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=-spacegroup&page=124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=122",
"results": [
{
"id": "mp-546",
"created_at": "2022-09-04T14:41:52.572357Z",
"structure_string": "Ho2 Rh4\n1.0\n0.000000 3.772200 3.772200\n3.772200 0.000000 3.772200\n3.772200 3.772200 0.000000\nHo Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Ho\n0.750000 0.750000 0.750000 Ho\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Rh"
],
"chemical_system": "Ho-Rh",
"density": 11.469274766375888,
"density_atomic": 0.05589038773619895,
"volume": 107.35298578209603,
"volume_molar": 10.774913189767682,
"formula_full": "Ho2 Rh4",
"formula_reduced": "HoRh2",
"formula_anonymous": "AB2",
"energy": -43.13471983,
"energy_per_atom": -7.189119971666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.13471983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.260000Z",
"spacegroup": 227
},
{
"id": "mp-1209953",
"created_at": "2022-09-04T14:41:52.637074Z",
"structure_string": "Nd8 Ru2\n1.0\n-5.554483 -5.554483 0.000000\n-5.554483 0.000000 -5.554483\n0.000000 -5.554483 -5.554483\nNd Ru\n8 2\ndirect\n0.613226 0.613226 0.613226 Nd\n0.160322 0.613226 0.613226 Nd\n0.613226 0.160322 0.613226 Nd\n0.589678 0.136774 0.136774 Nd\n0.136774 0.136774 0.136774 Nd\n0.613226 0.613226 0.160322 Nd\n0.136774 0.589678 0.136774 Nd\n0.136774 0.136774 0.589678 Nd\n0.000000 0.000000 0.000000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Nd",
"Ru"
],
"chemical_system": "Nd-Ru",
"density": 6.570103421013326,
"density_atomic": 0.02917689541203663,
"volume": 342.7369450649161,
"volume_molar": 20.64010126833312,
"formula_full": "Nd8 Ru2",
"formula_reduced": "Nd4Ru",
"formula_anonymous": "AB4",
"energy": -53.97870986,
"energy_per_atom": -5.397870986,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.97870986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.470000Z",
"spacegroup": 227
},
{
"id": "mp-680636",
"created_at": "2022-09-04T14:41:53.256642Z",
"structure_string": "Er2 Al40 Cr4\n1.0\n0.000000 7.231931 7.231931\n7.231931 0.000000 7.231931\n7.231931 7.231931 0.000000\nEr Al Cr\n2 40 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.250000 0.250000 Er\n0.067797 0.799796 0.799796 Al\n0.450204 0.917390 0.182203 Al\n0.799796 0.332610 0.799796 Al\n0.450204 0.917390 0.450204 Al\n0.182203 0.450204 0.450204 Al\n0.182203 0.917390 0.450204 Al\n0.332610 0.067797 0.799796 Al\n0.799796 0.067797 0.332610 Al\n0.612072 0.887928 0.612072 Al\n0.362072 0.637928 0.637928 Al\n0.917390 0.182203 0.450204 Al\n0.917390 0.450204 0.450204 Al\n0.450204 0.450204 0.182203 Al\n0.637928 0.362072 0.362072 Al\n0.887928 0.612072 0.887928 Al\n0.362072 0.637928 0.362072 Al\n0.887928 0.612072 0.612072 Al\n0.332610 0.799796 0.067797 Al\n0.067797 0.799796 0.332610 Al\n0.637928 0.362072 0.637928 Al\n0.450204 0.450204 0.917390 Al\n0.799796 0.799796 0.332610 Al\n0.067797 0.332610 0.799796 Al\n0.637928 0.637928 0.362072 Al\n0.125000 0.125000 0.625000 Al\n0.332610 0.799796 0.799796 Al\n0.362072 0.362072 0.637928 Al\n0.612072 0.887928 0.887928 Al\n0.612072 0.612072 0.887928 Al\n0.917390 0.450204 0.182203 Al\n0.799796 0.067797 0.799796 Al\n0.887928 0.887928 0.612072 Al\n0.799796 0.332610 0.067797 Al\n0.125000 0.125000 0.125000 Al\n0.450204 0.182203 0.450204 Al\n0.450204 0.182203 0.917390 Al\n0.182203 0.450204 0.917390 Al\n0.625000 0.125000 0.125000 Al\n0.799796 0.799796 0.067797 Al\n0.125000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Cr\n0.625000 0.125000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.125000 0.625000 0.625000 Cr\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Er",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Er",
