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=10141",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10139",
"results": [
{
"id": "mp-1225665",
"created_at": "2022-09-04T14:42:49.248595Z",
"structure_string": "Dy1 Al6 Cu6\n1.0\n0.000000 0.000000 5.095926\n-4.290300 4.333004 2.547963\n-4.290300 -4.333004 -2.547963\nDy Al Cu\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.651600 0.348400 0.651600 Al\n0.348400 0.651600 0.348400 Al\n0.000000 0.345486 0.345486 Al\n0.000000 0.654514 0.654514 Al\n0.705763 0.794237 0.205763 Al\n0.294237 0.205763 0.794237 Al\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.773509 0.773509 Cu\n0.500000 0.226491 0.226491 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Dy",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Dy",
"density": 6.184690309676009,
"density_atomic": 0.06861411917573129,
"volume": 189.46537762446536,
"volume_molar": 8.776824409239113,
"formula_full": "Dy1 Al6 Cu6",
"formula_reduced": "Dy(AlCu)6",
"formula_anonymous": "AB6C6",
"energy": -56.25301156999999,
"energy_per_atom": -4.327154736153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.25301156999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.631000Z",
"spacegroup": 71
},
{
"id": "mp-1095845",
"created_at": "2022-09-04T14:48:22.717411Z",
"structure_string": "Li1 Ti2 Os1\n1.0\n-5.249533 5.350918 7.480480\n5.249533 -5.350918 7.480480\n5.249533 5.350918 -7.480480\nLi Ti Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.292900 0.292900 Ti\n0.000000 0.707100 0.707100 Ti\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Os"
],
"chemical_system": "Li-Os-Ti",
"density": 0.5786786497903298,
"density_atomic": 0.004759064249566804,
"volume": 840.5013654447093,
"volume_molar": 126.54043829200597,
"formula_full": "Li1 Ti2 Os1",
"formula_reduced": "LiTi2Os",
"formula_anonymous": "ABC2",
"energy": -17.3085216,
"energy_per_atom": -4.3271304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.3085216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7283528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.202000Z",
"spacegroup": 71
},
{
"id": "mp-1210342",
"created_at": "2022-09-04T14:41:01.478943Z",
"structure_string": "Th6 In26 Ni8\n1.0\n9.657443 0.000000 0.000000\n0.000000 9.657443 0.000000\n0.000000 0.000000 9.657443\nTh In Ni\n6 26 8\ndirect\n0.250000 0.000000 0.500000 Th\n0.750000 0.000000 0.500000 Th\n0.500000 0.250000 0.000000 Th\n0.500000 0.750000 0.000000 Th\n0.000000 0.500000 0.250000 Th\n0.000000 0.500000 0.750000 Th\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.155463 0.304505 In\n0.000000 0.844537 0.695495 In\n0.000000 0.844537 0.304505 In\n0.000000 0.155463 0.695495 In\n0.304505 0.000000 0.155463 In\n0.655463 0.500000 0.195495 In\n0.695495 0.000000 0.844537 In\n0.344537 0.500000 0.804505 In\n0.304505 0.000000 0.844537 In\n0.344537 0.500000 0.195495 In\n0.695495 0.000000 0.155463 In\n0.655463 0.500000 0.804505 In\n0.155463 0.304505 0.000000 In\n0.500000 0.804505 0.344537 In\n0.844537 0.695495 0.000000 In\n0.500000 0.195495 0.655463 In\n0.155463 0.695495 0.000000 In\n0.500000 0.195495 0.344537 In\n0.844537 0.304505 0.000000 In\n0.500000 0.804505 0.655463 In\n0.195495 0.655463 0.500000 In\n0.804505 0.344537 0.500000 In\n0.195495 0.344537 0.500000 In\n0.804505 0.655463 0.500000 In\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.750000 0.750000 0.250000 Ni\n0.750000 0.250000 0.750000 Ni\n0.250000 0.250000 0.750000 Ni\n0.250000 0.750000 0.250000 Ni\n0.250000 0.750000 0.750000 Ni\n0.750000 0.250000 0.250000 Ni\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Th",
