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=11501",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=11499",
"results": [
{
"id": "mp-623",
"created_at": "2022-09-04T14:41:53.156564Z",
"structure_string": "Hg1 Pt1\n1.0\n3.023661 0.000000 0.000000\n0.000000 3.023661 0.000000\n0.000000 0.000000 3.987660\nHg Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 18.021971241043683,
"density_atomic": 0.05485872087816884,
"volume": 36.45728460278236,
"volume_molar": 10.977544980266803,
"formula_full": "Hg1 Pt1",
"formula_reduced": "HgPt",
"formula_anonymous": "AB",
"energy": -6.26109174,
"energy_per_atom": -3.13054587,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.26109174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.14e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.703000Z",
"spacegroup": 123
},
{
"id": "mp-30985",
"created_at": "2022-09-04T14:41:49.355391Z",
"structure_string": "Tb6 Br7\n1.0\n1.904555 10.656230 0.000000\n-1.904555 10.656230 0.000000\n0.000000 6.380524 9.864140\nTb Br\n6 7\ndirect\n0.872227 0.872227 0.557840 Tb\n0.127773 0.127773 0.442160 Tb\n0.682069 0.682069 0.636951 Tb\n0.317931 0.317931 0.363049 Tb\n0.228086 0.228086 0.841522 Tb\n0.771914 0.771914 0.158478 Tb\n0.500000 0.500000 0.500000 Br\n0.946622 0.946622 0.273152 Br\n0.053378 0.053378 0.726848 Br\n0.833346 0.833346 0.844907 Br\n0.166654 0.166654 0.155093 Br\n0.608112 0.608112 0.939029 Br\n0.391888 0.391888 0.060971 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.27432889440745,
"density_atomic": 0.03246811120499822,
"volume": 400.392862951595,
"volume_molar": 18.547862923029957,
"formula_full": "Tb6 Br7",
"formula_reduced": "Tb6Br7",
"formula_anonymous": "A6B7",
"energy": -59.723545400000006,
"energy_per_atom": -4.594118876923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.98554539999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1887354,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.089000Z",
"spacegroup": 12
},
{
"id": "mp-1181553",
"created_at": "2022-09-04T14:41:53.165514Z",
"structure_string": "Dy10 Tl6\n1.0\n4.498651 -7.791892 0.000000\n4.498651 7.791892 0.000000\n0.000000 0.000000 6.745380\nDy Tl\n10 6\ndirect\n0.666667 0.333333 0.500000 Dy\n0.333333 0.666667 0.500000 Dy\n0.333333 0.666667 0.000000 Dy\n0.666667 0.333333 0.000000 Dy\n0.763602 0.763602 0.250000 Dy\n0.236398 0.000000 0.250000 Dy\n0.000000 0.236398 0.250000 Dy\n0.236398 0.236398 0.750000 Dy\n0.763602 0.000000 0.750000 Dy\n0.000000 0.763602 0.750000 Dy\n0.402487 0.402487 0.250000 Tl\n0.597513 0.000000 0.250000 Tl\n0.000000 0.597513 0.250000 Tl\n0.597513 0.597513 0.750000 Tl\n0.402487 0.000000 0.750000 Tl\n0.000000 0.402487 0.750000 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Tl"
],
"chemical_system": "Dy-Tl",
"density": 10.01221894357271,
"density_atomic": 0.03383438911276606,
"volume": 472.8916472135457,
"volume_molar": 17.798875398426464,
"formula_full": "Dy10 Tl6",
"formula_reduced": "Dy5Tl3",
"formula_anonymous": "A3B5",
"energy": -65.01891739,
"energy_per_atom": -4.063682336875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.01891739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088274,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.230000Z",