"density": 3.5599501851759943,
"density_atomic": 0.06080860135165415,
"volume": 756.4719295874528,
"volume_molar": 9.903435741227062,
"formula_full": "Er2 Al40 Cr4",
"formula_reduced": "Er(Al10Cr)2",
"formula_anonymous": "AB2C20",
"energy": -203.8773601,
"energy_per_atom": -4.432116523913043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.8773601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.644489,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.647000Z",
"spacegroup": 227
},
{
"id": "mp-16836",
"created_at": "2022-09-04T14:41:53.455563Z",
"structure_string": "Rb2 Na4 Si34\n1.0\n0.000000 7.409920 7.409920\n7.409920 0.000000 7.409920\n7.409920 7.409920 0.000000\nRb Na Si\n2 4 34\ndirect\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.625000 0.125000 0.125000 Na\n0.125000 0.125000 0.625000 Na\n0.125000 0.625000 0.125000 Na\n0.125000 0.125000 0.125000 Na\n0.889882 0.495370 0.119378 Si\n0.889882 0.495370 0.495370 Si\n0.119378 0.495370 0.495370 Si\n0.360118 0.130622 0.754630 Si\n0.754630 0.130622 0.754630 Si\n0.130622 0.754630 0.360118 Si\n0.754630 0.754630 0.360118 Si\n0.130622 0.360118 0.754630 Si\n0.360118 0.754630 0.130622 Si\n0.754630 0.754630 0.130622 Si\n0.754630 0.360118 0.754630 Si\n0.119378 0.495370 0.889882 Si\n0.495370 0.495370 0.889882 Si\n0.495370 0.889882 0.119378 Si\n0.495370 0.119378 0.889882 Si\n0.889882 0.119378 0.495370 Si\n0.495370 0.119378 0.495370 Si\n0.360118 0.754630 0.754630 Si\n0.130622 0.754630 0.754630 Si\n0.754630 0.360118 0.130622 Si\n0.907569 0.277294 0.907569 Si\n0.342431 0.342431 0.972706 Si\n0.972706 0.342431 0.342431 Si\n0.342431 0.342431 0.342431 Si\n0.277294 0.907569 0.907569 Si\n0.907569 0.907569 0.907569 Si\n0.907569 0.907569 0.277294 Si\n0.342431 0.972706 0.342431 Si\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.119378 0.889882 0.495370 Si\n0.495370 0.495370 0.119378 Si\n0.754630 0.130622 0.360118 Si\n0.495370 0.889882 0.495370 Si\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Si"
],
"chemical_system": "Na-Rb-Si",
"density": 2.48516433281663,
"density_atomic": 0.04915746039870313,
"volume": 813.7116863965429,
"volume_molar": 12.250715783842397,
"formula_full": "Rb2 Na4 Si34",
"formula_reduced": "RbNa2Si17",
"formula_anonymous": "AB2C17",
"energy": -190.8319983,
"energy_per_atom": -4.7707999575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.2459983,
"band_gap": 0.0909000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.258000Z",
"spacegroup": 227
},
{
"id": "mp-16783",
"created_at": "2022-09-04T14:41:53.846826Z",
