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=10209",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10207",
"results": [
{
"id": "mp-1225506",
"created_at": "2022-09-04T14:39:41.686402Z",
"structure_string": "Er1 Ag1 Sn2\n1.0\n4.622715 0.000000 0.000000\n0.000000 4.622715 0.000000\n0.000000 0.000000 4.423535\nEr Ag Sn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Ag",
"Sn"
],
"chemical_system": "Ag-Er-Sn",
"density": 9.003663526885283,
"density_atomic": 0.04231518902713269,
"volume": 94.52870451400281,
"volume_molar": 14.231629111094309,
"formula_full": "Er1 Ag1 Sn2",
"formula_reduced": "ErAgSn2",
"formula_anonymous": "ABC2",
"energy": -17.08629091,
"energy_per_atom": -4.2715727275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.08629091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.054000Z",
"spacegroup": 123
},
{
"id": "mp-1201464",
"created_at": "2022-09-04T14:39:32.874982Z",
"structure_string": "Cs8 Cu40 S24\n1.0\n13.084112 0.000000 0.000000\n0.000000 13.084112 0.000000\n0.000000 0.000000 7.806430\nCs Cu S\n8 40 24\ndirect\n0.615272 0.111293 0.625801 Cs\n0.115272 0.388707 0.874199 Cs\n0.384728 0.888707 0.625801 Cs\n0.884728 0.611293 0.874199 Cs\n0.888707 0.615272 0.374199 Cs\n0.611293 0.115272 0.125801 Cs\n0.111293 0.384728 0.374199 Cs\n0.388707 0.884728 0.125801 Cs\n0.508286 0.384492 0.602726 Cu\n0.008286 0.115508 0.897274 Cu\n0.491714 0.615508 0.602726 Cu\n0.991714 0.884492 0.897274 Cu\n0.615508 0.508286 0.397274 Cu\n0.884492 0.008286 0.102726 Cu\n0.384492 0.491714 0.397274 Cu\n0.115508 0.991714 0.102726 Cu\n0.900544 0.021998 0.636919 Cu\n0.400544 0.478002 0.863081 Cu\n0.099456 0.978002 0.636919 Cu\n0.599456 0.521998 0.863081 Cu\n0.978002 0.900544 0.363081 Cu\n0.521998 0.400544 0.136919 Cu\n0.021998 0.099456 0.363081 Cu\n0.478002 0.599456 0.136919 Cu\n0.647799 0.780662 0.634749 Cu\n0.147799 0.719338 0.865251 Cu\n0.352201 0.219338 0.634749 Cu\n0.852201 0.280662 0.865251 Cu\n0.219338 0.647799 0.365251 Cu\n0.280662 0.147799 0.134749 Cu\n0.780662 0.352201 0.365251 Cu\n0.719338 0.852201 0.134749 Cu\n0.891214 0.219819 0.535993 Cu\n0.391214 0.280181 0.964007 Cu\n0.108786 0.780181 0.535993 Cu\n0.608786 0.719819 0.964007 Cu\n0.780181 0.891214 0.464007 Cu\n0.719819 0.391214 0.035993 Cu\n0.219819 0.108786 0.464007 Cu\n0.280181 0.608786 0.035993 Cu\n0.714993 0.397172 0.684255 Cu\n0.214993 0.102828 0.815745 Cu\n0.285007 0.602828 0.684255 Cu\n0.785007 0.897172 0.815745 Cu\n0.602828 0.714993 0.315745 Cu\n0.897172 0.214993 0.184255 Cu\n0.397172 0.285007 0.315745 Cu\n0.102828 0.785007 0.184255 Cu\n0.880725 0.380861 0.620330 S\n0.380725 0.119139 0.879670 S\n0.119275 0.619139 0.620330 S\n0.619275 0.880861 0.879670 S\n0.619139 0.880725 0.379670 S\n0.880861 0.380725 0.120330 S\n0.380861 0.119275 0.379670 S\n0.119139 0.619275 0.120330 S\n0.910416 0.840798 0.631151 S\n0.410416 0.659202 0.868849 S\n0.089584 0.159202 0.631151 S\n0.589584 0.340798 0.868849 S\n0.159202 0.910416 0.368849 S\n0.340798 0.410416 0.131151 S\n0.840798 0.089584 0.368849 S\n0.659202 0.589584 0.131151 S\n0.665556 0.605601 0.627000 S\n0.165556 0.894399 0.873000 S\n0.334444 0.394399 0.627000 S\n0.834444 0.105601 0.873000 S\n0.394399 0.665556 0.373000 S\n0.105601 0.165556 0.127000 S\n0.605601 0.334444 0.373000 S\n0.894399 0.834444 0.127000 S\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Cs",
"Cu",
"S"
],
