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=11497",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=11495",
"results": [
{
"id": "mp-613384",
"created_at": "2022-09-04T14:41:56.732972Z",
"structure_string": "Cs1 I1 O3\n1.0\n4.590332 0.000000 0.000000\n0.000000 4.590332 0.000000\n0.000000 0.000000 4.590332\nCs I O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"I",
"O"
],
"chemical_system": "Cs-I-O",
"density": 5.284414556998509,
"density_atomic": 0.05169371118442144,
"volume": 96.72356434542107,
"volume_molar": 11.64965838594086,
"formula_full": "Cs1 I1 O3",
"formula_reduced": "CsIO3",
"formula_anonymous": "ABC3",
"energy": -14.30740106,
"energy_per_atom": -2.861480212,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.24640106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0094893,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.711000Z",
"spacegroup": 221
},
{
"id": "mp-27899",
"created_at": "2022-09-04T14:39:12.529563Z",
"structure_string": "Cd12 As4 Cl12\n1.0\n7.224617 0.000000 0.000000\n0.000000 8.278080 0.000000\n0.000000 0.000000 13.468177\nCd As Cl\n12 4 12\ndirect\n0.505021 0.750000 0.761275 Cd\n0.005021 0.250000 0.738725 Cd\n0.494979 0.250000 0.238725 Cd\n0.994979 0.750000 0.261275 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.997924 0.750000 0.588411 Cd\n0.497924 0.250000 0.911589 Cd\n0.002076 0.250000 0.411589 Cd\n0.502076 0.750000 0.088411 Cd\n0.858055 0.750000 0.083905 As\n0.358055 0.250000 0.416095 As\n0.141945 0.250000 0.916095 As\n0.641945 0.750000 0.583905 As\n0.806445 0.021599 0.332704 Cl\n0.306445 0.978401 0.167296 Cl\n0.193555 0.521599 0.667296 Cl\n0.693555 0.478401 0.832704 Cl\n0.193555 0.978401 0.667296 Cl\n0.693555 0.021599 0.832704 Cl\n0.806445 0.478401 0.332704 Cl\n0.306445 0.521599 0.167296 Cl\n0.309566 0.750000 0.918374 Cl\n0.809566 0.250000 0.581626 Cl\n0.690434 0.250000 0.081626 Cl\n0.190434 0.750000 0.418374 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cd",
"As",
"Cl"
],
"chemical_system": "As-Cd-Cl",
"density": 4.275786163529481,
"density_atomic": 0.03476200103860987,
"volume": 805.4772212019851,
"volume_molar": 17.323918589471468,
"formula_full": "Cd12 As4 Cl12",
"formula_reduced": "Cd3AsCl3",
"formula_anonymous": "AB3C3",
"energy": -80.1193979,
"energy_per_atom": -2.861407067857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.7513979,
"band_gap": 1.4485,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007685,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.327000Z",
"spacegroup": 62
},
{
"id": "mp-1074863",
"created_at": "2022-09-04T14:40:37.107216Z",
"structure_string": "Mg14 Si8\n1.0\n4.886214 0.000000 0.000000\n0.269762 6.035400 0.000000\n1.050916 2.730614 14.732315\nMg Si\n14 8\ndirect\n0.509238 0.950247 0.884412 Mg\n0.151250 0.636229 0.643734 Mg\n0.738117 0.514263 0.509384 Mg\n0.629008 0.268702 0.698966 Mg\n0.486182 0.469296 0.864848 Mg\n0.751524 0.653331 0.300549 Mg\n0.793625 0.142801 0.332858 Mg\n0.710903 0.997156 0.542329 Mg\n0.975734 0.633789 0.973835 Mg\n0.968325 0.129945 0.979600 Mg\n0.433780 0.297410 0.074321 Mg\n0.471811 0.787428 0.100751 Mg\n0.261756 0.309732 0.430862 Mg\n0.249134 0.808182 0.431327 Mg\n0.903869 0.024998 0.161710 Si\n0.091980 0.229921 0.792423 Si\n0.613431 0.793927 0.718475 Si\n0.317598 0.414696 0.246099 Si\n0.897360 0.438581 0.150753 Si\n0.055120 0.827699 0.791578 Si\n0.160791 0.161555 0.620813 Si\n0.329424 0.006520 0.253996 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.159298320327243,