"structure_string": "Cd4 Re4 O14\n1.0\n0.000000 5.191794 5.191794\n5.191794 0.000000 5.191794\n5.191794 5.191794 0.000000\nCd Re O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Cd\n0.125000 0.125000 0.625000 Cd\n0.625000 0.125000 0.125000 Cd\n0.125000 0.125000 0.125000 Cd\n0.625000 0.125000 0.625000 Re\n0.625000 0.625000 0.125000 Re\n0.125000 0.625000 0.625000 Re\n0.625000 0.625000 0.625000 Re\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.310687 0.310687 0.689313 O\n0.560687 0.560687 0.939313 O\n0.689313 0.310687 0.689313 O\n0.689313 0.310687 0.310687 O\n0.310687 0.689313 0.689313 O\n0.310687 0.689313 0.310687 O\n0.689313 0.689313 0.310687 O\n0.939313 0.560687 0.560687 O\n0.560687 0.939313 0.939313 O\n0.939313 0.939313 0.560687 O\n0.939313 0.560687 0.939313 O\n0.560687 0.939313 0.560687 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Re",
"O"
],
"chemical_system": "Cd-O-Re",
"density": 8.415597206873366,
"density_atomic": 0.0786032184039759,
"volume": 279.8867584140448,
"volume_molar": 7.661442981952236,
"formula_full": "Cd4 Re4 O14",
"formula_reduced": "Cd2Re2O7",
"formula_anonymous": "A2B2C7",
"energy": -161.39336418,
"energy_per_atom": -7.336062008181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.77536418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3486241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.468000Z",
"spacegroup": 227
},
{
"id": "mp-754069",
"created_at": "2022-09-04T14:41:54.212677Z",
"structure_string": "Co4 Hg2 O8\n1.0\n0.000000 4.383726 4.383726\n4.383726 0.000000 4.383726\n4.383726 4.383726 0.000000\nCo Hg O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Co\n0.625000 0.625000 0.625000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n0.809615 0.396795 0.396795 O\n0.853205 0.440385 0.853205 O\n0.853205 0.853205 0.440385 O\n0.396795 0.809615 0.396795 O\n0.396795 0.396795 0.396795 O\n0.440385 0.853205 0.853205 O\n0.853205 0.853205 0.853205 O\n0.396795 0.396795 0.809615 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Hg",
"O"
],
"chemical_system": "Co-Hg-O",
"density": 7.538728274537547,
"density_atomic": 0.08309364999811412,
"volume": 168.484595397094,
"volume_molar": 7.247413924092489,
"formula_full": "Co4 Hg2 O8",
"formula_reduced": "Co2HgO4",
"formula_anonymous": "AB2C4",
"energy": -82.99323663,
"energy_per_atom": -5.928088330714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.94523663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.907000Z",
"spacegroup": 227
},
{
"id": "mp-583800",
"created_at": "2022-09-04T14:41:54.814247Z",
"structure_string": "Zr16 Cu8\n1.0\n0.000000 6.154549 6.154549\n6.154549 0.000000 6.154549\n6.154549 6.154549 0.000000\nZr Cu\n16 8\ndirect\n0.935129 0.564871 0.564871 Zr\n0.935129 0.564871 0.935129 Zr\n0.685129 0.314871 0.314871 Zr\n0.314871 0.314871 0.685129 Zr\n0.314871 0.685129 0.685129 Zr\n0.564871 0.564871 0.935129 Zr\n0.564871 0.935129 0.935129 Zr\n0.125000 0.125000 0.125000 Zr\n0.935129 0.935129 0.564871 Zr\n0.314871 0.685129 0.314871 Zr\n0.564871 0.935129 0.564871 Zr\n0.685129 0.314871 0.685129 Zr\n0.685129 0.685129 0.314871 Zr\n0.125000 0.625000 0.125000 Zr\n0.125000 0.125000 0.625000 Zr\n0.625000 0.125000 0.125000 Zr\n0.998694 0.333769 0.333769 Cu\n0.333769 0.998694 0.333769 Cu\n0.916231 0.916231 0.916231 Cu\n0.251306 0.916231 0.916231 Cu\n0.916231 0.251306 0.916231 Cu\n0.916231 0.916231 0.251306 Cu\n0.333769 0.333769 0.998694 Cu\n0.333769 0.333769 0.333769 Cu\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.008819927006588,