"chemical_system": "Cs-Cu-S",
"density": 5.435641430823408,
"density_atomic": 0.05387552566502696,
"volume": 1336.4138745979506,
"volume_molar": 11.177878425619232,
"formula_full": "Cs8 Cu40 S24",
"formula_reduced": "CsCu5S3",
"formula_anonymous": "AB3C5",
"energy": -307.55201663,
"energy_per_atom": -4.271555786527778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -295.48001663,
"band_gap": 0.7810999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.043000Z",
"spacegroup": 114
},
{
"id": "mp-1180133",
"created_at": "2022-09-04T14:41:06.307409Z",
"structure_string": "Na1 Ca1 H6 Ir1\n1.0\n0.000000 3.613039 3.613039\n3.613039 0.000000 3.613039\n3.613039 3.613039 0.000000\nNa Ca H Ir\n1 1 6 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.767384 0.232616 0.232616 H\n0.232616 0.767384 0.232616 H\n0.767384 0.767384 0.232616 H\n0.232616 0.767384 0.767384 H\n0.767384 0.232616 0.767384 H\n0.232616 0.232616 0.767384 H\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Ca",
"H",
"Ir"
],
"chemical_system": "Ca-H-Ir-Na",
"density": 4.600387616413313,
"density_atomic": 0.0954101470852909,
"volume": 94.32958940891837,
"volume_molar": 6.311845169483462,
"formula_full": "Na1 Ca1 H6 Ir1",
"formula_reduced": "NaCaH6Ir",
"formula_anonymous": "ABCD6",
"energy": -38.44377956,
"energy_per_atom": -4.2715310622222225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.36977956,
"band_gap": 3.4213,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003037,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.336000Z",
"spacegroup": 216
},
{
"id": "mp-1219712",
"created_at": "2022-09-04T14:46:16.888549Z",
"structure_string": "Pr1 Zn1 Ag1 As2\n1.0\n2.174921 -3.767074 0.000000\n2.174921 3.767074 0.000000\n0.000000 0.000000 6.986007\nPr Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985831 Pr\n0.666667 0.333333 0.374305 Zn\n0.333333 0.666667 0.637921 Ag\n0.333333 0.666667 0.249380 As\n0.666667 0.333333 0.752565 As\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Ag",
"As"
],
"chemical_system": "Ag-As-Pr-Zn",
"density": 6.731109896172739,
"density_atomic": 0.04367806135834836,
"volume": 114.47394514556059,
"volume_molar": 13.787564220381693,
"formula_full": "Pr1 Zn1 Ag1 As2",
"formula_reduced": "PrZnAgAs2",
"formula_anonymous": "ABCD2",
"energy": -21.3574151,
"energy_per_atom": -4.27148302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.3574151,
"band_gap": 0.0655999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.794000Z",
"spacegroup": 156
},
{
"id": "mp-995196",
"created_at": "2022-09-04T14:45:42.840556Z",
"structure_string": "C1 O3\n1.0\n3.542026 0.000000 0.000000\n0.000000 3.542026 0.000000\n0.000000 0.000000 2.630081\nC O\n1 3\ndirect\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 3.01989713421928,
"density_atomic": 0.12122365601951642,
"volume": 32.99685994750084,
"volume_molar": 4.967793381046406,
"formula_full": "C1 O3",
"formula_reduced": "CO3",
"formula_anonymous": "AB3",
"energy": -17.08561872,
"energy_per_atom": -4.27140468,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.02461872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0394479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.478000Z",
"spacegroup": 123
},
{
"id": "mp-768199",
"created_at": "2022-09-04T14:47:23.600369Z",