"In",
"Ni"
],
"chemical_system": "In-Ni-Th",
"density": 8.935925915785472,
"density_atomic": 0.04440925940792558,
"volume": 900.713061494138,
"volume_molar": 13.560552101720589,
"formula_full": "Th6 In26 Ni8",
"formula_reduced": "Th3In13Ni4",
"formula_anonymous": "A3B4C13",
"energy": -173.083108,
"energy_per_atom": -4.3270777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.083108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.044000Z",
"spacegroup": 223
},
{
"id": "mp-1215515",
"created_at": "2022-09-04T14:44:24.552207Z",
"structure_string": "Zn4 Fe1 S5\n1.0\n15.747407 -1.920887 0.000000\n15.747407 1.920887 0.000000\n15.513095 0.000000 3.318812\nZn Fe S\n4 1 5\ndirect\n0.999959 0.999959 0.999959 Zn\n0.599970 0.599970 0.599970 Zn\n0.199980 0.199980 0.199980 Zn\n0.799974 0.799974 0.799974 Zn\n0.399943 0.399943 0.399943 Fe\n0.950009 0.950009 0.950009 S\n0.550020 0.550020 0.550020 S\n0.150003 0.150003 0.150003 S\n0.749829 0.749829 0.749829 S\n0.350314 0.350314 0.350314 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.9516382409951256,
"density_atomic": 0.049805405809251656,
"volume": 200.7814179508691,
"volume_molar": 12.091339608925244,
"formula_full": "Zn4 Fe1 S5",
"formula_reduced": "Zn4FeS5",
"formula_anonymous": "AB4C5",
"energy": -43.27039707,
"energy_per_atom": -4.327039707,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.75539707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.998112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.706000Z",
"spacegroup": 160
},
{
"id": "mp-29575",
"created_at": "2022-09-04T14:43:38.021518Z",
"structure_string": "Cs6 Fe4 Cl18\n1.0\n3.741599 -6.480639 0.000000\n3.741599 6.480639 0.000000\n0.000000 0.000000 18.159060\nCs Fe Cl\n6 4 18\ndirect\n0.666667 0.333333 0.916707 Cs\n0.333333 0.666667 0.416707 Cs\n0.666667 0.333333 0.583293 Cs\n0.333333 0.666667 0.083293 Cs\n0.000000 0.000000 0.750000 Cs\n0.000000 0.000000 0.250000 Cs\n0.333333 0.666667 0.845508 Fe\n0.666667 0.333333 0.345508 Fe\n0.666667 0.333333 0.154492 Fe\n0.333333 0.666667 0.654492 Fe\n0.640445 0.820222 0.591637 Cl\n0.640445 0.820222 0.908363 Cl\n0.179778 0.359555 0.591637 Cl\n0.179778 0.820222 0.908363 Cl\n0.820222 0.179778 0.408363 Cl\n0.820222 0.640445 0.408363 Cl\n0.520709 0.041418 0.250000 Cl\n0.479291 0.520709 0.750000 Cl\n0.041418 0.520709 0.750000 Cl\n0.958582 0.479291 0.250000 Cl\n0.179778 0.359555 0.908363 Cl\n0.479291 0.958582 0.750000 Cl\n0.820222 0.640445 0.091637 Cl\n0.179778 0.820222 0.591637 Cl\n0.520709 0.479291 0.250000 Cl\n0.359555 0.179778 0.091637 Cl\n0.820222 0.179778 0.091637 Cl\n0.359555 0.179778 0.408363 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"Fe",
"Cl"
],
"chemical_system": "Cl-Cs-Fe",
"density": 3.128155538525229,
"density_atomic": 0.03179505651189241,
"volume": 880.6400450814442,
