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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=1759",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=1757",
"results": [
{
"id": "mp-1232098",
"created_at": "2022-09-04T14:42:17.855917Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n3.864745 0.000000 0.000000\n0.000000 12.653181 0.000000\n0.000000 0.000000 13.492507\nTb Mg S\n8 4 16\ndirect\n0.250000 0.117512 0.075789 Tb\n0.750000 0.882488 0.924211 Tb\n0.750000 0.382488 0.575789 Tb\n0.250000 0.617512 0.424211 Tb\n0.250000 0.138520 0.705532 Tb\n0.750000 0.861480 0.294468 Tb\n0.750000 0.361480 0.205532 Tb\n0.250000 0.638520 0.794468 Tb\n0.750000 0.111082 0.453482 Mg\n0.250000 0.888918 0.546518 Mg\n0.250000 0.388918 0.953482 Mg\n0.750000 0.611082 0.046518 Mg\n0.750000 0.008183 0.615405 S\n0.250000 0.991817 0.384595 S\n0.250000 0.491817 0.115405 S\n0.750000 0.508183 0.884595 S\n0.250000 0.027152 0.883423 S\n0.750000 0.972848 0.116577 S\n0.750000 0.472848 0.383423 S\n0.250000 0.527152 0.616577 S\n0.250000 0.225396 0.248844 S\n0.750000 0.774604 0.751156 S\n0.750000 0.274604 0.748844 S\n0.250000 0.725396 0.251156 S\n0.750000 0.262163 0.016005 S\n0.250000 0.737837 0.983995 S\n0.250000 0.237837 0.516005 S\n0.750000 0.762163 0.483995 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tb",
"density": 4.735629093396914,
"density_atomic": 0.04243701368430088,
"volume": 659.8013754761047,
"volume_molar": 14.190774131281122,
"formula_full": "Tb8 Mg4 S16",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy": -168.63987228,
"energy_per_atom": -6.022852581428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
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"band_gap": 1.9492000000000005,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.898000Z",
"spacegroup": 62
},
{
"id": "mp-1193355",
"created_at": "2022-09-04T14:43:16.523941Z",
"structure_string": "Mg8 Sn4 S16\n1.0\n0.000000 0.000000 -6.267082\n0.000000 -7.627294 0.000000\n-13.107374 0.000000 0.000000\nMg Sn S\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.005298 0.750000 0.270283 Mg\n0.494702 0.750000 0.770283 Mg\n0.994702 0.250000 0.729717 Mg\n0.505298 0.250000 0.229717 Mg\n0.577593 0.750000 0.090720 Sn\n0.922407 0.750000 0.590720 Sn\n0.422407 0.250000 0.909280 Sn\n0.077593 0.250000 0.409280 Sn\n0.197271 0.750000 0.092421 S\n0.302729 0.750000 0.592421 S\n0.802729 0.250000 0.907579 S\n0.697271 0.250000 0.407579 S\n0.752590 0.750000 0.925272 S\n0.747410 0.750000 0.425272 S\n0.247410 0.250000 0.074728 S\n0.252590 0.250000 0.574728 S\n0.761336 0.994059 0.169614 S\n0.738664 0.505941 0.669614 S\n0.238664 0.494059 0.830386 S\n0.261336 0.005941 0.330386 S\n0.238664 0.005941 0.830386 S\n0.261336 0.494059 0.330386 S\n0.761336 0.505941 0.169614 S\n0.738664 0.994059 0.669614 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"S"
],
"chemical_system": "Mg-S-Sn",
"density": 3.1335207717818445,
"density_atomic": 0.04468960084580399,
"volume": 626.5439715295417,
"volume_molar": 13.475485674572617,
"formula_full": "Mg8 Sn4 S16",
"formula_reduced": "Mg2SnS4",
"formula_anonymous": "AB2C4",
"energy": -130.07375924,
