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{
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"results": [
{
"id": "mp-1008556",
"created_at": "2022-09-04T14:46:41.207480Z",
"structure_string": "Al1 Ga1 N2\n1.0\n3.164181 0.000000 0.000000\n0.000000 3.164181 0.000000\n0.000000 0.000000 4.467331\nAl Ga N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.738781 N\n0.000000 0.500000 0.261219 N\n",
"nsites": 4,
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"density": 4.630279982767957,
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"volume": 44.72710292290304,
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"formula_full": "Al1 Ga1 N2",
"formula_reduced": "AlGaN2",
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"updated_at": "2021-11-28T01:37:44.970000Z",
"spacegroup": 115
},
{
"id": "mp-1228436",
"created_at": "2022-09-04T14:48:14.910805Z",
"structure_string": "Al3 Ga1 N4\n1.0\n3.148585 0.000000 0.000000\n0.000000 5.077681 0.000000\n0.000000 0.003230 5.451585\nAl Ga N\n3 1 4\ndirect\n0.500000 0.499789 0.832708 Al\n0.500000 0.000857 0.164936 Al\n0.000000 0.000727 0.668559 Al\n0.000000 0.499937 0.333683 Ga\n0.000000 0.110525 0.333781 N\n0.500000 0.122601 0.832849 N\n0.500000 0.625858 0.158923 N\n0.000000 0.623307 0.674560 N\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Al-Ga-N",
"density": 3.937986452360575,
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"volume": 87.157270964765,
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"formula_full": "Al3 Ga1 N4",
"formula_reduced": "Al3GaN4",
"formula_anonymous": "AB3C4",
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"updated_at": "2021-11-28T01:40:02.241000Z",
"spacegroup": 6
},
{
"id": "mp-1228894",
"created_at": "2022-09-04T14:41:51.344979Z",
"structure_string": "Al1 Ga1 N2\n1.0\n1.584812 -2.744974 0.000000\n1.584812 2.744974 0.000000\n0.000000 0.000000 5.138874\nAl Ga N\n1 1 2\ndirect\n0.000000 0.000000 0.999190 Al\n0.666667 0.333333 0.497254 Ga\n0.666667 0.333333 0.111983 N\n0.000000 0.000000 0.627973 N\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Ga-N",
"density": 4.631952213521391,
"density_atomic": 0.08946353201850965,
"volume": 44.710955511709685,
"volume_molar": 6.73139169014034,
"formula_full": "Al1 Ga1 N2",
"formula_reduced": "AlGaN2",
"formula_anonymous": "ABC2",
"energy": -27.89121999,
"energy_per_atom": -6.9728049975,
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"energy_uncorrected": -27.16921999,
"band_gap": 2.7200000000000006,
"is_gap_direct": true,
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"total_magnetization": 9.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.193000Z",
"spacegroup": 156
},
{
"id": "mp-1028246",
"created_at": "2022-09-04T14:41:19.225692Z",
"structure_string": "Mg14 Al1 Ga1\n1.0\n6.287782 0.034661 0.000000\n-3.113874 5.393387 0.000000\n0.000000 0.000000 10.342807\nMg Al Ga\n14 1 1\ndirect\n0.166955 0.333477 0.625000 Mg\n0.167403 0.833701 0.625000 Mg\n0.665932 0.333898 0.125000 Mg\n0.664971 0.332403 0.625000 Mg\n0.665932 0.832033 0.125000 Mg\n0.664971 0.832567 0.625000 Mg\n0.331926 0.165963 0.370957 Mg\n0.331926 0.165963 0.879043 Mg\n0.331926 0.665965 0.370957 Mg\n0.331926 0.665965 0.879043 Mg\n0.837262 0.168631 0.374906 Mg\n0.837262 0.168631 0.875094 Mg\n0.836819 0.668410 0.376114 Mg\n0.836819 0.668410 0.873886 Mg\n0.162927 0.331463 0.125000 Al\n0.165043 0.832521 0.125000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Mg",
"density": 2.0621856247815904,
"density_atomic": 0.04547183787783261,
"volume": 351.8661383994763,
"volume_molar": 13.243671338245546,
"formula_full": "Mg14 Al1 Ga1",
