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=volume_molar&page=11564",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=11562",
"results": [
{
"id": "mp-979951",
"created_at": "2022-09-04T14:42:09.303286Z",
"structure_string": "Yb3 U1\n1.0\n-2.578095 2.578095 5.354561\n2.578095 -2.578095 5.354561\n2.578095 2.578095 -5.354561\nYb U\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"U"
],
"chemical_system": "U-Yb",
"density": 8.831789389391929,
"density_atomic": 0.02809818685942383,
"volume": 142.35794003407173,
"volume_molar": 21.43248882972048,
"formula_full": "Yb3 U1",
"formula_reduced": "Yb3U",
"formula_anonymous": "AB3",
"energy": -13.38010916,
"energy_per_atom": -3.34502729,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.38010916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2751435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.334000Z",
"spacegroup": 139
},
{
"id": "mp-1070375",
"created_at": "2022-09-04T14:46:57.349817Z",
"structure_string": "Cs1 Sn1 Cl3\n1.0\n5.624882 0.000000 0.000000\n0.000000 5.624882 0.000000\n0.000000 0.000000 5.624882\nCs Sn Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Sn",
"Cl"
],
"chemical_system": "Cl-Cs-Sn",
"density": 3.340110862276889,
"density_atomic": 0.028095046541486975,
"volume": 177.9673150787159,
"volume_molar": 21.434884441665954,
"formula_full": "Cs1 Sn1 Cl3",
"formula_reduced": "CsSnCl3",
"formula_anonymous": "ABC3",
"energy": -19.48856822,
"energy_per_atom": -3.8977136440000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.64656822,
"band_gap": 0.9787,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005792,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.679000Z",
"spacegroup": 221
},
{
"id": "mp-9693",
"created_at": "2022-09-04T14:41:28.295587Z",
"structure_string": "K4 Sn2 Se6\n1.0\n7.006422 0.000000 0.000000\n2.986664 7.189406 0.000000\n2.301151 1.293766 8.479565\nK Sn Se\n4 2 6\ndirect\n0.386067 0.793380 0.898122 K\n0.613933 0.206620 0.101878 K\n0.144869 0.469528 0.684389 K\n0.855131 0.530472 0.315611 K\n0.850111 0.062915 0.687206 Sn\n0.149889 0.937085 0.312794 Sn\n0.652209 0.402165 0.714715 Se\n0.766618 0.956169 0.456227 Se\n0.861261 0.810124 0.922474 Se\n0.347791 0.597835 0.285285 Se\n0.138739 0.189876 0.077526 Se\n0.233382 0.043831 0.543773 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Sn",
"Se"
],
"chemical_system": "K-Se-Sn",
"density": 3.3728136779646554,
"density_atomic": 0.028094310058875544,
"volume": 427.1327530326364,
"volume_molar": 21.43544634974044,
"formula_full": "K4 Sn2 Se6",
"formula_reduced": "K2SnSe3",
"formula_anonymous": "AB2C3",
"energy": -46.95041988,
"energy_per_atom": -3.9125349899999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.11841988,
"band_gap": 1.646,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008194,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.293000Z",
"spacegroup": 2
},
{
"id": "mp-1111723",
"created_at": "2022-09-04T14:39:16.526295Z",
"structure_string": "Rb2 Tl1 Ag1 Br6\n1.0\n0.000000 5.624950 5.624950\n5.624950 0.000000 5.624950\n5.624950 5.624950 0.000000\nRb Tl Ag Br\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 Tl\n0.500000 0.500000 0.500000 Ag\n0.748351 0.251649 0.251649 Br\n0.251649 0.251649 0.748351 Br\n0.251649 0.748351 0.748351 Br\n0.251649 0.748351 0.251649 Br\n0.748351 0.251649 0.748351 Br\n0.748351 0.748351 0.251649 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Tl",
"density": 4.490699223048228,
"density_atomic": 0.02809402763105969,
"volume": 355.94753914687476,
"volume_molar": 21.4356618391809,
"formula_full": "Rb2 Tl1 Ag1 Br6",
"formula_reduced": "Rb2TlAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.12652254,
"energy_per_atom": -3.012652254,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.92252254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022918,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.703000Z",
"spacegroup": 225
},
{
"id": "mp-684663",
"created_at": "2022-09-04T14:45:16.322623Z",
"structure_string": "I1\n1.0\n-2.072254 2.072254 2.072254\n2.072254 -2.072254 2.072254\n2.072254 2.072254 -2.072254\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.920209370234598,
"density_atomic": 0.02809383638617646,
"volume": 35.59499622102337,