"energy_per_atom": -4.645491401428571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -122.02575924,
"band_gap": 2.1256000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021761,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.338000Z",
"spacegroup": 62
},
{
"id": "mp-1247098",
"created_at": "2022-09-04T14:39:49.362474Z",
"structure_string": "Sm3 Mg2 W1 S8\n1.0\n6.884511 -0.000200 3.975005\n2.294724 6.274590 3.974858\n0.000118 -0.000086 7.949807\nSm Mg W S\n3 2 1 8\ndirect\n0.500002 0.500023 0.499978 Sm\n0.499999 0.499989 0.000001 Sm\n0.000002 0.499991 0.500012 Sm\n0.874629 0.876100 0.874639 Mg\n0.125372 0.123907 0.125359 Mg\n0.499999 0.999994 0.500007 W\n0.730940 0.772314 0.730932 S\n0.269050 0.227702 0.734184 S\n0.253574 0.739317 0.253555 S\n0.734189 0.227715 0.269037 S\n0.746410 0.260685 0.746432 S\n0.265808 0.772279 0.730967 S\n0.269058 0.227672 0.269086 S\n0.730971 0.772304 0.265813 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"W",
"S"
],
"chemical_system": "Mg-S-Sm-W",
"density": 4.545504987424757,
"density_atomic": 0.04076712857467065,
"volume": 343.4139339580186,
"volume_molar": 14.772050351718086,
"formula_full": "Sm3 Mg2 W1 S8",
"formula_reduced": "Sm3Mg2WS8",
"formula_anonymous": "AB2C3D8",
"energy": -87.53701767,
"energy_per_atom": -6.252644119285714,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -83.51301767,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.9999967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.626000Z",
"spacegroup": 166
},
{
"id": "mp-1246973",
"created_at": "2022-09-04T14:43:08.714178Z",
"structure_string": "Sm2 Mg2 W2 S8\n1.0\n6.713398 -0.000076 3.876072\n2.258882 6.239276 3.839419\n0.049576 -0.009831 7.666276\nSm Mg W S\n2 2 2 8\ndirect\n0.500002 0.500023 0.499973 Sm\n0.999995 0.499989 0.500019 Sm\n0.873632 0.876370 0.876370 Mg\n0.126384 0.123623 0.123618 Mg\n0.500000 0.499994 0.000006 W\n0.499998 0.999999 0.500006 W\n0.709721 0.757470 0.757469 S\n0.268454 0.227778 0.735327 S\n0.268444 0.735332 0.227766 S\n0.724662 0.242533 0.242530 S\n0.731529 0.264668 0.772223 S\n0.275341 0.757460 0.757476 S\n0.290275 0.242520 0.242550 S\n0.731567 0.772236 0.264669 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"W",
"S"
],
"chemical_system": "Mg-S-Sm-W",
"density": 5.050485057461755,
"density_atomic": 0.04373837961434253,
"volume": 320.08501740218037,
"volume_molar": 13.768550214021284,
"formula_full": "Sm2 Mg2 W2 S8",
"formula_reduced": "SmMgWS4",
"formula_anonymous": "ABCD4",
"energy": -90.53990089,
"energy_per_atom": -6.467135777857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.51590089,
"band_gap": 0.0,
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"total_magnetization": 5.5369601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.936000Z",
"spacegroup": 74
},
{
"id": "mp-1246776",
"created_at": "2022-09-04T14:47:16.906359Z",
"structure_string": "Sm1 Mg2 W3 S8\n1.0\n6.555982 0.003500 3.923499\n2.188645 6.179920 3.923465\n0.221789 0.156784 7.461514\nSm Mg W S\n1 2 3 8\ndirect\n0.500002 0.500013 0.499980 Sm\n0.876223 0.876226 0.867877 Mg\n0.123772 0.123768 0.132151 Mg\n0.500178 0.500172 0.999649 W\n0.999845 0.499992 0.500174 W\n0.499998 0.999844 0.500168 W\n0.742796 0.742796 0.735036 S\n0.239998 0.239998 0.725078 S\n0.244917 0.730086 0.239647 S\n0.730087 0.244920 0.239645 S\n0.755074 0.269816 0.760334 S\n0.269814 0.755082 0.760342 S\n0.257306 0.257297 0.264952 S\n0.759994 0.759985 0.274967 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"W",
