\n0.545385 0.116023 0.232541 Ti\n0.929362 0.883977 0.116518 Ti\n0.045385 0.232541 0.116023 Ti\n0.812844 0.883482 0.767459 Ti\n0.570638 0.883482 0.116023 Ti\n0.687156 0.232541 0.116518 Ti\n0.454615 0.883977 0.767459 Ti\n0.070638 0.116023 0.883482 Ti\n0.954615 0.767459 0.883977 Ti\n0.187156 0.116518 0.232541 Ti\n0.455803 0.515253 0.093237 Ti\n0.940551 0.577985 0.484747 Ti\n0.362566 0.906763 0.422015 Ti\n0.955803 0.093237 0.515253 Ti\n0.862566 0.422015 0.906763 Ti\n0.440551 0.484747 0.577985 Ti\n0.544197 0.484747 0.906763 Ti\n0.059449 0.422015 0.515253 Ti\n0.637434 0.093237 0.577985 Ti\n0.044197 0.906763 0.484747 Ti\n0.137434 0.577985 0.093237 Ti\n0.559449 0.515253 0.422015 Ti\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.000000 Re\n0.311334 0.122667 0.061334 Re\n0.188666 0.938666 0.877333 Re\n0.250000 0.938666 0.061334 Re\n0.811334 0.061334 0.122667 Re\n0.750000 0.061334 0.938666 Re\n0.688666 0.877333 0.938666 Re\n0.690716 0.881432 0.440716 Re\n0.809284 0.559284 0.118568 Re\n0.250000 0.559284 0.440716 Re\n0.190716 0.440716 0.881432 Re\n0.750000 0.440716 0.559284 Re\n0.309284 0.118568 0.559284 Re\n0.130672 0.937145 0.697282 Re\n0.193527 0.760137 0.062855 Re\n0.433390 0.302718 0.239863 Re\n0.630672 0.697282 0.937145 Re\n0.933390 0.239863 0.302718 Re\n0.693527 0.062855 0.760137 Re\n0.869328 0.062855 0.302718 Re\n0.806473 0.239863 0.937145 Re\n0.566610 0.697282 0.760137 Re\n0.369328 0.302718 0.062855 Re\n0.066610 0.760137 0.697282 Re\n0.306473 0.937145 0.239863 Re\n0.315494 0.293895 0.880199 Re\n0.021599 0.586304 0.706105 Re\n0.435295 0.119801 0.413696 Re\n0.815494 0.880199 0.293895 Re\n0.935295 0.413696 0.119801 Re\n0.521599 0.706105 0.586304 Re\n0.684506 0.706105 0.119801 Re\n0.978401 0.413696 0.293895 Re\n0.564705 0.880199 0.586304 Re\n0.184506 0.119801 0.706105 Re\n0.064705 0.586304 0.880199 Re\n0.478401 0.293895 0.413696 Re\n0.620490 0.357684 0.002903 Re\n0.262806 0.645219 0.642316 Re\n0.617587 0.997097 0.354781 Re\n0.120490 0.002903 0.357684 Re\n0.117587 0.354781 0.997097 Re\n0.762806 0.642316 0.645219 Re\n0.379510 0.642316 0.997097 Re\n0.737194 0.354781 0.357684 Re\n0.382413 0.002903 0.645219 Re\n0.879510 0.997097 0.642316 Re\n0.882413 0.645219 0.002903 Re\n0.237194 0.357684 0.354781 Re\n",
"nsites": 92,
"nelements": 2,
"elements": [
"Ti",
"Re"
],
"chemical_system": "Re-Ti",
"density": 12.219034606031707,
"density_atomic": 0.05979982151763108,
"volume": 1538.4661302521645,
"volume_molar": 10.070499555294596,
"formula_full": "Ti42 Re50",
"formula_reduced": "Ti21Re25",
"formula_anonymous": "A21B25",
"energy": -978.72540991,
"energy_per_atom": -10.638319672934783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -978.72540991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3086046,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.191000Z",
"spacegroup": 167
},
{
"id": "mp-352",
"created_at": "2022-09-04T14:39:28.910494Z",
"structure_string": "Hf4 O8\n1.0\n5.195148 0.000000 0.000000\n0.000000 5.142319 0.000000\n0.000000 0.895047 5.250293\nHf O\n4 8\ndirect\n0.542681 0.724041 0.707891 Hf\n0.042681 0.275959 0.792109 Hf\n0.457319 0.275959 0.292109 Hf\n0.957319 0.724041 0.207891 Hf\n0.257397 0.551113 0.977708 O\n0.757397 0.448887 0.522292 O\n0.742603 0.448887 0.022292 O\n0.242603 0.551113 0.477708 O\n0.669878 0.932151 0.347094 O\n0.169878 0.067849 0.152906 O\n0.330122 0.067849 0.652906 O\n0.830122 0.932151 0.847094 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 9.967760671340075,
"density_atomic": 0.08555408816841491,
"volume": 140.26214593483556,