"spacegroup": 193
},
{
"id": "mp-1238498",
"created_at": "2022-09-04T14:41:50.451379Z",
"structure_string": "Cu2 Te2\n1.0\n3.896759 0.000000 0.000000\n0.000000 5.282309 0.000000\n0.000000 0.000000 4.029931\nCu Te\n2 2\ndirect\n0.500000 0.000000 0.723195 Cu\n0.000000 0.500000 0.276805 Cu\n0.500000 0.500000 0.771100 Te\n0.000000 0.000000 0.228900 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Te"
],
"chemical_system": "Cu-Te",
"density": 7.652782093815177,
"density_atomic": 0.04822086885468586,
"volume": 82.95163681214551,
"volume_molar": 12.48866082887845,
"formula_full": "Cu2 Te2",
"formula_reduced": "CuTe",
"formula_anonymous": "AB",
"energy": -15.14326676,
"energy_per_atom": -3.78581669,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.29926676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.940000Z",
"spacegroup": 59
},
{
"id": "mp-1101136",
"created_at": "2022-09-04T14:41:57.209510Z",
"structure_string": "Te6 I24\n1.0\n5.272544 0.000000 0.000000\n0.670154 6.283679 0.000000\n1.187975 0.772522 48.853332\nTe I\n6 24\ndirect\n0.215947 0.710709 0.728689 Te\n0.497006 0.624663 0.628808 Te\n0.837510 0.544625 0.543035 Te\n0.162490 0.455375 0.456965 Te\n0.502994 0.375337 0.371192 Te\n0.784053 0.289291 0.271311 Te\n0.304394 0.404932 0.774193 I\n0.628402 0.389227 0.677323 I\n0.736799 0.920371 0.739739 I\n0.106339 0.912707 0.650257 I\n0.937639 0.329245 0.594646 I\n0.245706 0.252729 0.514036 I\n0.434977 0.833108 0.569772 I\n0.754294 0.747271 0.485964 I\n0.565023 0.166892 0.430228 I\n0.893661 0.087293 0.349743 I\n0.062361 0.670755 0.405354 I\n0.263201 0.079629 0.260261 I\n0.371598 0.610773 0.322677 I\n0.573647 0.921016 0.183316 I\n0.695606 0.595068 0.225807 I\n0.957325 0.799229 0.110195 I\n0.068136 0.438676 0.139302 I\n0.281719 0.724195 0.026025 I\n0.383570 0.370434 0.056623 I\n0.718281 0.275805 0.973975 I\n0.616430 0.629566 0.943377 I\n0.931864 0.561324 0.860698 I\n0.042675 0.200771 0.889805 I\n0.426353 0.078984 0.816684 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Te",
"I"
],
"chemical_system": "I-Te",
"density": 3.910161257536515,
"density_atomic": 0.018535011558019298,
"volume": 1618.558472763417,
"volume_molar": 32.49062317090641,
"formula_full": "Te6 I24",
"formula_reduced": "TeI4",
"formula_anonymous": "AB4",
"energy": -63.20469346,
"energy_per_atom": -2.1068231153333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.10869346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.040977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.495000Z",
"spacegroup": 2
},
{
"id": "mp-30408",
"created_at": "2022-09-04T14:41:49.342232Z",
"structure_string": "Mg8 Au24\n1.0\n2.951666 -10.105206 0.000000\n2.951666 10.105206 0.000000\n0.000000 0.000000 9.600608\nMg Au\n8 24\ndirect\n0.876313 0.123687 0.500834 Mg\n0.123687 0.876313 0.499166 Mg\n0.123687 0.876313 0.000834 Mg\n0.876313 0.123687 0.999166 Mg\n0.540569 0.459431 0.750000 Mg\n0.459431 0.540569 0.250000 Mg\n0.293105 0.706895 0.750000 Mg\n0.706895 0.293105 0.250000 Mg\n0.251594 0.251594 0.000000 Au\n0.748406 0.748406 0.500000 Au\n0.748406 0.748406 0.000000 Au\n0.251594 0.251594 0.500000 Au\n0.625770 0.374230 0.998506 Au\n0.374230 0.625770 0.001494 