"density_atomic": 0.05063760332901296,
"volume": 434.4597404631715,
"volume_molar": 11.892625961919485,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -62.94955107999999,
"energy_per_atom": -2.8613432309090907,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.51755108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.177000Z",
"spacegroup": 1
},
{
"id": "mp-1186093",
"created_at": "2022-09-04T14:47:00.696279Z",
"structure_string": "Na3 W1\n1.0\n-2.444070 2.444070 4.813188\n2.444070 -2.444070 4.813188\n2.444070 2.444070 -4.813188\nNa W\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"W"
],
"chemical_system": "Na-W",
"density": 3.6502453797171963,
"density_atomic": 0.03478082619759482,
"volume": 115.0058936862348,
"volume_molar": 17.314542000202533,
"formula_full": "Na3 W1",
"formula_reduced": "Na3W",
"formula_anonymous": "AB3",
"energy": -11.44400763,
"energy_per_atom": -2.8610019075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.44400763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6478344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.933000Z",
"spacegroup": 139
},
{
"id": "mp-1222152",
"created_at": "2022-09-04T14:48:17.100957Z",
"structure_string": "Mg2 Zn1 Sb2\n1.0\n2.244953 -3.888372 0.000000\n2.244953 3.888372 0.000000\n0.000000 0.000000 7.247356\nMg Zn Sb\n2 1 2\ndirect\n0.000000 0.000000 0.373304 Mg\n0.333333 0.666667 0.006776 Mg\n0.666667 0.333333 0.626807 Zn\n0.666667 0.333333 0.225138 Sb\n0.000000 0.000000 0.767975 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Sb"
],
"chemical_system": "Mg-Sb-Zn",
"density": 4.692322656554511,
"density_atomic": 0.03951712615808863,
"volume": 126.5274195293821,
"volume_molar": 15.23931860811024,
"formula_full": "Mg2 Zn1 Sb2",
"formula_reduced": "Mg2ZnSb2",
"formula_anonymous": "AB2C2",
"energy": -14.30440933,
"energy_per_atom": -2.860881866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.920409330000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.797000Z",
"spacegroup": 156
},
{
"id": "mp-607853",
"created_at": "2022-09-04T14:39:45.793199Z",
"structure_string": "Na32 In24 Au44\n1.0\n5.622136 0.000000 0.000000\n0.000000 15.291929 0.000000\n0.000000 0.000000 26.169399\nNa In Au\n32 24 44\ndirect\n0.774488 0.137545 0.360160 Na\n0.774488 0.862455 0.139840 Na\n0.246590 0.063812 0.301579 Na\n0.229845 0.940960 0.516281 Na\n0.225512 0.362455 0.860160 Na\n0.773238 0.750000 0.929288 Na\n0.225512 0.862455 0.639840 Na\n0.773238 0.250000 0.570712 Na\n0.234092 0.250000 0.642014 Na\n0.234092 0.750000 0.857986 Na\n0.753410 0.563812 0.698421 Na\n0.229845 0.059040 0.983719 Na\n0.225512 0.137545 0.860160 Na\n0.246590 0.936188 0.198421 Na\n0.770155 0.059040 0.483719 Na\n0.765908 0.750000 0.357986 Na\n0.225512 0.637545 0.639840 Na\n0.774488 0.362455 0.360160 Na\n0.753410 0.436188 0.801579 Na\n0.229845 0.559040 0.516281 Na\n0.753410 0.936188 0.698421 Na\n0.765908 0.250000 0.142014 Na\n0.774488 0.637545 0.139840 Na\n0.226762 0.250000 0.070712 Na\n0.246590 0.436188 0.301579 Na\n0.770155 0.440960 0.483719 Na\n0.770155 0.940960 0.016281 Na\n0.226762 0.750000 0.429288 Na\n0.246590 0.563812 0.198421 Na\n0.753410 0.063812 0.801579 Na\n0.770155 0.559040 0.016281 Na\n0.229845 0.440960 0.983719 Na\n0.496485 0.750000 0.236530 In\n0.503515 0.250000 0.763470 In\n0.468937 0.939272 0.395301 In\n0.500882 0.250000 0.454475 In\n0.228793 0.418875 0.716375 In\n0.228793 0.581125 0.783625 In\n0.228793 