"structure_string": "Li12 Sb4 S12\n1.0\n8.295702 0.000000 0.000000\n0.000000 8.295702 0.000000\n0.000000 0.000000 8.295702\nLi Sb S\n12 4 12\ndirect\n0.019086 0.019086 0.019086 Li\n0.209627 0.290373 0.709627 Li\n0.215025 0.715025 0.784975 Li\n0.284975 0.284975 0.284975 Li\n0.290373 0.709627 0.209627 Li\n0.480914 0.980914 0.519086 Li\n0.519086 0.480914 0.980914 Li\n0.709627 0.209627 0.290373 Li\n0.715025 0.784975 0.215025 Li\n0.784975 0.215025 0.715025 Li\n0.790373 0.790373 0.790373 Li\n0.980914 0.519086 0.480914 Li\n0.039192 0.960808 0.460808 Sb\n0.460808 0.039192 0.960808 Sb\n0.539192 0.539192 0.539192 Sb\n0.960808 0.460808 0.039192 Sb\n0.998492 0.245420 0.383319 S\n0.116681 0.001508 0.745420 S\n0.245420 0.383319 0.998492 S\n0.254580 0.616681 0.498492 S\n0.383319 0.998492 0.245420 S\n0.501508 0.754580 0.883319 S\n0.498492 0.254580 0.616681 S\n0.616681 0.498492 0.254580 S\n0.745420 0.116681 0.001508 S\n0.754580 0.883319 0.501508 S\n0.883319 0.501508 0.754580 S\n0.001508 0.745420 0.116681 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.77807502717571,
"density_atomic": 0.04904543635884432,
"volume": 570.8991922334235,
"volume_molar": 12.278697483571339,
"formula_full": "Li12 Sb4 S12",
"formula_reduced": "Li3SbS3",
"formula_anonymous": "AB3C3",
"energy": -119.59887767,
"energy_per_atom": -4.271388488214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.56287767,
"band_gap": 1.9811,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.471000Z",
"spacegroup": 198
},
{
"id": "mp-1191044",
"created_at": "2022-09-04T14:41:50.898661Z",
"structure_string": "Ba2 Re2 H18\n1.0\n10.464772 0.000000 0.000000\n0.000000 3.685751 0.000000\n0.000000 0.035066 5.061920\nBa Re H\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.750000 0.549761 0.532839 Re\n0.250000 0.450239 0.467161 Re\n0.750000 0.493865 0.863723 H\n0.250000 0.506135 0.136277 H\n0.597325 0.503836 0.649782 H\n0.097325 0.496164 0.350218 H\n0.402675 0.496164 0.350218 H\n0.902675 0.503836 0.649782 H\n0.532151 0.946433 0.502911 H\n0.032151 0.053567 0.497089 H\n0.467849 0.053567 0.497089 H\n0.967849 0.946433 0.502911 H\n0.646792 0.497566 0.263955 H\n0.146792 0.502434 0.736045 H\n0.353208 0.502434 0.736045 H\n0.853208 0.497566 0.263955 H\n0.750000 0.943049 0.708601 H\n0.250000 0.056951 0.291399 H\n0.750000 0.948767 0.358626 H\n0.250000 0.051233 0.641374 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Re",
"H"
],
"chemical_system": "Ba-H-Re",
"density": 5.657667592109312,
"density_atomic": 0.11268124608423906,
"volume": 195.24100739490476,
"volume_molar": 5.344403766619624,
"formula_full": "Ba2 Re2 H18",
"formula_reduced": "BaReH9",
"formula_anonymous": "ABC9",
"energy": -93.96858661,
"energy_per_atom": -4.271299391363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.74658661,
"band_gap": 0.1347,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.774000Z",
"spacegroup": 11
},
{
"id": "mp-1210045",
"created_at": "2022-09-04T14:40:35.766270Z",
"structure_string": "Ni4 Cl8 O48\n1.0\n9.632190 0.000000 0.000000\n0.000000 9.632190 0.000000\n0.000000 0.000000 9.632190\nNi Cl O\n4 8 48\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.253328 0.253328 0.253328 Cl\n0.746672 0.746672 0.746672 Cl\n0.246672 0.746672 0.753328 Cl\n0.746672 0.753328 0.246672 Cl\n0.753328 0.253328 0.246672 Cl\n0.253328 0.246672 0.753328 Cl\n0.753328 0.246672 0.746672 Cl\n0.246672 0.753328 0.253328 Cl\n0.140542 0.338870 0.186818 O\n0.859458 0.661130 0.813182 O\n0.359458 0.661130 