"S"
],
"chemical_system": "Mg-S-Sm-W",
"density": 5.6840456895245985,
"density_atomic": 0.04758857661451686,
"volume": 294.1882484404736,
"volume_molar": 12.654593157474162,
"formula_full": "Sm1 Mg2 W3 S8",
"formula_reduced": "SmMg2W3S8",
"formula_anonymous": "AB2C3D8",
"energy": -94.22876574,
"energy_per_atom": -6.730626124285714,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -90.20476574,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.663000Z",
"spacegroup": 12
},
{
"id": "mp-1247305",
"created_at": "2022-09-04T14:48:20.616053Z",
"structure_string": "Sm1 Mg2 V3 S8\n1.0\n6.466013 0.071282 3.846920\n2.221701 6.073054 3.848089\n0.090379 0.065463 7.537233\nSm Mg V S\n1 2 3 8\ndirect\n0.499985 0.500002 0.500003 Sm\n0.871853 0.873244 0.873267 Mg\n0.128145 0.126798 0.126707 Mg\n0.499894 0.500034 0.000038 V\n0.000009 0.499984 0.500013 V\n0.500109 0.999954 0.499952 V\n0.738880 0.737866 0.739546 S\n0.242219 0.240501 0.723887 S\n0.242056 0.722717 0.241586 S\n0.724183 0.241104 0.241279 S\n0.757852 0.277332 0.758475 S\n0.275819 0.758973 0.758655 S\n0.261136 0.262061 0.260520 S\n0.757863 0.759425 0.276073 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"V",
"S"
],
"chemical_system": "Mg-S-Sm-V",
"density": 3.4637888728262265,
"density_atomic": 0.04800673636286129,
"volume": 291.62573964995886,
"volume_molar": 12.54436609579404,
"formula_full": "Sm1 Mg2 V3 S8",
"formula_reduced": "SmMg2V3S8",
"formula_anonymous": "AB2C3D8",
"energy": -88.46956585,
"energy_per_atom": -6.319254703571429,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.117000Z",
"spacegroup": 166
},
{
"id": "mp-1247075",
"created_at": "2022-09-04T14:45:57.042595Z",
"structure_string": "Sm2 Mg2 V2 S8\n1.0\n6.733398 -0.000343 3.887652\n2.271652 6.196365 3.839981\n0.084306 0.001295 7.629286\nSm Mg V S\n2 2 2 8\ndirect\n0.500010 0.500013 0.499974 Sm\n0.000003 0.499992 0.500016 Sm\n0.877054 0.873054 0.872855 Mg\n0.122951 0.126937 0.127152 Mg\n0.499989 0.499993 0.000005 V\n0.499958 0.000030 0.500000 V\n0.707485 0.757019 0.757041 S\n0.270567 0.224869 0.733971 S\n0.270624 0.734012 0.224785 S\n0.721546 0.243006 0.242934 S\n0.729364 0.265985 0.775202 S\n0.278469 0.756985 0.757062 S\n0.292520 0.242964 0.242973 S\n0.729465 0.775136 0.266032 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mg",
"V",
"S"
],
"chemical_system": "Mg-S-Sm-V",
"density": 3.7159114336566637,
"density_atomic": 0.0442664654581176,
"volume": 316.26649779043237,
"volume_molar": 13.604295481187233,
"formula_full": "Sm2 Mg2 V2 S8",
"formula_reduced": "SmMgVS4",
"formula_anonymous": "ABCD4",
"energy": -86.77431452,
"energy_per_atom": -6.198165322857143,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:08.763000Z",
"spacegroup": 74
},
{
"id": "mp-1247050",
"created_at": "2022-09-04T14:44:08.612674Z",