0.081125 0.716375 In\n0.771207 0.581125 0.283625 In\n0.496485 0.250000 0.263470 In\n0.228793 0.918875 0.783625 In\n0.771207 0.418875 0.216375 In\n0.531063 0.060728 0.604699 In\n0.500882 0.750000 0.045525 In\n0.468937 0.439272 0.104699 In\n0.771207 0.081125 0.216375 In\n0.531063 0.439272 0.604699 In\n0.503515 0.750000 0.736530 In\n0.468937 0.560728 0.395301 In\n0.771207 0.918875 0.283625 In\n0.531063 0.939272 0.895301 In\n0.499118 0.250000 0.954475 In\n0.531063 0.560728 0.895301 In\n0.468937 0.060728 0.104699 In\n0.499118 0.750000 0.545525 In\n0.265242 0.652291 0.967509 Au\n0.036347 0.444494 0.614118 Au\n0.963653 0.555506 0.385882 Au\n0.734758 0.152291 0.032491 Au\n0.748324 0.594013 0.576591 Au\n0.729787 0.643101 0.810258 Au\n0.251676 0.905987 0.076591 Au\n0.018163 0.750000 0.739673 Au\n0.729787 0.143101 0.689742 Au\n0.978203 0.750000 0.045595 Au\n0.270213 0.356899 0.189742 Au\n0.978203 0.250000 0.454405 Au\n0.036347 0.055506 0.614118 Au\n0.748324 0.094013 0.923409 Au\n0.737645 0.750000 0.643681 Au\n0.265242 0.847709 0.967509 Au\n0.251676 0.094013 0.423409 Au\n0.729787 0.856899 0.810258 Au\n0.251676 0.594013 0.076591 Au\n0.036347 0.555506 0.885882 Au\n0.734758 0.652291 0.467509 Au\n0.021797 0.250000 0.954405 Au\n0.748324 0.905987 0.576591 Au\n0.036347 0.944494 0.885882 Au\n0.963653 0.444494 0.114118 Au\n0.270213 0.643101 0.310258 Au\n0.021797 0.750000 0.545595 Au\n0.734758 0.347709 0.032491 Au\n0.265242 0.152291 0.532491 Au\n0.981837 0.250000 0.260327 Au\n0.262355 0.750000 0.143681 Au\n0.262355 0.250000 0.356319 Au\n0.963653 0.055506 0.114118 Au\n0.981837 0.750000 0.239673 Au\n0.748324 0.405987 0.923409 Au\n0.251676 0.405987 0.423409 Au\n0.265242 0.347709 0.532491 Au\n0.734758 0.847709 0.467509 Au\n0.737645 0.250000 0.856319 Au\n0.270213 0.143101 0.189742 Au\n0.963653 0.944494 0.385882 Au\n0.729787 0.356899 0.689742 Au\n0.270213 0.856899 0.310258 Au\n0.018163 0.250000 0.760327 Au\n",
"nsites": 100,
"nelements": 3,
"elements": [
"Na",
"In",
"Au"
],
"chemical_system": "Au-In-Na",
"density": 8.973211940871758,
"density_atomic": 0.044447018225784465,
"volume": 2249.8697098647735,
"volume_molar": 13.549032084466027,
"formula_full": "Na32 In24 Au44",
"formula_reduced": "Na8In6Au11",
"formula_anonymous": "A6B8C11",
"energy": -286.04051605,
"energy_per_atom": -2.8604051605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.04051605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1566075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.161000Z",
"spacegroup": 57
},
{
"id": "mp-1180943",
"created_at": "2022-09-04T14:39:26.185789Z",
"structure_string": "K8 Hg4 Cl16 O4\n1.0\n8.018595 0.000000 0.000000\n0.000000 8.434821 0.000000\n0.000000 0.000000 12.457727\nK Hg Cl O\n8 4 16 4\ndirect\n0.590716 0.000000 0.165548 K\n0.409284 0.000000 0.834452 K\n0.090716 0.000000 0.334452 K\n0.909284 0.000000 0.665548 K\n0.593261 0.500000 0.172618 K\n0.406739 0.500000 0.827382 K\n0.093261 0.500000 0.327382 K\n0.906739 0.500000 0.672618 K\n0.500000 0.245367 0.500000 Hg\n0.000000 0.754633 0.000000 Hg\n0.500000 0.754633 0.500000 Hg\n0.000000 0.245367 0.000000 Hg\n0.733544 0.000000 0.440009 Cl\n0.266456 0.000000 0.559991 Cl\n0.233544 0.000000 0.059991 Cl\n0.766456 0.000000 0.940009 Cl\n0.747413 0.500000 0.445303 Cl\n0.252587 0.500000 0.554697 Cl\n0.247413 0.500000 0.054697 Cl\n0.752587 0.500000 0.945303 Cl\n0.394116 0.250564 0.315177 Cl\n0.605884 0.250564 0.684823 Cl\n0.894116 0.749436 0.184823 Cl\n0.105884 0.749436 0.815177 Cl\n0.605884 0.749436 0.684823 Cl\n0.394116 0.749436 0.315177 Cl\n0.105884 0.250564 0.815177 Cl\n0.894116 0.250564 0.184823 Cl\n0.500000 0.268035 0.000000 O\n0.000000 0.731965 0.500000 O\n0.500000 0.731965 0.000000 O\n0.000000 0.268035 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Hg",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-K-O",