0.686818 O\n0.859458 0.838870 0.313182 O\n0.186818 0.140542 0.338870 O\n0.640542 0.338870 0.313182 O\n0.140542 0.161130 0.686818 O\n0.813182 0.859458 0.661130 O\n0.640542 0.161130 0.813182 O\n0.686818 0.359458 0.661130 O\n0.359458 0.838870 0.186818 O\n0.313182 0.640542 0.338870 O\n0.313182 0.859458 0.838870 O\n0.686818 0.140542 0.161130 O\n0.813182 0.640542 0.161130 O\n0.186818 0.359458 0.838870 O\n0.338870 0.186818 0.140542 O\n0.661130 0.813182 0.859458 O\n0.838870 0.313182 0.859458 O\n0.161130 0.686818 0.140542 O\n0.161130 0.813182 0.640542 O\n0.838870 0.186818 0.359458 O\n0.661130 0.686818 0.359458 O\n0.338870 0.313182 0.640542 O\n0.190056 0.450904 0.465476 O\n0.809944 0.549096 0.534524 O\n0.309944 0.549096 0.965476 O\n0.809944 0.950904 0.034524 O\n0.465476 0.190056 0.450904 O\n0.690056 0.450904 0.034524 O\n0.190056 0.049096 0.965476 O\n0.534524 0.809944 0.549096 O\n0.690056 0.049096 0.534524 O\n0.965476 0.309944 0.549096 O\n0.309944 0.950904 0.465476 O\n0.034524 0.690056 0.450904 O\n0.034524 0.809944 0.950904 O\n0.965476 0.190056 0.049096 O\n0.534524 0.690056 0.049096 O\n0.465476 0.309944 0.950904 O\n0.450904 0.465476 0.190056 O\n0.549096 0.534524 0.809944 O\n0.950904 0.034524 0.809944 O\n0.049096 0.965476 0.190056 O\n0.049096 0.534524 0.690056 O\n0.950904 0.465476 0.309944 O\n0.549096 0.965476 0.309944 O\n0.450904 0.034524 0.690056 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Ni",
"Cl",
"O"
],
"chemical_system": "Cl-Ni-O",
"density": 2.390228791709543,
"density_atomic": 0.0671391947810952,
"volume": 893.6657670028322,
"volume_molar": 8.969635068807365,
"formula_full": "Ni4 Cl8 O48",
"formula_reduced": "Ni(ClO6)2",
"formula_anonymous": "AB2C12",
"energy": -256.27037138000003,
"energy_per_atom": -4.271172856333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.13037138,
"band_gap": 0.0112,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.0007638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.681000Z",
"spacegroup": 205
},
{
"id": "mp-1188784",
"created_at": "2022-09-04T14:43:08.259821Z",
"structure_string": "Li4 Cd2 Sn2 S8\n1.0\n6.575684 0.000000 0.000000\n0.000000 7.044386 0.000000\n0.000000 0.000000 8.076993\nLi Cd Sn S\n4 2 2 8\ndirect\n0.195348 0.332073 0.746639 Li\n0.195348 0.332073 0.253361 Li\n0.695348 0.667927 0.753361 Li\n0.695348 0.667927 0.246639 Li\n0.195147 0.842564 0.000000 Cd\n0.695147 0.157436 0.500000 Cd\n0.691606 0.170960 0.000000 Sn\n0.191606 0.829040 0.500000 Sn\n0.323314 0.186979 0.000000 S\n0.823314 0.813021 0.500000 S\n0.802484 0.842060 0.000000 S\n0.302484 0.157940 0.500000 S\n0.821147 0.338490 0.759174 S\n0.821147 0.338490 0.240826 S\n0.321147 0.661510 0.740826 S\n0.321147 0.661510 0.259174 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cd",
"Sn",
"S"
],
"chemical_system": "Cd-Li-S-Sn",
"density": 3.313296097401023,
"density_atomic": 0.042764775474671765,
"volume": 374.1396937644697,
"volume_molar": 14.082011873455818,
"formula_full": "Li4 Cd2 Sn2 S8",
"formula_reduced": "Li2CdSnS4",
"formula_anonymous": "ABC2D4",
"energy": -68.33704699,
"energy_per_atom": -4.271065436875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.31304699,
"band_gap": 1.9513,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.998000Z",
"spacegroup": 31
},
{
"id": "mp-1111727",
"created_at": "2022-09-04T14:46:14.229983Z",