"formula_reduced": "Mg14AlGa",
"formula_anonymous": "ABC14",
"energy": -29.34535622,
"energy_per_atom": -1.83408476375,
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"total_magnetization": 1.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.037000Z",
"spacegroup": 38
},
{
"id": "mp-1185740",
"created_at": "2022-09-04T14:40:12.068805Z",
"structure_string": "Mg17 Al11 Ga1\n1.0\n7.444603 5.262503 0.000000\n-7.444603 5.262503 0.000000\n0.000000 5.254617 7.441818\nMg Al Ga\n17 11 1\ndirect\n0.000252 0.000252 0.654589 Mg\n0.999695 0.999695 0.999954 Mg\n0.655622 0.655622 0.343347 Mg\n0.397752 0.397752 0.286550 Mg\n0.682968 0.682968 0.714473 Mg\n0.602194 0.315274 0.000882 Mg\n0.712992 0.397741 0.602243 Mg\n0.315946 0.000157 0.397594 Mg\n0.345209 0.999787 0.000236 Mg\n0.683985 0.286216 0.316264 Mg\n0.999767 0.601723 0.684163 Mg\n0.601723 0.999767 0.684163 Mg\n0.286216 0.683985 0.316264 Mg\n0.999787 0.345209 0.000236 Mg\n0.000157 0.315946 0.397594 Mg\n0.397741 0.712992 0.602243 Mg\n0.315274 0.602194 0.000882 Mg\n0.186486 0.186486 0.180037 Al\n0.814546 0.632957 0.999691 Al\n0.366549 0.181602 0.633369 Al\n0.000051 0.814950 0.366610 Al\n0.185473 0.818706 0.814695 Al\n0.999576 0.632709 0.185713 Al\n0.632709 0.999576 0.185713 Al\n0.818706 0.185473 0.814695 Al\n0.814950 0.000051 0.366610 Al\n0.181602 0.366549 0.633369 Al\n0.632957 0.814546 0.999691 Al\n0.369117 0.369117 0.818128 Ga\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Mg",
"density": 2.22042666991679,
"density_atomic": 0.049734191044690054,
"volume": 583.0998633101569,
"volume_molar": 12.1086532896225,
"formula_full": "Mg17 Al11 Ga1",
"formula_reduced": "Mg17Al11Ga",
"formula_anonymous": "AB11C17",
"energy": -72.4724743,
"energy_per_atom": -2.4990508379310343,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.665000Z",
"spacegroup": 8
},
{
"id": "mp-1185664",
"created_at": "2022-09-04T14:46:34.966939Z",
"structure_string": "Mg16 Al12 Ga1\n1.0\n7.443742 5.252278 0.000000\n-7.443742 5.252278 0.000000\n0.000000 5.164468 7.422269\nMg Al Ga\n16 12 1\ndirect\n0.998057 0.998057 0.347452 Mg\n0.313116 0.313116 0.289605 Mg\n0.353927 0.353927 0.662378 Mg\n0.002246 0.002246 0.997563 Mg\n0.402273 0.678216 0.997358 Mg\n0.286709 0.599309 0.399890 Mg\n0.683545 0.999702 0.600282 Mg\n0.653141 0.001062 0.996122 Mg\n0.319311 0.708332 0.686411 Mg\n0.997968 0.400834 0.317680 Mg\n0.400834 0.997968 0.317680 Mg\n0.708332 0.319311 0.686411 Mg\n0.001062 0.653141 0.996122 Mg\n0.999702 0.683545 0.600282 Mg\n0.599309 0.286709 0.399890 Mg\n0.678216 0.402273 0.997358 Mg\n0.634956 0.634956 0.177782 Al\n0.816501 0.816501 0.813055 Al\n0.178354 0.361022 0.007567 Al\n0.998983 0.184221 0.634805 Al\n0.633987 0.819530 0.364770 Al\n0.810415 0.180630 0.186029 Al\n0.996332 0.366330 0.817350 Al\n0.366330 0.996332 0.817350 Al\n0.180630 0.810415 0.186029 Al\n0.819530 0.633987 0.364770 Al\n0.184221 0.998983 0.634805 Al\n0.361022 0.178354 0.007567 Al\n0.620974 0.620974 0.695638 Ga\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Mg",
"density": 2.2385249891606223,
"density_atomic": 0.049968037757656354,
"volume": 580.3709991704942,
"volume_molar": 12.051985689746756,
"formula_full": "Mg16 Al12 Ga1",
"formula_reduced": "Mg16Al12Ga",
"formula_anonymous": "AB12C16",
"energy": -74.46596433,
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"energy_uncorrected": -74.46596433,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.659000Z",
"spacegroup": 8
},
{
"id": "mp-1028222",
"created_at": "2022-09-04T14:43:10.177738Z",
