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_uncorrected&page=12152",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12150",
"results": [
{
"id": "mp-721759",
"created_at": "2022-09-04T14:39:45.126233Z",
"structure_string": "N1\n1.0\n0.000000 1.537618 1.537618\n1.537618 0.000000 1.537618\n1.537618 1.537618 0.000000\nN\n1\ndirect\n0.000000 0.000000 0.000000 N\n",
"nsites": 1,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.1989655675646826,
"density_atomic": 0.13753861324170039,
"volume": 7.270685492827185,
"volume_molar": 4.378509145949527,
"formula_full": "N1",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -3.82991611,
"energy_per_atom": -3.82991611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82991611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.212000Z",
"spacegroup": 225
},
{
"id": "mp-1097498",
"created_at": "2022-09-04T14:44:19.086722Z",
"structure_string": "Mg2 Cd1 Sn1\n1.0\n-5.594506 5.934926 8.393771\n5.594506 -5.934926 8.393771\n5.594506 5.934926 -8.393771\nMg Cd Sn\n2 1 1\ndirect\n0.000000 0.252302 0.252302 Mg\n0.000000 0.747698 0.747698 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Sn"
],
"chemical_system": "Cd-Mg-Sn",
"density": 0.4166731685643693,
"density_atomic": 0.0035881106818722087,
"volume": 1114.7928128886133,
"volume_molar": 167.8359809362893,
"formula_full": "Mg2 Cd1 Sn1",
"formula_reduced": "Mg2CdSn",
"formula_anonymous": "ABC2",
"energy": -3.82948628,
"energy_per_atom": -0.95737157,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82948628,
"band_gap": 0.4556,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9999902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.783000Z",
"spacegroup": 71
},
{
"id": "mp-10631",
"created_at": "2022-09-04T14:40:59.500139Z",
"structure_string": "Sb1\n1.0\n-1.572519 1.572519 2.849152\n1.572519 -1.572519 2.849152\n1.572519 1.572519 -2.849152\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.17441217194662,
"density_atomic": 0.03548400130145425,
"volume": 28.18171466922522,
"volume_molar": 16.971425259623114,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8270613,
"energy_per_atom": -3.8270613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8270613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.956000Z",
"spacegroup": 139
},
{
"id": "mp-1096075",
"created_at": "2022-09-04T14:46:07.890758Z",
"structure_string": "Li1 Sn1 Hg2\n1.0\n-5.560489 5.773402 8.151612\n5.560489 -5.773402 8.151612\n5.560489 5.773402 -8.151612\nLi Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sn\n0.000000 0.239259 0.239259 Hg\n0.000000 0.760741 0.760740 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Hg"
],
"chemical_system": "Hg-Li-Sn",
"density": 0.8357418379620045,
"density_atomic": 0.0038213051160372754,
"volume": 1046.7627887688886,
"volume_molar": 157.59382140740988,
"formula_full": "Li1 Sn1 Hg2",
"formula_reduced": "LiSnHg2",
"formula_anonymous": "ABC2",
"energy": -3.82458649,
"energy_per_atom": -0.9561466225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82458649,
"band_gap": 0.1794000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.441000Z",
"spacegroup": 71
},
{
"id": "mp-801341",
"created_at": "2022-09-04T14:39:18.911503Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n5.174635 0.000000 0.000000\n-2.579662 -4.527808 0.000000\n0.102098 2.884580 -9.421417\nLi Mn O F\n4 4 4 8\ndirect\n0.679095 0.783255 0.048772 Li\n0.320905 0.216745 0.951228 Li\n0.794147 0.220253 0.451155 Li\n0.205853 0.779747 0.548845 Li\n0.890799 0.796338 0.763796 Mn\n0.109201 0.203662 0.236204 Mn\n0.413432 0.814486 0.263687 Mn\n0.586568 0.185514 0.736313 Mn\n0.625992 0.328222 0.851770 O\n0.415794 0.001242 0.355623 O\n0.584206 0.998758 0.644377 O\n0.374008 0.671778 0.148230 O\n0.131925 0.318611 0.384286 F\n0.931358 0.989935 0.880751 F\n0.068642 0.010065 0.119249 F\n0.718307 0.311824 0.129656 F\n0.181306 0.277963 0.635564 F\n0.868075 0.681389 0.615714 F\n0.281693 0.688176 0.870344 F\n0.818694 0.722037 0.364436 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.48671000215789,
"density_atomic": 0.0906037232966512,
"volume": 220.7414802868175,
"volume_molar": 6.646681329289901,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy": -16.93616362,
"energy_per_atom": -0.8468081809999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82016362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.6623401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.294000Z",
"spacegroup": 2
},
{
"id": "mp-1096230",
"created_at": "2022-09-04T14:48:02.805375Z",