Au\n0.374230 0.625770 0.498506 Au\n0.625770 0.374230 0.501494 Au\n0.080811 0.414566 0.250000 Au\n0.414566 0.080811 0.750000 Au\n0.919189 0.585434 0.750000 Au\n0.585434 0.919189 0.250000 Au\n0.333720 0.166433 0.250000 Au\n0.166433 0.333720 0.750000 Au\n0.666280 0.833567 0.750000 Au\n0.833567 0.666280 0.250000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.792194 0.207806 0.750000 Au\n0.207806 0.792194 0.250000 Au\n0.044140 0.955860 0.750000 Au\n0.955860 0.044140 0.250000 Au\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Mg",
"Au"
],
"chemical_system": "Au-Mg",
"density": 14.269791151929315,
"density_atomic": 0.05587388391839341,
"volume": 572.7183749520186,
"volume_molar": 10.778095843123483,
"formula_full": "Mg8 Au24",
"formula_reduced": "MgAu3",
"formula_anonymous": "AB3",
"energy": -104.36349078,
"energy_per_atom": -3.261359086875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.36349078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005671,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.582000Z",
"spacegroup": 63
},
{
"id": "mp-1217887",
"created_at": "2022-09-04T14:41:56.731614Z",
"structure_string": "Ta1 Ti1\n1.0\n1.647183 -2.303194 0.000000\n1.647184 2.303194 0.000000\n0.000000 0.000000 4.659713\nTa Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Ti"
],
"chemical_system": "Ta-Ti",
"density": 10.746615063570298,
"density_atomic": 0.05656767481968106,
"volume": 35.35588136467223,
"volume_molar": 10.645904713595854,
"formula_full": "Ta1 Ti1",
"formula_reduced": "TaTi",
"formula_anonymous": "AB",
"energy": -19.63207368,
"energy_per_atom": -9.81603684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.63207368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0591736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.867000Z",
"spacegroup": 65
},
{
"id": "mp-583800",
"created_at": "2022-09-04T14:41:54.814247Z",
"structure_string": "Zr16 Cu8\n1.0\n0.000000 6.154549 6.154549\n6.154549 0.000000 6.154549\n6.154549 6.154549 0.000000\nZr Cu\n16 8\ndirect\n0.935129 0.564871 0.564871 Zr\n0.935129 0.564871 0.935129 Zr\n0.685129 0.314871 0.314871 Zr\n0.314871 0.314871 0.685129 Zr\n0.314871 0.685129 0.685129 Zr\n0.564871 0.564871 0.935129 Zr\n0.564871 0.935129 0.935129 Zr\n0.125000 0.125000 0.125000 Zr\n0.935129 0.935129 0.564871 Zr\n0.314871 0.685129 0.314871 Zr\n0.564871 0.935129 0.564871 Zr\n0.685129 0.314871 0.685129 Zr\n0.685129 0.685129 0.314871 Zr\n0.125000 0.625000 0.125000 Zr\n0.125000 0.125000 0.625000 Zr\n0.625000 0.125000 0.125000 Zr\n0.998694 0.333769 0.333769 Cu\n0.333769 0.998694 0.333769 Cu\n0.916231 0.916231 0.916231 Cu\n0.251306 0.916231 0.916231 Cu\n0.916231 0.251306 0.916231 Cu\n0.916231 0.916231 0.251306 Cu\n0.333769 0.333769 0.998694 Cu\n0.333769 0.333769 0.333769 Cu\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.008819927006588,
"density_atomic": 0.05147454837497599,
"volume": 466.2498410897655,
"volume_molar": 11.699259051542498,
"formula_full": "Zr16 Cu8",
"formula_reduced": "Zr2Cu",
"formula_anonymous": "AB2",
"energy": -171.11239581,
"energy_per_atom": -7.129683158750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.11239581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.784000Z",