"volume_molar": 7.03898655099368,
"formula_full": "Hf4 O8",
"formula_reduced": "HfO2",
"formula_anonymous": "AB2",
"energy": -127.65017665,
"energy_per_atom": -10.637514720833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.15417665,
"band_gap": 4.0165,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.280000Z",
"spacegroup": 14
},
{
"id": "mp-5813",
"created_at": "2022-09-04T14:41:07.451834Z",
"structure_string": "Ta4 N4 O4\n1.0\n1.945701 6.589879 0.000000\n-1.945701 6.589879 0.000000\n0.000000 2.052177 6.446695\nTa N O\n4 4 4\ndirect\n0.397568 0.397568 0.207793 Ta\n0.602432 0.602432 0.792207 Ta\n0.688496 0.688496 0.193660 Ta\n0.311504 0.311504 0.806340 Ta\n0.241416 0.241416 0.147703 N\n0.758584 0.758584 0.852297 N\n0.554057 0.554057 0.137397 N\n0.445943 0.445943 0.862603 N\n0.359874 0.359874 0.507107 O\n0.640126 0.640126 0.492893 O\n0.134107 0.134107 0.789445 O\n0.865893 0.865893 0.210555 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 8.475711203181918,
"density_atomic": 0.0725872902577749,
"volume": 165.31819768151033,
"volume_molar": 8.296412138563008,
"formula_full": "Ta4 N4 O4",
"formula_reduced": "TaNO",
"formula_anonymous": "ABC",
"energy": -127.64656041,
"energy_per_atom": -10.637213367500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.45456041,
"band_gap": 2.2458,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006359,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.643000Z",
"spacegroup": 12
},
{
"id": "mp-865094",
"created_at": "2022-09-04T14:48:24.347019Z",
"structure_string": "Hf1 Nb1 Tc2\n1.0\n0.000000 3.228881 3.228881\n3.228881 0.000000 3.228881\n3.228881 3.228881 0.000000\nHf Nb Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Nb",
"Tc"
],
"chemical_system": "Hf-Nb-Tc",
"density": 11.527850294527846,
"density_atomic": 0.05941195963720987,
"volume": 67.32651177347783,
"volume_molar": 10.136243269492018,
"formula_full": "Hf1 Nb1 Tc2",
"formula_reduced": "HfNbTc2",
"formula_anonymous": "ABC2",
"energy": -42.54763001,
"energy_per_atom": -10.6369075025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.54763001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.442000Z",
"spacegroup": 225
},
{
"id": "mp-1215225",
"created_at": "2022-09-04T14:47:01.768662Z",
"structure_string": "Zr1 Ta1 C1 N1\n1.0\n5.379747 -1.607278 0.000000\n5.379747 1.607278 0.000000\n4.899549 0.000000 2.742160\nZr Ta C N\n1 1 1 1\ndirect\n0.253273 0.253273 0.253273 Zr\n0.746420 0.746420 0.746420 Ta\n0.005417 0.005417 0.005417 C\n0.494890 0.494890 0.494890 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Zr",
"Ta",
"C",
"N"
],
"chemical_system": "C-N-Ta-Zr",
"density": 10.441562308478373,
"density_atomic": 0.08434985724194712,
"volume": 47.42153846836392,
"volume_molar": 7.139479492806059,
"formula_full": "Zr1 Ta1 C1 N1",
"formula_reduced": "ZrTaCN",
"formula_anonymous": "ABCD",
"energy": -42.54721039,
"energy_per_atom": -10.6368025975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.18621039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.489000Z",
"spacegroup": 160
},
{
"id": "mp-1221524",
"created_at": "2022-09-04T14:40:25.234645Z",
"structure_string": "Mo2 W2 C3\n1.0\n0.000000 2.948983 0.000000\n-0.399118 0.000000 5.159142\n5.456447 1.474491 -2.195476\nMo W C\n2 2 3\ndirect\n0.123145 0.710206 0.753709 Mo\n0.876855 0.289794 0.246291 Mo\n0.376529 0.790153 0.246943 W\n0.623471 0.209847 0.753057 W\n0.000000 0.500000 0.000000 C\n0.745577 0.756956 0.508846 C\n0.254423 0.243044 0.491154 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mo",