"structure_string": "Mg2 Hg1 Bi1\n1.0\n-5.494396 6.098573 8.618872\n5.494396 -6.098573 8.618872\n5.494396 6.098573 -8.618872\nMg Hg Bi\n2 1 1\ndirect\n0.000000 0.250068 0.250068 Mg\n0.000000 0.749932 0.749932 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Mg",
"density": 0.6586079946456661,
"density_atomic": 0.0034625925079188654,
"volume": 1155.2037933577506,
"volume_molar": 173.91999625215814,
"formula_full": "Mg2 Hg1 Bi1",
"formula_reduced": "Mg2HgBi",
"formula_anonymous": "ABC2",
"energy": -3.81743606,
"energy_per_atom": -0.954359015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81743606,
"band_gap": 0.0981,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.999982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.793000Z",
"spacegroup": 71
},
{
"id": "mp-1093636",
"created_at": "2022-09-04T14:47:38.618887Z",
"structure_string": "Na1 Cd1 In2\n1.0\n-6.028754 6.057626 9.055461\n6.028754 -6.057626 9.055461\n6.028754 6.057626 -9.055461\nNa Cd In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n0.738109 0.000000 0.738109 In\n0.261891 0.000000 0.261891 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"In"
],
"chemical_system": "Cd-In-Na",
"density": 0.4582317046392843,
"density_atomic": 0.003023844236216611,
"volume": 1322.8194601070923,
"volume_molar": 199.15512472080286,
"formula_full": "Na1 Cd1 In2",
"formula_reduced": "NaCdIn2",
"formula_anonymous": "ABC2",
"energy": -3.81689467,
"energy_per_atom": -0.9542236675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81689467,
"band_gap": 0.2033,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.378000Z",
"spacegroup": 71
},
{
"id": "mp-10173",
"created_at": "2022-09-04T14:48:14.019809Z",
"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5708714829216157,
"density_atomic": 0.049529872168447765,
"volume": 40.379672154172624,
"volume_molar": 12.158603477753998,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -3.81279734,
"energy_per_atom": -1.90639867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81279734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
},
{
"id": "mp-1185559",
"created_at": "2022-09-04T14:40:58.597494Z",
"structure_string": "Cs1 Rb3\n1.0\n0.000000 5.790249 5.790249\n5.790249 0.000000 5.790249\n5.790249 5.790249 0.000000\nCs Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Rb"
],
"chemical_system": "Cs-Rb",
"density": 1.665028454094132,
"density_atomic": 0.010302396849687652,
"volume": 388.2591651593456,
"volume_molar": 58.45378359874168,
"formula_full": "Cs1 Rb3",
"formula_reduced": "CsRb3",
"formula_anonymous": "AB3",
"energy": -3.81101024,
"energy_per_atom": -0.95275256,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81101024,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027036,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.988000Z",
"spacegroup": 225
},
{
"id": "mp-56",
"created_at": "2022-09-04T14:47:09.513897Z",
"structure_string": "Ba2\n1.0\n2.239279 -3.878544 0.000000\n2.239279 3.878544 0.000000\n0.000000 0.000000 7.352020\nBa\n2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.571259596639392,
"density_atomic": 0.01566088823676005,
"volume": 127.70667728191151,
"volume_molar": 38.45337932917826,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.80600479,
"energy_per_atom": -1.903002395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.80600479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.281000Z",
"spacegroup": 194
},
{
"id": "mp-10630",
"created_at": "2022-09-04T14:40:20.720922Z",
"structure_string": "Sb1\n1.0\n0.000000 2.395458 2.395458\n2.395458 0.000000 2.395458\n2.395458 2.395458 0.000000\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.3545830945847275,
"density_atomic": 0.03637511057983855,
"volume": 27.491325361200825,
"volume_molar": 16.55566310041092,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8006478,
"energy_per_atom": -3.8006478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8006478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.829000Z",
"spacegroup": 225
},
{
"id": "mp-1058581",
"created_at": "2022-09-04T14:47:06.097477Z",
"structure_string": "Ba2\n1.0\n2.178574 -3.956087 0.000000\n2.178574 3.956087 0.000000\n0.000000 0.000000 7.368098\nBa\n2\ndirect\n0.649218 0.350782 0.750000 Ba\n0.350782 0.649218 0.250000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.5909675987597325,
"density_atomic": 0.01574731287496527,
"volume": 127.00579558430923,
"volume_molar": 38.242338917224835,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.80062987,
"energy_per_atom": -1.900314935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.80062987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003628,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.918000Z",
"spacegroup": 63
}
]
}