"volume_molar": 18.940493965618582,
"formula_full": "Cs6 Fe4 Cl18",
"formula_reduced": "Cs3Fe2Cl9",
"formula_anonymous": "A2B3C9",
"energy": -121.15694277,
"energy_per_atom": -4.327033670357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.10494277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0038787,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.598000Z",
"spacegroup": 194
},
{
"id": "mp-555629",
"created_at": "2022-09-04T14:46:58.714060Z",
"structure_string": "Sb4 Te4 Cl12 F24\n1.0\n6.539933 0.000000 0.000000\n0.000000 8.669150 0.000000\n0.000000 0.000000 17.501263\nSb Te Cl F\n4 4 12 24\ndirect\n0.848069 0.250000 0.575085 Sb\n0.348069 0.750000 0.924915 Sb\n0.151931 0.750000 0.424915 Sb\n0.651931 0.250000 0.075085 Sb\n0.128839 0.250000 0.895770 Te\n0.628839 0.750000 0.604230 Te\n0.871161 0.750000 0.104230 Te\n0.371161 0.250000 0.395770 Te\n0.592102 0.443184 0.357095 Cl\n0.407898 0.943184 0.642905 Cl\n0.592102 0.056816 0.357095 Cl\n0.092102 0.943184 0.142905 Cl\n0.664555 0.750000 0.211404 Cl\n0.907898 0.443184 0.857095 Cl\n0.835445 0.750000 0.711404 Cl\n0.907898 0.056816 0.857095 Cl\n0.092102 0.556816 0.142905 Cl\n0.407898 0.556816 0.642905 Cl\n0.335445 0.250000 0.788596 Cl\n0.164555 0.250000 0.288596 Cl\n0.578394 0.250000 0.527016 F\n0.727411 0.250000 0.674129 F\n0.272589 0.750000 0.325871 F\n0.962781 0.250000 0.474287 F\n0.537219 0.250000 0.974287 F\n0.772589 0.250000 0.174129 F\n0.616603 0.750000 0.882709 F\n0.339958 0.526915 0.926365 F\n0.227411 0.750000 0.825871 F\n0.160042 0.526915 0.426365 F\n0.383397 0.250000 0.117291 F\n0.037219 0.750000 0.525713 F\n0.883397 0.750000 0.382709 F\n0.078394 0.750000 0.972984 F\n0.839958 0.473085 0.573635 F\n0.462781 0.750000 0.025713 F\n0.839958 0.026915 0.573635 F\n0.660042 0.026915 0.073635 F\n0.921606 0.250000 0.027016 F\n0.339958 0.973085 0.926365 F\n0.660042 0.473085 0.073635 F\n0.160042 0.973085 0.426365 F\n0.116603 0.250000 0.617291 F\n0.421606 0.750000 0.472984 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"Te",
"Cl",
"F"
],
"chemical_system": "Cl-F-Sb-Te",
"density": 3.1442650639272522,
"density_atomic": 0.04434385736731741,
"volume": 992.245659540416,
"volume_molar": 13.580552341480505,
"formula_full": "Sb4 Te4 Cl12 F24",
"formula_reduced": "SbTe(ClF2)3",
"formula_anonymous": "ABC3D6",
"energy": -190.37928898,
"energy_per_atom": -4.3268020222727275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.92328898,
"band_gap": 3.717,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.497000Z",
"spacegroup": 62
},
{
"id": "mp-1219845",
"created_at": "2022-09-04T14:46:27.771400Z",
"structure_string": "Pr2 Zn1 Bi4\n1.0\n4.616470 0.000000 0.000000\n0.000000 4.616470 0.000000\n0.000000 0.000000 10.096515\nPr Zn Bi\n2 1 4\ndirect\n0.500000 0.000000 0.739762 Pr\n0.000000 0.500000 0.260238 Pr\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.340369 Bi\n0.000000 0.500000 0.659631 Bi\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Bi"
],
"chemical_system": "Bi-Pr-Zn",
"density": 9.1305275328687,
"density_atomic": 0.03253168136279288,
"volume": 215.1748605286057,
"volume_molar": 18.51161854452331,
"formula_full": "Pr2 Zn1 Bi4",
"formula_reduced": "Pr2ZnBi4",