"volume_molar": 21.435807759467085,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.07834603,
"energy_per_atom": -1.07834603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.07834603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007851,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.599000Z",
"spacegroup": 229
},
{
"id": "mp-974788",
"created_at": "2022-09-04T14:41:07.926935Z",
"structure_string": "Nd3\n1.0\n9.013033 -1.855996 0.000000\n9.013033 1.855996 0.000000\n8.630839 0.000000 3.191879\nNd\n3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.777290 0.777290 0.777290 Nd\n0.222710 0.222710 0.222710 Nd\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.728800860293036,
"density_atomic": 0.028092917417047204,
"volume": 106.78848178934791,
"volume_molar": 21.436508962738323,
"formula_full": "Nd3",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -14.29629073,
"energy_per_atom": -4.765430243333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.29629073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0462911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.722000Z",
"spacegroup": 166
},
{
"id": "mp-27436",
"created_at": "2022-09-04T14:48:07.537339Z",
"structure_string": "Pa2 Cl10\n1.0\n6.090102 4.285063 0.000000\n-6.090102 4.285063 0.000000\n0.000000 2.205515 8.184980\nPa Cl\n2 10\ndirect\n0.068638 0.931362 0.750000 Pa\n0.931362 0.068638 0.250000 Pa\n0.116705 0.873762 0.436462 Cl\n0.126238 0.883295 0.063538 Cl\n0.725497 0.274503 0.250000 Cl\n0.274503 0.725497 0.750000 Cl\n0.238220 0.363376 0.169249 Cl\n0.636624 0.761780 0.330751 Cl\n0.761780 0.636624 0.830751 Cl\n0.363376 0.238220 0.669249 Cl\n0.873762 0.116705 0.936462 Cl\n0.883295 0.126238 0.563538 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pa",
"Cl"
],
"chemical_system": "Cl-Pa",
"density": 3.1741687597081434,
"density_atomic": 0.02809000716368217,
"volume": 427.1981822601637,
"volume_molar": 21.438729883223676,
"formula_full": "Pa2 Cl10",
"formula_reduced": "PaCl5",
"formula_anonymous": "AB5",
"energy": -65.6618361,
"energy_per_atom": -5.471819675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.5218361,
"band_gap": 2.4189,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001396,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.765000Z",
"spacegroup": 15
},
{
"id": "mp-1217576",
"created_at": "2022-09-04T14:42:40.916140Z",
"structure_string": "Tb1 Bi1 Te3\n1.0\n10.620231 -2.207655 0.000000\n10.620231 2.207655 0.000000\n10.161321 0.000000 3.796132\nTb Bi Te\n1 1 3\ndirect\n0.601441 0.601441 0.601441 Tb\n0.399340 0.399340 0.399340 Bi\n0.996333 0.996333 0.996333 Te\n0.786340 0.786340 0.786340 Te\n0.216546 0.216546 0.216546 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Te"
],
"chemical_system": "Bi-Tb-Te",
"density": 7.002971684245286,
"density_atomic": 0.02808882257488599,
"volume": 178.0067493633736,
"volume_molar": 21.43963401792552,
"formula_full": "Tb1 Bi1 Te3",
"formula_reduced": "TbBiTe3",
"formula_anonymous": "ABC3",
"energy": -23.21845391,
"energy_per_atom": -4.643690782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.95245391,
"band_gap": 1.0380000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0030943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.300000Z",
"spacegroup": 160
},
{
"id": "mp-20430",
"created_at": "2022-09-04T14:45:17.422232Z",
"structure_string": "Er3 Pb1 C1\n1.0\n5.625335 0.000000 0.000000\n0.000000 5.625335 0.000000\n0.000000 0.000000 5.625335\nEr Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Pb",
"C"
],
"chemical_system": "C-Er-Pb",
"density": 6.725611565425041,
"density_atomic": 0.02808825972902892,
"volume": 178.01031634695946,
"volume_molar": 21.440063635470377,
"formula_full": "Er3 Pb1 C1",
"formula_reduced": "Er3PbC",
"formula_anonymous": "ABC3",
"energy": -18.36939528,
"energy_per_atom": -3.6738790559999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.36939528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0118662,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.200000Z",
"spacegroup": 221
},
{
"id": "mp-1232236",
"created_at": "2022-09-04T14:42:58.069798Z",