"structure_string": "Sm3 Mg2 V1 S8\n1.0\n6.859184 0.006492 3.949393\n2.286707 6.315203 3.959159\n-0.005492 0.008200 7.908317\nSm Mg V S\n3 2 1 8\ndirect\n0.499979 0.500041 0.499985 Sm\n0.499949 0.499986 0.999998 Sm\n0.999995 0.499977 0.499982 Sm\n0.876286 0.873511 0.876136 Mg\n0.123720 0.126480 0.123882 Mg\n0.500108 0.000010 0.499998 V\n0.727416 0.776821 0.727354 S\n0.270960 0.225441 0.733276 S\n0.252326 0.741649 0.252285 S\n0.733351 0.225709 0.270833 S\n0.747636 0.258339 0.747698 S\n0.266658 0.774292 0.729155 S\n0.272584 0.223173 0.272679 S\n0.729036 0.774567 0.266741 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"V",
"S"
],
"chemical_system": "Mg-S-Sm-V",
"density": 3.914029886077159,
"density_atomic": 0.040883495216608765,
"volume": 342.43647530195886,
"volume_molar": 14.73000468304757,
"formula_full": "Sm3 Mg2 V1 S8",
"formula_reduced": "Sm3Mg2VS8",
"formula_anonymous": "AB2C3D8",
"energy": -85.48438578,
"energy_per_atom": -6.106027555714285,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -81.46038578,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.619000Z",
"spacegroup": 166
},
{
"id": "mp-1247097",
"created_at": "2022-09-04T14:42:21.206435Z",
"structure_string": "Sm2 Mg2 Ti2 S8\n1.0\n6.813259 0.000493 3.933142\n2.270206 6.211740 3.935414\n0.100482 0.073922 7.692286\nSm Mg Ti S\n2 2 2 8\ndirect\n0.500003 0.500017 0.499975 Sm\n0.000002 0.499991 0.500012 Sm\n0.876886 0.872997 0.873218 Mg\n0.123113 0.127012 0.126787 Mg\n0.499996 0.499997 0.999999 Ti\n0.500000 0.999989 0.500009 Ti\n0.716054 0.755708 0.756300 S\n0.270102 0.226196 0.733606 S\n0.270231 0.733721 0.225813 S\n0.728069 0.244300 0.243690 S\n0.729752 0.266281 0.774173 S\n0.271933 0.755695 0.756305 S\n0.283946 0.244280 0.243717 S\n0.729918 0.773811 0.266396 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Sm-Ti",
"density": 3.6206330803455127,
"density_atomic": 0.043509468404016156,
"volume": 321.7690427747843,
"volume_molar": 13.840989055715802,
"formula_full": "Sm2 Mg2 Ti2 S8",
"formula_reduced": "SmMgTiS4",
"formula_anonymous": "ABCD4",
"energy": -86.97121714000001,
"energy_per_atom": -6.212229795714286,
"energy_above_hull": null,
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"energy_uncorrected": -82.94721714,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.596000Z",
"spacegroup": 74
},
{
"id": "mp-1246585",
"created_at": "2022-09-04T14:46:07.086020Z",
"structure_string": "Sm1 Mg2 Ti3 S8\n1.0\n6.540944 0.112986 3.960517\n2.286657 6.131872 3.958999\n0.167213 0.117644 7.630833\nSm Mg Ti S\n1 2 3 8\ndirect\n0.500001 0.500016 0.499979 Sm\n0.873051 0.872477 0.871891 Mg\n0.126952 0.127526 0.128111 Mg\n0.500001 0.499994 0.000000 Ti\n0.999998 0.499993 0.500013 Ti\n0.500000 0.999992 0.500009 Ti\n0.741030 0.741278 0.741590 S\n0.242769 0.242649 0.727703 S\n0.243160 0.727750 0.242255 S\n0.727141 0.243332 0.242556 S\n0.756829 0.272253 0.757730 S\n0.272861 0.756661 0.757443 S\n0.258968 0.258712 0.258428 S\n0.757243 0.757361 0.272295 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Sm-Ti",
"density": 3.3369511428792396,
"density_atomic": 0.046960854524686166,
"volume": 298.1206398755062,
"volume_molar": 12.823746119939766,
"formula_full": "Sm1 Mg2 Ti3 S8",
"formula_reduced": "SmMg2Ti3S8",