"W",
"C"
],
"chemical_system": "C-Mo-W",
"density": 12.296220767238443,
"density_atomic": 0.08703053752955177,
"volume": 80.43153815547912,
"volume_molar": 6.919572061651514,
"formula_full": "Mo2 W2 C3",
"formula_reduced": "Mo2W2C3",
"formula_anonymous": "A2B2C3",
"energy": -74.45341659,
"energy_per_atom": -10.636202370000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.45341659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.764000Z",
"spacegroup": 12
},
{
"id": "mp-1192440",
"created_at": "2022-09-04T14:46:29.594140Z",
"structure_string": "Eu5 Ta4 O15\n1.0\n2.851058 -4.938178 0.000000\n2.851058 4.938178 0.000000\n0.000000 0.000000 11.536944\nEu Ta O\n5 4 15\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.230978 Eu\n0.333333 0.666667 0.769022 Eu\n0.666667 0.333333 0.561385 Eu\n0.333333 0.666667 0.438615 Eu\n0.666667 0.333333 0.895520 Ta\n0.333333 0.666667 0.104480 Ta\n0.000000 0.000000 0.680455 Ta\n0.000000 0.000000 0.319545 Ta\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.329386 0.164693 0.802648 O\n0.835307 0.670614 0.802648 O\n0.835307 0.164693 0.802648 O\n0.670614 0.835307 0.197352 O\n0.164693 0.329386 0.197352 O\n0.164693 0.835307 0.197352 O\n0.340634 0.170317 0.395662 O\n0.829683 0.659366 0.395662 O\n0.829683 0.170317 0.395662 O\n0.659366 0.829683 0.604338 O\n0.170317 0.340634 0.604338 O\n0.170317 0.829683 0.604338 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Eu",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta",
"density": 8.810339518858559,
"density_atomic": 0.07387843189408981,
"volume": 324.85800503191206,
"volume_molar": 8.15141930547901,
"formula_full": "Eu5 Ta4 O15",
"formula_reduced": "Eu5Ta4O15",
"formula_anonymous": "A4B5C15",
"energy": -255.22803769,
"energy_per_atom": -10.634501570416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.92303769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.9935896,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.382000Z",
"spacegroup": 164
},
{
"id": "mp-1009831",
"created_at": "2022-09-04T14:47:57.307476Z",
"structure_string": "Ta1 N1\n1.0\n2.754331 0.000000 0.000000\n0.000000 2.754331 0.000000\n0.000000 0.000000 2.754331\nTa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 15.492951076403019,
"density_atomic": 0.09571535298338232,
"volume": 20.89528939361725,
"volume_molar": 6.291718697464907,
"formula_full": "Ta1 N1",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy": -21.26687767,
"energy_per_atom": -10.633438835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.90587767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.895000Z",
"spacegroup": 221
},
{
"id": "mp-862779",
"created_at": "2022-09-04T14:42:03.248095Z",
"structure_string": "Tc6 Os2\n1.0\n2.765550 -4.790074 0.000000\n2.765550 4.790074 0.000000\n0.000000 0.000000 4.381030\nTc Os\n6 2\ndirect\n0.833633 0.166367 0.750000 Tc\n0.332734 0.166367 0.750000 Tc\n0.833633 0.667266 0.750000 Tc\n0.166367 0.833633 0.250000 Tc\n0.667266 0.833633 0.250000 Tc\n0.166367 0.332734 0.250000 Tc\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Os"
],
"chemical_system": "Os-Tc",
"density": 13.85481799898635,
"density_atomic": 0.06892234204647454,
"volume": 116.07266616978245,
"volume_molar": 8.7375741757865,
"formula_full": "Tc6 Os2",
"formula_reduced": "Tc3Os",
"formula_anonymous": "AB3",
"energy": -85.0623029,
"energy_per_atom": -10.6327878625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.0623029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.003000Z",
"spacegroup": 194
}
]
}