"spacegroup": 227
},
{
"id": "mp-1044574",
"created_at": "2022-09-04T14:41:51.292221Z",
"structure_string": "Sb8 O16\n1.0\n5.942578 0.000000 0.000000\n0.000000 6.535281 0.000000\n0.000000 0.000000 12.294619\nSb O\n8 16\ndirect\n0.500000 0.964628 0.325303 Sb\n0.500000 0.964628 0.674697 Sb\n0.000000 0.035372 0.174697 Sb\n0.000000 0.035372 0.825303 Sb\n0.250000 0.500000 0.250000 Sb\n0.750000 0.500000 0.750000 Sb\n0.750000 0.500000 0.250000 Sb\n0.250000 0.500000 0.750000 Sb\n0.500000 0.545996 0.357773 O\n0.500000 0.545996 0.642227 O\n0.000000 0.454004 0.142227 O\n0.000000 0.454004 0.857773 O\n0.500000 0.467421 0.144398 O\n0.500000 0.467421 0.855602 O\n0.000000 0.532579 0.355602 O\n0.000000 0.532579 0.644398 O\n0.253109 0.816237 0.228950 O\n0.746891 0.816237 0.771050 O\n0.753109 0.183763 0.271050 O\n0.246891 0.183763 0.728950 O\n0.246891 0.183763 0.271050 O\n0.753109 0.183763 0.728950 O\n0.746891 0.816237 0.228950 O\n0.253109 0.816237 0.771050 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 4.2778429236460225,
"density_atomic": 0.05026399577312452,
"volume": 477.4789515009564,
"volume_molar": 11.981022732816553,
"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy": -154.12320486,
"energy_per_atom": -6.421800202499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.13120486,
"band_gap": 2.2971,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.382000Z",
"spacegroup": 59
},
{
"id": "mp-1201140",
"created_at": "2022-09-04T14:41:49.890693Z",
"structure_string": "Tb22 Sn20\n1.0\n-5.850779 5.850779 8.597772\n5.850779 -5.850779 8.597772\n5.850779 5.850779 -8.597772\nTb Sn\n22 20\ndirect\n0.811135 0.063014 0.251879 Tb\n0.811135 0.559256 0.748121 Tb\n0.063014 0.811135 0.251879 Tb\n0.559256 0.811135 0.748121 Tb\n0.188865 0.936986 0.748121 Tb\n0.188865 0.440744 0.251879 Tb\n0.936986 0.188865 0.748121 Tb\n0.440744 0.188865 0.251879 Tb\n0.174425 0.174425 0.348851 Tb\n0.825575 0.825575 0.651149 Tb\n0.174425 0.825575 0.000000 Tb\n0.825575 0.174425 0.000000 Tb\n0.663089 0.663089 0.000000 Tb\n0.336911 0.336911 0.000000 Tb\n0.602099 0.931247 0.329147 Tb\n0.602099 0.272952 0.670853 Tb\n0.931247 0.602099 0.329147 Tb\n0.272952 0.602099 0.670853 Tb\n0.397901 0.068753 0.670853 Tb\n0.397901 0.727048 0.329147 Tb\n0.068753 0.397901 0.670853 Tb\n0.727048 0.397901 0.329147 Tb\n0.356640 0.000000 0.356640 Sn\n0.643360 0.000000 0.643360 Sn\n0.000000 0.643360 0.643360 Sn\n0.000000 0.356640 0.356640 Sn\n0.888316 0.888316 0.000000 Sn\n0.111684 0.111684 0.000000 Sn\n0.370573 0.370573 0.741145 Sn\n0.629427 0.629427 0.258855 Sn\n0.370573 0.629427 0.000000 Sn\n0.629427 0.370573 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.883024 0.883024 0.414038 Sn\n0.468986 0.468986 0.585962 Sn\n0.883024 0.468986 0.000000 Sn\n0.468986 0.883024 0.000000 Sn\n0.116976 0.116976 0.585962 Sn\n0.531014 0.531014 0.414038 Sn\n0.116976 0.531014 0.000000 Sn\n0.531014 0.116976 0.000000 Sn\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Tb",
"Sn"
],
"chemical_system": "Sn-Tb",
"density": 8.280473185769727,
"density_atomic": 0.03567598618878121,
"volume": 1177.262480643281,
"volume_molar": 16.880096118810982,
"formula_full": "Tb22 Sn20",
"formula_reduced": "Tb11Sn10",