"density_atomic": 0.05147454837497599,
"volume": 466.2498410897655,
"volume_molar": 11.699259051542498,
"formula_full": "Zr16 Cu8",
"formula_reduced": "Zr2Cu",
"formula_anonymous": "AB2",
"energy": -171.11239581,
"energy_per_atom": -7.129683158750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.11239581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.784000Z",
"spacegroup": 227
},
{
"id": "mp-1208017",
"created_at": "2022-09-04T14:41:55.441077Z",
"structure_string": "Tm8 Pt2\n1.0\n-5.438799 -5.438799 0.000000\n-5.438799 0.000000 -5.438799\n0.000000 -5.438799 -5.438799\nTm Pt\n8 2\ndirect\n0.610223 0.610223 0.610223 Tm\n0.169332 0.610223 0.610223 Tm\n0.610223 0.169332 0.610223 Tm\n0.580668 0.139777 0.139777 Tm\n0.139777 0.139777 0.139777 Tm\n0.610223 0.610223 0.169332 Tm\n0.139777 0.580668 0.139777 Tm\n0.139777 0.139777 0.580668 Tm\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tm",
"Pt"
],
"chemical_system": "Pt-Tm",
"density": 8.98812045824795,
"density_atomic": 0.031078566393811978,
"volume": 321.7651635949041,
"volume_molar": 19.377151068329397,
"formula_full": "Tm8 Pt2",
"formula_reduced": "Tm4Pt",
"formula_anonymous": "AB4",
"energy": -48.32694291,
"energy_per_atom": -4.832694291,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.32694291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1854669,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.539000Z",
"spacegroup": 227
},
{
"id": "mp-722937",
"created_at": "2022-09-04T14:41:56.090651Z",
"structure_string": "Zr12 Zn12 N4\n1.0\n0.000000 6.099268 6.099268\n6.099268 0.000000 6.099268\n6.099268 6.099268 0.000000\nZr Zn N\n12 12 4\ndirect\n0.813930 0.186070 0.186070 Zr\n0.186070 0.813930 0.186070 Zr\n0.813930 0.813930 0.186070 Zr\n0.186070 0.813930 0.813930 Zr\n0.813930 0.186070 0.813930 Zr\n0.186070 0.186070 0.813930 Zr\n0.436070 0.063930 0.063930 Zr\n0.063930 0.436070 0.063930 Zr\n0.436070 0.436070 0.063930 Zr\n0.063930 0.436070 0.436070 Zr\n0.436070 0.063930 0.436070 Zr\n0.063930 0.063930 0.436070 Zr\n0.418516 0.418516 0.744451 Zn\n0.418516 0.418516 0.418516 Zn\n0.744451 0.418516 0.418516 Zn\n0.418516 0.744451 0.418516 Zn\n0.831484 0.831484 0.505549 Zn\n0.831484 0.831484 0.831484 Zn\n0.505549 0.831484 0.831484 Zn\n0.831484 0.505549 0.831484 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"N"
],
"chemical_system": "N-Zn-Zr",
"density": 7.082827767923488,
"density_atomic": 0.06170138121623379,
"volume": 453.798593290374,
"volume_molar": 9.760139305302227,
"formula_full": "Zr12 Zn12 N4",
"formula_reduced": "Zr3Zn3N",
"formula_anonymous": "AB3C3",
"energy": -173.40391322,
"energy_per_atom": -6.192996900714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.95991322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5993499,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.168000Z",
"spacegroup": 227
},
{
"id": "mp-22071",
"created_at": "2022-09-04T14:41:55.946414Z",