"structure_string": "Rb2 La1 Ag1 Cl6\n1.0\n0.000000 5.514615 5.514615\n5.514615 0.000000 5.514615\n5.514615 5.514615 0.000000\nRb La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ag\n0.749185 0.250815 0.250815 Cl\n0.250815 0.250815 0.749185 Cl\n0.250815 0.749185 0.749185 Cl\n0.250815 0.749185 0.250815 Cl\n0.749185 0.250815 0.749185 Cl\n0.749185 0.749185 0.250815 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"La",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-La-Rb",
"density": 3.121105861747568,
"density_atomic": 0.02981428584585238,
"volume": 335.4096774849011,
"volume_molar": 20.198842900802774,
"formula_full": "Rb2 La1 Ag1 Cl6",
"formula_reduced": "Rb2LaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.70957345,
"energy_per_atom": -4.270957345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.02557345,
"band_gap": 3.573,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.602000Z",
"spacegroup": 225
},
{
"id": "mp-1210457",
"created_at": "2022-09-04T14:42:25.482727Z",
"structure_string": "Na2 Ce2 Ag2 Te8\n1.0\n4.456437 0.000000 0.000000\n0.000000 4.456437 0.000000\n0.000000 0.000000 20.410357\nNa Ce Ag Te\n2 2 2 8\ndirect\n0.000000 0.500000 0.137130 Na\n0.500000 0.000000 0.862870 Na\n0.000000 0.500000 0.604221 Ce\n0.500000 0.000000 0.395779 Ce\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.277384 Te\n0.500000 0.500000 0.722616 Te\n0.000000 0.500000 0.441542 Te\n0.500000 0.000000 0.558458 Te\n0.000000 0.000000 0.722616 Te\n0.500000 0.500000 0.277384 Te\n0.000000 0.500000 0.909022 Te\n0.500000 0.000000 0.090978 Te\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"Ce",
"Ag",
"Te"
],
"chemical_system": "Ag-Ce-Na-Te",
"density": 6.401944257755683,
"density_atomic": 0.0345383743135298,
"volume": 405.34623526028975,
"volume_molar": 17.43608632338243,
"formula_full": "Na2 Ce2 Ag2 Te8",
"formula_reduced": "NaCeAgTe4",
"formula_anonymous": "ABCD4",
"energy": -59.7930818,
"energy_per_atom": -4.270934414285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.41708179999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3000759,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.177000Z",
"spacegroup": 129
},
{
"id": "mp-1190284",
"created_at": "2022-09-04T14:46:08.223228Z",
"structure_string": "Bi8 Se9\n1.0\n-2.123142 -3.677389 0.000000\n2.123142 -3.677389 0.000000\n0.000000 -2.451593 33.967134\nBi Se\n8 9\ndirect\n0.175575 0.175575 0.473275 Bi\n0.824425 0.824425 0.526725 Bi\n0.116565 0.116565 0.650305 Bi\n0.883435 0.883435 0.349695 Bi\n0.352178 0.352178 0.943467 Bi\n0.647822 0.647822 0.056533 Bi\n0.412206 0.412206 0.763383 Bi\n0.587794 0.587794 0.236617 Bi\n0.000000 0.000000 0.000000 Se\n0.063909 0.063909 0.808274 Se\n0.936091 0.936091 0.191726 Se\n0.235151 0.235151 0.294546 Se\n0.764849 0.764849 0.705454 Se\n0.299350 0.299350 0.101949 Se\n0.700650 0.700650 0.898051 Se\n0.465419 0.465419 0.603743 Se\n0.534581 0.534581 0.396257 Se\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.458842382657096,
"density_atomic": 0.03205098691815073,
"volume": 530.404884049694,
"volume_molar": 18.789252185521978,
"formula_full": "Bi8 Se9",
"formula_reduced": "Bi8Se9",
"formula_anonymous": "A8B9",
"energy": -72.60569976000001,
"energy_per_atom": -4.270923515294118,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.35769976,
"band_gap": 0.0025000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.896000Z",
"spacegroup": 166
}
]
}