"formula_anonymous": "A10B11",
"energy": -213.48087095,
"energy_per_atom": -5.082877879761905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.48087095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.119645,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.945000Z",
"spacegroup": 139
},
{
"id": "mp-1196265",
"created_at": "2022-09-04T14:41:50.533752Z",
"structure_string": "S6 O36\n1.0\n3.601252 6.505698 0.000000\n-3.601252 6.505698 0.000000\n0.000000 4.315042 12.970937\nS O\n6 36\ndirect\n0.918841 0.766707 0.085750 S\n0.233293 0.081159 0.414250 S\n0.081159 0.233293 0.914250 S\n0.766707 0.918841 0.585750 S\n0.587402 0.412598 0.750000 S\n0.412598 0.587402 0.250000 S\n0.941868 0.551201 0.136308 O\n0.448799 0.058132 0.363692 O\n0.058132 0.448799 0.863692 O\n0.551201 0.941868 0.636308 O\n0.128121 0.752256 0.031327 O\n0.247744 0.871879 0.468673 O\n0.871879 0.247744 0.968673 O\n0.752256 0.128121 0.531327 O\n0.763778 0.859526 0.011130 O\n0.140474 0.236222 0.488870 O\n0.236222 0.140474 0.988870 O\n0.859526 0.763778 0.511130 O\n0.833993 0.910744 0.165079 O\n0.089256 0.166007 0.334921 O\n0.166007 0.089256 0.834921 O\n0.910744 0.833993 0.665079 O\n0.397354 0.798190 0.200074 O\n0.201810 0.602646 0.299926 O\n0.602646 0.201810 0.799926 O\n0.798190 0.397354 0.700074 O\n0.567128 0.478885 0.326464 O\n0.521115 0.432872 0.173536 O\n0.432872 0.521115 0.673536 O\n0.478885 0.567128 0.826464 O\n0.098599 0.058511 0.144878 O\n0.941489 0.901401 0.355122 O\n0.901401 0.941489 0.855122 O\n0.058511 0.098599 0.644878 O\n0.488841 0.129506 0.193974 O\n0.870494 0.511159 0.306026 O\n0.511159 0.870494 0.806026 O\n0.129506 0.488841 0.693974 O\n0.434102 0.401267 0.510720 O\n0.598733 0.565898 0.989280 O\n0.565898 0.598733 0.489280 O\n0.401267 0.434102 0.010720 O\n",
"nsites": 42,
"nelements": 2,
"elements": [
"S",
"O"
],
"chemical_system": "O-S",
"density": 2.0992774271747034,
"density_atomic": 0.0691035777804545,
"volume": 607.7832921102303,
"volume_molar": 8.71465842062858,
"formula_full": "S6 O36",
"formula_reduced": "SO6",
"formula_anonymous": "AB6",
"energy": -215.67085507,
"energy_per_atom": -5.135020358809523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.93885507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0002853,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.442000Z",
"spacegroup": 15
},
{
"id": "mp-1094837",
"created_at": "2022-09-04T14:41:56.378483Z",
"structure_string": "Ce4 Mg2\n1.0\n1.614993 6.496288 0.000000\n-1.614993 6.496288 0.000000\n0.000000 1.767563 7.529010\nCe Mg\n4 2\ndirect\n0.798419 0.798419 0.142696 Ce\n0.138192 0.138192 0.466515 Ce\n0.861808 0.861808 0.533485 Ce\n0.201581 0.201581 0.857304 Ce\n0.527760 0.527760 0.185675 Mg\n0.472240 0.472240 0.814325 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.401995641807435,
"density_atomic": 0.03797934462465406,
"volume": 157.98060917842,
"volume_molar": 15.856357763716554,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -26.38190462,
"energy_per_atom": -4.396984103333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.38190462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3241135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.900000Z",
"spacegroup": 12
}
]
}