"structure_string": "Pm2 Se2\n1.0\n2.341783 -4.056087 0.000000\n2.341783 4.056087 0.000000\n0.000000 0.000000 7.496437\nPm Se\n2 2\ndirect\n0.666667 0.333333 0.498607 Pm\n0.333333 0.666667 0.998607 Pm\n0.666667 0.333333 0.876393 Se\n0.333333 0.666667 0.376393 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Se"
],
"chemical_system": "Pm-Se",
"density": 5.222888447326839,
"density_atomic": 0.028088024124352164,
"volume": 142.4094476098097,
"volume_molar": 21.44024347650299,
"formula_full": "Pm2 Se2",
"formula_reduced": "PmSe",
"formula_anonymous": "AB",
"energy": -22.5944514,
"energy_per_atom": -5.64861285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.6504514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2003242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.502000Z",
"spacegroup": 186
},
{
"id": "mp-9731",
"created_at": "2022-09-04T14:48:13.086687Z",
"structure_string": "Rb2 Au2 Se2\n1.0\n3.476452 -4.227514 0.000000\n3.476452 4.227514 0.000000\n0.000000 0.000000 7.268126\nRb Au Se\n2 2 2\ndirect\n0.636052 0.363948 0.250000 Rb\n0.363948 0.636052 0.750000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.196052 0.803948 0.250000 Se\n0.803948 0.196052 0.750000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Se"
],
"chemical_system": "Au-Rb-Se",
"density": 5.618064738215369,
"density_atomic": 0.028085199631888054,
"volume": 213.6356543176419,
"volume_molar": 21.442399694259024,
"formula_full": "Rb2 Au2 Se2",
"formula_reduced": "RbAuSe",
"formula_anonymous": "ABC",
"energy": -20.94194951,
"energy_per_atom": -3.4903249183333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.99794951,
"band_gap": 1.7116000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004517,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.866000Z",
"spacegroup": 63
},
{
"id": "mp-569580",
"created_at": "2022-09-04T14:41:46.211474Z",
"structure_string": "Na4 La16 I28 N8\n1.0\n11.336306 0.000000 0.000000\n0.000000 12.158699 0.000000\n0.000000 0.000000 14.466365\nNa La I N\n4 16 28 8\ndirect\n0.547768 0.752038 0.592331 Na\n0.952232 0.752038 0.092331 Na\n0.047768 0.252038 0.907669 Na\n0.452232 0.252038 0.407669 Na\n0.086234 0.817033 0.602655 La\n0.623548 0.075479 0.083859 La\n0.106889 0.053226 0.412080 La\n0.393111 0.053226 0.912080 La\n0.621632 0.810646 0.913585 La\n0.378368 0.310646 0.086415 La\n0.123548 0.575479 0.416141 La\n0.913766 0.317033 0.397345 La\n0.606889 0.553226 0.087920 La\n0.413766 0.817033 0.102655 La\n0.121632 0.310646 0.586415 La\n0.893111 0.553226 0.587920 La\n0.586234 0.317033 0.897345 La\n0.376452 0.575479 0.916141 La\n0.878368 0.810646 0.413585 La\n0.876452 0.075479 0.583859 La\n0.574170 0.536511 0.752134 I\n0.689179 0.287394 0.527828 I\n0.651894 0.956543 0.481554 I\n0.925830 0.536511 0.252134 I\n0.820325 0.610469 0.949474 I\n0.402093 0.825698 0.765037 I\n0.628099 0.083988 0.775473 I\n0.074170 0.036511 0.747866 I\n0.814440 0.796542 0.700212 I\n0.848106 0.956543 0.981554 I\n0.151894 0.456543 0.018446 I\n0.597907 0.325698 0.234963 I\n0.097907 0.825698 0.265037 I\n0.685560 0.796542 0.200212 I\n0.179675 0.110469 0.050526 I\n0.310821 0.787394 0.472172 I\n0.314440 0.296542 0.799788 I\n0.902093 0.325698 0.734963 I\n0.189179 0.787394 0.972172 I\n0.810821 0.287394 0.027828 I\n0.425830 0.036511 0.247866 I\n0.371901 0.583988 0.224527 I\n0.320325 0.110469 0.550526 I\n0.871901 0.083988 0.275473 I\n0.128099 0.583988 0.724527 I\n0.679675 0.610469 0.449474 I\n0.185560 0.296542 0.299788 I\n0.348106 0.456543 0.518446 I\n0.995455 0.688573 0.503248 N\n0.012335 0.439502 0.496931 N\n0.987665 0.939502 0.503069 N\n0.512335 0.939502 0.003069 N\n0.487665 0.439502 0.996931 N\n0.004545 0.188573 0.496752 N\n0.504545 0.688573 0.003248 N\n0.495455 0.188573 0.996752 N\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"La",
"I",
"N"
],
"chemical_system": "I-La-N-Na",
"density": 4.979887271570871,
"density_atomic": 0.02808470981861265,
"volume": 1993.9675489503181,
"volume_molar": 21.442773661876796,
"formula_full": "Na4 La16 I28 N8",
"formula_reduced": "NaLa4I7N2",
"formula_anonymous": "AB2C4D7",
"energy": -296.36367037,
"energy_per_atom": -5.292208399464286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.86367037,
"band_gap": 2.7284,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0225514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.466000Z",
"spacegroup": 33
}
]
}