"density": 3.4417385143793906,
"density_atomic": 0.03797843105074903,
"volume": 842.5835168714501,
"volume_molar": 15.856739189549087,
"formula_full": "K8 Hg4 Cl16 O4",
"formula_reduced": "K2HgCl4O",
"formula_anonymous": "ABC2D4",
"energy": -91.53204101,
"energy_per_atom": -2.8603762815625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.78404101,
"band_gap": 0.8828999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0065301,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.393000Z",
"spacegroup": 55
},
{
"id": "mp-1074730",
"created_at": "2022-09-04T14:44:07.826985Z",
"structure_string": "Mg8 Si4\n1.0\n7.263399 0.000000 0.000000\n0.000000 4.954729 0.000000\n0.000000 0.207773 6.785629\nMg Si\n8 4\ndirect\n0.599687 0.179786 0.692587 Mg\n0.286256 0.341890 0.001238 Mg\n0.400313 0.820214 0.307413 Mg\n0.786256 0.658110 0.498762 Mg\n0.713744 0.658110 0.998762 Mg\n0.099687 0.820214 0.807413 Mg\n0.213744 0.341890 0.501238 Mg\n0.900313 0.179786 0.192587 Mg\n0.947870 0.301169 0.779502 Si\n0.552130 0.301169 0.279502 Si\n0.052130 0.698831 0.220498 Si\n0.447870 0.698831 0.720498 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0860708438163353,
"density_atomic": 0.049139567228071994,
"volume": 244.20239487059933,
"volume_molar": 12.255176631998758,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -34.32344358,
"energy_per_atom": -2.8602869650000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.60744358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.849000Z",
"spacegroup": 14
},
{
"id": "mp-1097606",
"created_at": "2022-09-04T14:45:09.060617Z",
"structure_string": "Zr2 In1 Ag1\n1.0\n-5.801993 6.015496 8.549645\n5.801993 -6.015496 8.549645\n5.801993 6.015496 -8.549645\nZr In Ag\n2 1 1\ndirect\n0.000000 0.247923 0.247923 Zr\n0.000000 0.752077 0.752077 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ag"
],
"chemical_system": "Ag-In-Zr",
"density": 0.5636263485048583,
"density_atomic": 0.0033512225903555392,
"volume": 1193.594245727387,
"volume_molar": 179.69981395240885,
"formula_full": "Zr2 In1 Ag1",
"formula_reduced": "Zr2InAg",
"formula_anonymous": "ABC2",
"energy": -11.44099455,
"energy_per_atom": -2.8602486375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.44099455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3102691,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.820000Z",
"spacegroup": 71
},
{
"id": "mp-567528",
"created_at": "2022-09-04T14:40:53.410835Z",
"structure_string": "Li17 Ag3 Sn6\n1.0\n4.036411 -6.991269 0.000000\n4.036411 6.991269 0.000000\n0.000000 0.000000 8.528988\nLi Ag Sn\n17 3 6\ndirect\n0.000000 0.298819 0.330039 Li\n0.298819 0.000000 0.330039 Li\n0.648377 0.000000 0.832291 Li\n0.000000 0.654763 0.154749 Li\n0.345237 0.345237 0.154749 Li\n0.701181 0.701181 0.330039 Li\n0.333333 0.666667 0.667322 Li\n0.000000 0.309997 0.649828 Li\n0.333333 0.666667 0.339287 Li\n0.309997 0.000000 0.649828 Li\n0.000000 0.648377 0.832291 Li\n0.666667 0.333333 0.339287 Li\n0.351623 0.351623 0.832291 Li\n0.654763 0.000000 0.154749 Li\n0.690003 0.690003 0.649828 Li\n0.666667 0.333333 0.667322 Li\n0.000000 0.000000 0.857275 Li\n0.000000 0.000000 0.505181 Ag\n0.333333 0.666667 0.001049 Ag\n0.666667 0.333333 0.001049 Ag\n0.000000 0.645500 0.495851 Sn\n0.645500 0.000000 0.495851 Sn\n0.315345 0.000000 0.990700 Sn\n0.354500 0.354500 0.495851 Sn\n0.000000 0.315345 0.990700 Sn\n0.684655 0.684655 0.990700 Sn\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Sn"