"structure_string": "Mg14 Al1 Ga1\n1.0\n6.272010 0.000000 0.000000\n-3.136005 5.431720 -0.000000\n-0.000000 -0.000000 10.303427\nMg Al Ga\n14 1 1\ndirect\n0.166750 0.833374 0.125000 Mg\n0.166782 0.833391 0.625000 Mg\n0.666626 0.333250 0.125000 Mg\n0.666609 0.333218 0.625000 Mg\n0.666626 0.833374 0.125000 Mg\n0.666609 0.833391 0.625000 Mg\n0.332205 0.167795 0.374746 Mg\n0.332205 0.167795 0.875254 Mg\n0.332205 0.664411 0.374746 Mg\n0.332205 0.664411 0.875254 Mg\n0.835589 0.167795 0.374746 Mg\n0.835589 0.167795 0.875254 Mg\n0.833333 0.666667 0.374864 Mg\n0.833333 0.666667 0.875136 Mg\n0.166667 0.333333 0.125000 Al\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Mg",
"density": 2.067185333210748,
"density_atomic": 0.0455820830121188,
"volume": 351.0151125771527,
"volume_molar": 13.211640105167875,
"formula_full": "Mg14 Al1 Ga1",
"formula_reduced": "Mg14AlGa",
"formula_anonymous": "ABC14",
"energy": -29.55835086,
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"total_magnetization": 3.61e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.963000Z",
"spacegroup": 187
},
{
"id": "mp-1023266",
"created_at": "2022-09-04T14:42:08.811285Z",
"structure_string": "Mg12 Al2 Ga2\n1.0\n5.129335 0.000000 0.000000\n0.000000 6.150632 0.000000\n0.000000 0.000000 10.738312\nMg Al Ga\n12 2 2\ndirect\n0.000000 0.251765 0.084551 Mg\n0.000000 0.748235 0.084551 Mg\n0.000000 0.000000 0.332993 Mg\n0.500000 0.747517 0.415207 Mg\n0.500000 0.252483 0.415207 Mg\n0.500000 0.000000 0.166920 Mg\n0.000000 0.751765 0.584551 Mg\n0.000000 0.248235 0.584551 Mg\n0.000000 0.500000 0.832993 Mg\n0.500000 0.247517 0.915207 Mg\n0.500000 0.752483 0.915207 Mg\n0.500000 0.500000 0.666920 Mg\n0.000000 0.500000 0.333621 Al\n0.000000 0.000000 0.833621 Al\n0.500000 0.500000 0.166950 Ga\n0.500000 0.000000 0.666950 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Mg",
"density": 2.3775839556617195,
"density_atomic": 0.047228391757512825,
"volume": 338.7792682450342,
"volume_molar": 12.751102749633713,
"formula_full": "Mg12 Al2 Ga2",
"formula_reduced": "Mg6AlGa",
"formula_anonymous": "ABC6",
"energy": -32.93719182,
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"updated_at": "2021-11-28T01:35:42.075000Z",
"spacegroup": 38
},
{
"id": "mp-1185663",
"created_at": "2022-09-04T14:46:41.738144Z",
"structure_string": "Mg16 Al12 Ga1\n1.0\n5.254248 -7.429902 0.000000\n5.254248 7.429902 0.000000\n-5.252191 0.000000 7.431356\nMg Al Ga\n16 12 1\ndirect\n0.406691 0.406691 0.708400 Mg\n0.997615 0.997615 0.997615 Mg\n0.998387 0.998387 0.344237 Mg\n0.684754 0.684754 0.285395 Mg\n0.598360 0.316815 0.999101 Mg\n0.708400 0.406691 0.406691 Mg\n0.316815 0.999101 0.598360 Mg\n0.344237 0.998387 0.998387 Mg\n0.684754 0.285395 0.684754 Mg\n0.999101 0.598360 0.316815 Mg\n0.598360 0.999101 0.316815 Mg\n0.285395 0.684754 0.684754 Mg\n0.998387 0.344237 0.998387 Mg\n0.999101 0.316815 0.598360 Mg\n0.406691 0.708400 0.406691 Mg\n0.316815 0.598360 0.999101 Mg\n0.359636 0.359636 0.173135 Al\n0.185839 0.185839 0.812334 Al\n0.816189 0.633142 0.001720 Al\n0.001720 0.816189 0.633142 Al\n0.359636 0.173135 0.359636 Al\n0.001720 0.633142 0.816189 Al\n0.185839 0.812334 0.185839 Al\n0.812334 0.185839 0.185839 Al\n0.633142 0.001720 0.816189 Al\n0.173135 0.359636 0.359636 Al\n0.816189 0.001720 0.633142 Al\n0.633142 0.816189 0.001720 Al\n0.677610 0.677610 0.677610 Ga\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Mg",
"density": 2.2391126021568906,
"density_atomic": 0.049981154371733304,
"volume": 580.2186917155492,
"volume_molar": 12.048822872738217,
"formula_full": "Mg16 Al12 Ga1",
"formula_reduced": "Mg16Al12Ga",
"formula_anonymous": "AB12C16",
"energy": -74.40371105,
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"updated_at": "2021-11-28T01:37:47.995000Z",