"formula_anonymous": "AB2C4",
"energy": -30.286557700000003,
"energy_per_atom": -4.3266511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.286557700000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.177000Z",
"spacegroup": 115
},
{
"id": "mp-1184939",
"created_at": "2022-09-04T14:39:29.294789Z",
"structure_string": "K1 Li1 O3\n1.0\n4.048757 0.000000 0.000000\n0.000000 4.048757 0.000000\n0.000000 0.000000 4.048757\nK Li O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Li",
"O"
],
"chemical_system": "K-Li-O",
"density": 2.3528001362383453,
"density_atomic": 0.07533640093298397,
"volume": 66.36897884792486,
"volume_molar": 7.993666654393323,
"formula_full": "K1 Li1 O3",
"formula_reduced": "KLiO3",
"formula_anonymous": "ABC3",
"energy": -21.63304975,
"energy_per_atom": -4.32660995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.57204975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.005000Z",
"spacegroup": 221
},
{
"id": "mp-9935",
"created_at": "2022-09-04T14:41:14.011617Z",
"structure_string": "Ge1 Sb1\n1.0\n0.000000 2.913484 2.913484\n2.913484 0.000000 2.913484\n2.913484 2.913484 0.000000\nGe Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Sb"
],
"chemical_system": "Ge-Sb",
"density": 6.52645653665578,
"density_atomic": 0.040435432038421364,
"volume": 49.46157118092912,
"volume_molar": 14.893227193115731,
"formula_full": "Ge1 Sb1",
"formula_reduced": "GeSb",
"formula_anonymous": "AB",
"energy": -8.65317811,
"energy_per_atom": -4.326589055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.46117811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.308000Z",
"spacegroup": 225
},
{
"id": "mp-1228656",
"created_at": "2022-09-04T14:42:24.555245Z",
"structure_string": "Ba8 Ge43\n1.0\n7.669055 -7.681938 0.000000\n7.669055 7.681938 0.000000\n-0.025789 0.000000 10.854764\nBa Ge\n8 43\ndirect\n0.747861 0.747861 0.747861 Ba\n0.252139 0.252139 0.252139 Ba\n0.000000 0.744111 0.255889 Ba\n0.744111 0.255889 0.000000 Ba\n0.255889 0.000000 0.744111 Ba\n0.500000 0.743421 0.256579 Ba\n0.743421 0.256579 0.500000 Ba\n0.256579 0.500000 0.743421 Ba\n0.748995 0.862535 0.056800 Ge\n0.862535 0.056800 0.748995 Ge\n0.056800 0.748995 0.862535 Ge\n0.749684 0.622856 0.421768 Ge\n0.622856 0.421768 0.749684 Ge\n0.421768 0.749684 0.622856 Ge\n0.749129 0.863497 0.445093 Ge\n0.623090 0.085408 0.750069 Ge\n0.750069 0.623090 0.085408 Ge\n0.863497 0.445093 0.749129 Ge\n0.085408 0.750069 0.623090 Ge\n0.445093 0.749129 0.863497 Ge\n0.914592 0.376910 0.249931 Ge\n0.250871 0.554907 0.136503 Ge\n0.137465 0.251005 0.943200 Ge\n0.554907 0.136503 0.250871 Ge\n0.249931 0.914592 0.376910 Ge\n0.377144 0.250316 0.578232 Ge\n0.578232 0.377144 0.250316 Ge\n0.250316 0.578232 0.377144 Ge\n0.943200 0.137465 0.251005 Ge\n0.251005 0.943200 0.137465 Ge\n0.376910 0.249931 0.914592 Ge\n0.136503 0.250871 0.554907 Ge\n0.934312 0.934312 0.934312 Ge\n0.567383 0.567383 0.567383 Ge\n0.562887 0.935563 0.572355 Ge\n0.929759 0.567541 0.939755 Ge\n0.935563 0.572355 0.562887 Ge\n0.567541 0.939755 0.929759 Ge\n0.572355 0.562887 0.935563 Ge\n0.939755 0.929759 0.567541 Ge\n0.060245 0.432459 0.070241 Ge\n0.427645 0.064437 0.437113 Ge\n0.432617 0.432617 0.432617 Ge\n0.065688 0.065688 0.065688 Ge\n0.432459 0.070241 0.060245 Ge\n0.064437 0.437113 0.427645 Ge\n0.070241 0.060245 0.432459 Ge\n0.437113 0.427645 0.064437 Ge\n0.000000 0.250029 0.749971 Ge\n0.250029 0.749971 0.000000 Ge\n0.749971 0.000000 0.250029 Ge\n",