],
"chemical_system": "Ag-Li-Sn",
"density": 3.98037440785932,
"density_atomic": 0.0540125218845802,
"volume": 481.36985818880316,
"volume_molar": 11.149527090900815,
"formula_full": "Li17 Ag3 Sn6",
"formula_reduced": "Li17(AgSn2)3",
"formula_anonymous": "A3B6C17",
"energy": -74.36592472,
"energy_per_atom": -2.8602278738461537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.36592472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013961,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.425000Z",
"spacegroup": 157
},
{
"id": "mp-1237095",
"created_at": "2022-09-04T14:40:24.821171Z",
"structure_string": "Cd12 Se16\n1.0\n9.843565 0.000000 0.000000\n-4.921783 11.403120 -2.495481\n0.000000 -2.763053 10.360460\nCd Se\n12 16\ndirect\n0.197064 0.443385 0.223252 Cd\n0.043162 0.391956 0.711901 Cd\n0.309314 0.707996 0.161186 Cd\n0.246796 0.791136 0.788273 Cd\n0.509689 0.066309 0.205218 Cd\n0.515896 0.112087 0.762557 Cd\n0.579655 0.443385 0.223252 Cd\n0.682128 0.391956 0.711901 Cd\n0.889954 0.066309 0.205218 Cd\n0.929525 0.112087 0.762557 Cd\n0.732015 0.707996 0.161186 Cd\n0.877673 0.791136 0.788273 Cd\n0.143733 0.203582 0.130758 Se\n0.185145 0.311138 0.827493 Se\n0.116044 0.628619 0.299106 Se\n0.060011 0.539482 0.596728 Se\n0.143021 0.952708 0.801543 Se\n0.393182 0.203582 0.130758 Se\n0.459327 0.311138 0.827493 Se\n0.481584 0.629837 0.273631 Se\n0.403361 0.827106 0.016280 Se\n0.480291 0.876934 0.643599 Se\n0.770470 0.207607 0.364433 Se\n0.816305 0.299276 0.834637 Se\n0.845908 0.628619 0.299106 Se\n0.812804 0.539482 0.596728 Se\n0.757077 0.827106 0.016280 Se\n0.729976 0.876934 0.643599 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 3.961250903768081,
"density_atomic": 0.025569342746505696,
"volume": 1095.061389633352,
"volume_molar": 23.55219224719018,
"formula_full": "Cd12 Se16",
"formula_reduced": "Cd3Se4",
"formula_anonymous": "A3B4",
"energy": -80.08445029,
"energy_per_atom": -2.8601589389285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.53245029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.399000Z",
"spacegroup": 8
},
{
"id": "mp-1074729",
"created_at": "2022-09-04T14:42:01.190390Z",
"structure_string": "Mg8 Si4\n1.0\n5.202925 0.000000 0.000000\n0.311217 5.498370 0.000000\n1.250706 1.223406 8.278819\nMg Si\n8 4\ndirect\n0.719032 0.552610 0.610663 Mg\n0.335295 0.763345 0.992044 Mg\n0.815692 0.681306 0.221049 Mg\n0.210956 0.871939 0.610806 Mg\n0.184308 0.318694 0.778951 Mg\n0.789044 0.128061 0.389194 Mg\n0.280968 0.447390 0.389337 Mg\n0.664705 0.236655 0.007956 Mg\n0.863656 0.722314 0.891193 Si\n0.136344 0.277686 0.108807 Si\n0.341741 0.958244 0.283862 Si\n0.658259 0.041756 0.716138 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.150943770187022,
"density_atomic": 0.050667716445114974,
"volume": 236.83719815947924,
"volume_molar": 11.885557871003307,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -34.31778228,
"energy_per_atom": -2.8598151900000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.60178228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.002000Z",
"spacegroup": 2
}
]
}