"spacegroup": 160
},
{
"id": "mp-1023270",
"created_at": "2022-09-04T14:43:16.395619Z",
"structure_string": "Mg12 Al2 Ga2\n1.0\n4.967680 0.000000 0.000000\n0.000000 6.324709 0.000000\n0.000000 0.000000 10.769025\nMg Al Ga\n12 2 2\ndirect\n0.500000 0.750015 0.083372 Mg\n0.500000 0.249985 0.083372 Mg\n0.000000 0.750494 0.914624 Mg\n0.000000 0.249506 0.914624 Mg\n0.000000 0.500000 0.169203 Mg\n0.000000 0.500000 0.668427 Mg\n0.500000 0.250015 0.583372 Mg\n0.500000 0.749985 0.583372 Mg\n0.000000 0.250494 0.414624 Mg\n0.000000 0.749506 0.414624 Mg\n0.000000 0.000000 0.669203 Mg\n0.000000 0.000000 0.168427 Mg\n0.500000 0.500000 0.333309 Al\n0.500000 0.000000 0.833309 Al\n0.500000 0.500000 0.833074 Ga\n0.500000 0.000000 0.333074 Ga\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Al-Ga-Mg",
"density": 2.3805764941613408,
"density_atomic": 0.04728783562290105,
"volume": 338.3534008109974,
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"formula_full": "Mg12 Al2 Ga2",
"formula_reduced": "Mg6AlGa",
"formula_anonymous": "ABC6",
"energy": -32.94315616,
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"updated_at": "2021-11-28T01:36:02.398000Z",
"spacegroup": 38
},
{
"id": "mp-1185665",
"created_at": "2022-09-04T14:45:33.302857Z",
"structure_string": "Mg16 Al12 Ga1\n1.0\n-5.264388 5.264388 5.264388\n5.264388 -5.264388 5.264388\n5.264388 5.264388 -5.264388\nMg Al Ga\n16 12 1\ndirect\n0.000000 0.335296 0.000000 Mg\n0.335296 0.000000 0.000000 Mg\n0.313997 0.598889 0.000000 Mg\n0.598889 0.313997 0.000000 Mg\n0.401111 0.401111 0.715108 Mg\n0.284892 0.686003 0.686003 Mg\n0.686003 0.284892 0.686003 Mg\n0.664704 0.664704 0.664704 Mg\n0.313997 0.000000 0.598889 Mg\n0.000000 0.313997 0.598889 Mg\n0.715108 0.401111 0.401111 Mg\n0.401111 0.715108 0.401111 Mg\n0.000000 0.000000 0.335296 Mg\n0.598889 0.000000 0.313997 Mg\n0.000000 0.598889 0.313997 Mg\n0.686003 0.686003 0.284892 Mg\n0.630700 0.813710 0.000000 Al\n0.813710 0.630700 0.000000 Al\n0.186290 0.186290 0.816990 Al\n0.630700 0.000000 0.813710 Al\n0.000000 0.630700 0.813710 Al\n0.813710 0.000000 0.630700 Al\n0.000000 0.813710 0.630700 Al\n0.369300 0.183010 0.369300 Al\n0.183010 0.369300 0.369300 Al\n0.186290 0.816990 0.186290 Al\n0.816990 0.186290 0.186290 Al\n0.369300 0.369300 0.183010 Al\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 29,
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"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Mg",
"density": 2.22619901833887,
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"volume": 583.5843848303732,
"volume_molar": 12.118714864781092,
"formula_full": "Mg16 Al12 Ga1",
"formula_reduced": "Mg16Al12Ga",
"formula_anonymous": "AB12C16",
"energy": -74.22153887,
"energy_per_atom": -2.559363409310345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.22153887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1108965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.039000Z",
"spacegroup": 217
},
{
"id": "mp-1222668",
"created_at": "2022-09-04T14:42:23.984165Z",
"structure_string": "Li2 Al1 Ga1\n1.0\n0.000000 3.130284 3.130284\n3.130284 0.000000 3.130284\n3.130284 3.130284 0.000000\nLi Al Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Li",
"density": 2.9934371373017723,
"density_atomic": 0.06520468053883886,
"volume": 61.3452894323655,
"volume_molar": 9.235749198116137,
"formula_full": "Li2 Al1 Ga1",
"formula_reduced": "Li2AlGa",
"formula_anonymous": "ABC2",
"energy": -11.63249452,
"energy_per_atom": -2.90812363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.63249452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.861000Z",
"spacegroup": 216
}
]
}