"formula_anonymous": "AB2C3D8",
"energy": -88.64450111000001,
"energy_per_atom": -6.331750079285714,
"energy_above_hull": null,
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"energy_uncorrected": -84.62050111,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.484000Z",
"spacegroup": 166
},
{
"id": "mp-1247047",
"created_at": "2022-09-04T14:39:44.954286Z",
"structure_string": "Sm3 Mg2 Ti1 S8\n1.0\n6.866450 0.000086 3.964321\n2.288876 6.328469 3.964336\n-0.000051 -0.000002 7.928732\nSm Mg Ti S\n3 2 1 8\ndirect\n0.500002 0.500018 0.499981 Sm\n0.499996 0.499993 0.999999 Sm\n0.000001 0.499993 0.500011 Sm\n0.875148 0.874544 0.875164 Mg\n0.124852 0.125463 0.124834 Mg\n0.499997 -0.000003 0.500011 Ti\n0.731411 0.771453 0.731415 S\n0.268603 0.228551 0.734263 S\n0.253044 0.740855 0.253047 S\n0.734279 0.228554 0.268579 S\n0.746942 0.259147 0.746938 S\n0.265721 0.771445 0.731415 S\n0.268588 0.228530 0.268605 S\n0.731420 0.771453 0.265737 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Sm-Ti",
"density": 3.8753629987707043,
"density_atomic": 0.04063438461224633,
"volume": 344.53579483471987,
"volume_molar": 14.820307523951172,
"formula_full": "Sm3 Mg2 Ti1 S8",
"formula_reduced": "Sm3Mg2TiS8",
"formula_anonymous": "AB2C3D8",
"energy": -85.70574672000001,
"energy_per_atom": -6.121839051428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.68174672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.137000Z",
"spacegroup": 166
},
{
"id": "mp-1232277",
"created_at": "2022-09-04T14:46:21.522594Z",
"structure_string": "Sm6 Mg6 S18\n1.0\n6.855687 0.000000 0.000000\n-3.427843 5.937199 0.000000\n0.000000 0.000000 17.754389\nSm Mg S\n6 6 18\ndirect\n0.000000 0.000000 0.354992 Sm\n0.000000 0.000000 0.645008 Sm\n0.666667 0.333333 0.688325 Sm\n0.666667 0.333333 0.978341 Sm\n0.333333 0.666667 0.021659 Sm\n0.333333 0.666667 0.311675 Sm\n0.000000 0.000000 0.153479 Mg\n0.000000 0.000000 0.846521 Mg\n0.666667 0.333333 0.486812 Mg\n0.666667 0.333333 0.179854 Mg\n0.333333 0.666667 0.820146 Mg\n0.333333 0.666667 0.513188 Mg\n0.983942 0.360558 0.581358 S\n0.016058 0.639442 0.418642 S\n0.639442 0.623384 0.581358 S\n0.360558 0.376616 0.418642 S\n0.376616 0.016058 0.581358 S\n0.623384 0.983942 0.418642 S\n0.650609 0.693891 0.914691 S\n0.682725 0.972775 0.751975 S\n0.306109 0.956717 0.914691 S\n0.027225 0.709949 0.751975 S\n0.043283 0.349391 0.914691 S\n0.290051 0.317275 0.751975 S\n0.317275 0.027225 0.248025 S\n0.349391 0.306109 0.085309 S\n0.972775 0.290051 0.248025 S\n0.693891 0.043283 0.085309 S\n0.709949 0.682725 0.248025 S\n0.956717 0.650609 0.085309 S\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"S"
],
"chemical_system": "Mg-S-Sm",
"density": 3.7342802165657254,
"density_atomic": 0.04151288693275784,
"volume": 722.6671575165008,
"volume_molar": 14.506677817311532,
"formula_full": "Sm6 Mg6 S18",
"formula_reduced": "SmMgS3",
"formula_anonymous": "ABC3",
"energy": -160.63475761,
"energy_per_atom": -5.354491920333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -151.58075761,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 4.0884582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.295000Z",
"spacegroup": 148
}
]
}