"nsites": 51,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.481738124065656,
"density_atomic": 0.03987559208901572,
"volume": 1278.9778741379153,
"volume_molar": 15.102323111733508,
"formula_full": "Ba8 Ge43",
"formula_reduced": "Ba8Ge43",
"formula_anonymous": "A8B43",
"energy": -220.65491501,
"energy_per_atom": -4.326566960980392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.65491501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0273102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.618000Z",
"spacegroup": 155
},
{
"id": "mp-1096592",
"created_at": "2022-09-04T14:46:37.178454Z",
"structure_string": "Hf2 Zn1 Fe1\n1.0\n-5.076576 5.429406 7.936759\n5.076576 -5.429406 7.936759\n5.076576 5.429406 -7.936759\nHf Zn Fe\n2 1 1\ndirect\n0.000000 0.206054 0.206054 Hf\n0.000000 0.793946 0.793946 Hf\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"Fe"
],
"chemical_system": "Fe-Hf-Zn",
"density": 0.9075345155377788,
"density_atomic": 0.004571235503134952,
"volume": 875.0369560388655,
"volume_molar": 131.7398929866995,
"formula_full": "Hf2 Zn1 Fe1",
"formula_reduced": "Hf2ZnFe",
"formula_anonymous": "ABC2",
"energy": -17.30623937,
"energy_per_atom": -4.3265598425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.30623937,
"band_gap": 0.5825,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.313000Z",
"spacegroup": 71
},
{
"id": "mp-1217671",
"created_at": "2022-09-04T14:41:27.651551Z",
"structure_string": "Tb6 Ga19 Pt3\n1.0\n4.241541 0.000000 0.000000\n-2.120771 -6.162551 5.086908\n2.120771 -6.131939 -15.227510\nTb Ga Pt\n6 19 3\ndirect\n0.250588 0.749355 0.248180 Tb\n0.751233 0.251501 0.749036 Tb\n0.407962 0.229131 0.413206 Tb\n0.912839 0.735195 0.909517 Tb\n0.086477 0.263228 0.090273 Tb\n0.589999 0.769525 0.589526 Tb\n0.173877 0.803435 0.455681 Ga\n0.682173 0.316912 0.952566 Ga\n0.315772 0.672077 0.040533 Ga\n0.823809 0.195091 0.547473 Ga\n0.456123 0.097024 0.184778 Ga\n0.956957 0.589886 0.675972 Ga\n0.042884 0.412664 0.326895 Ga\n0.548230 0.914557 0.818098 Ga\n0.724760 0.555217 0.105697 Ga\n0.230452 0.064607 0.603703 Ga\n0.767250 0.933543 0.399044 Ga\n0.271673 0.432804 0.889457 Ga\n0.604678 0.441153 0.231797 Ga\n0.107407 0.943819 0.729005 Ga\n0.891873 0.058170 0.274424 Ga\n0.397833 0.565445 0.769778 Ga\n0.507972 0.008471 0.992527 Ga\n0.998691 0.498561 0.501180 Ga\n0.889436 0.887675 0.108803 Ga\n0.390903 0.392453 0.610648 Pt\n0.608637 0.607195 0.389922 Pt\n0.109512 0.111306 0.892282 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Tb",
"density": 8.966118765516208,
"density_atomic": 0.0527970916943821,
"volume": 530.3322418226941,
"volume_molar": 11.406197892223652,
"formula_full": "Tb6 Ga19 Pt3",
"formula_reduced": "Tb6Ga19Pt3",
"formula_anonymous": "A3B6C19",
"energy": -121.14225091,
"energy_per_atom": -4.326508961071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.14225091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.138000Z",
"spacegroup": 8
}
]
}