"structure_string": "Sb8 O16\n1.0\n0.000000 5.263305 5.263305\n5.263305 0.000000 5.263305\n5.263305 5.263305 0.000000\nSb O\n8 16\ndirect\n0.876230 0.371310 0.876230 Sb\n0.373770 0.373770 0.878690 Sb\n0.373770 0.373770 0.373770 Sb\n0.878690 0.373770 0.373770 Sb\n0.876230 0.876230 0.876230 Sb\n0.371310 0.876230 0.876230 Sb\n0.876230 0.876230 0.371310 Sb\n0.373770 0.878690 0.373770 Sb\n0.125000 0.125000 0.125000 O\n0.625000 0.125000 0.125000 O\n0.125000 0.125000 0.625000 O\n0.125000 0.625000 0.125000 O\n0.945728 0.945728 0.554272 O\n0.695728 0.695728 0.304272 O\n0.554272 0.945728 0.554272 O\n0.554272 0.945728 0.945728 O\n0.554272 0.554272 0.945728 O\n0.304272 0.695728 0.695728 O\n0.695728 0.304272 0.304272 O\n0.304272 0.304272 0.695728 O\n0.304272 0.695728 0.304272 O\n0.695728 0.304272 0.695728 O\n0.945728 0.554272 0.945728 O\n0.945728 0.554272 0.554272 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 7.004440613030081,
"density_atomic": 0.08230109885997733,
"volume": 291.6121453108702,
"volume_molar": 7.317205776615142,
"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy": -145.26191507,
"energy_per_atom": -6.052579794583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.26991507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0117787,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.206000Z",
"spacegroup": 227
},
{
"id": "mp-1403906",
"created_at": "2022-09-04T14:41:55.869731Z",
"structure_string": "Ca2 V4 O8\n1.0\n0.000000 4.459448 4.459448\n4.459448 0.000000 4.459448\n4.459448 4.459448 0.000000\nCa V O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ca\n0.625000 0.625000 0.625000 V\n0.125000 0.625000 0.625000 V\n0.625000 0.125000 0.625000 V\n0.625000 0.625000 0.125000 V\n0.821898 0.392701 0.392701 O\n0.392701 0.821898 0.392701 O\n0.392701 0.392701 0.821898 O\n0.857299 0.857299 0.857299 O\n0.857299 0.857299 0.428102 O\n0.857299 0.428102 0.857299 O\n0.392701 0.392701 0.392701 O\n0.428102 0.857299 0.857299 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 3.8564323391730677,
"density_atomic": 0.0789322945007365,
"volume": 177.36719917434263,
"volume_molar": 7.629501711677479,
"formula_full": "Ca2 V4 O8",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy": -118.73373923,
"energy_per_atom": -8.480981373571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.43773923,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.066000Z",
"spacegroup": 227
},
{
"id": "mp-559200",
"created_at": "2022-09-04T14:41:55.978823Z",
"structure_string": "Cd2 In4 S8\n1.0\n0.000000 5.514410 5.514410\n5.514410 0.000000 5.514410\n5.514410 5.514410 0.000000\nCd In S\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cd\n0.125000 0.125000 0.625000 In\n0.125000 0.125000 0.125000 In\n0.125000 0.625000 0.125000 In\n0.625000 0.125000 0.125000 In\n0.884829 0.884829 0.345512 S\n0.345512 0.884829 0.884829 S\n0.884829 0.345512 0.884829 S\n0.365171 0.365171 0.365171 S\n0.884829 0.884829 0.884829 S\n0.904488 0.365171 0.365171 S\n0.365171 0.904488 0.365171 S\n0.365171 0.365171 0.904488 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"In",
"S"
],
"chemical_system": "Cd-In-S",
"density": 4.657291069079203,
"density_atomic": 0.041744655451832036,
"volume": 335.3722733717182,
"volume_molar": 14.426135980326336,
"formula_full": "Cd2 In4 S8",
"formula_reduced": "Cd(InS2)2",
"formula_anonymous": "AB2C4",
"energy": -58.22853315,
"energy_per_atom": -4.159180939285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.20453315,
"band_gap": 1.0503999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.122000Z",
"spacegroup": 227
}
]
}