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=-nelements&page=10167",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10165",
"results": [
{
"id": "mp-17501",
"created_at": "2022-09-04T14:47:59.851371Z",
"structure_string": "Ba4 Sc8 Te16\n1.0\n4.321639 0.000000 0.000000\n0.000000 13.468695 0.000000\n0.000000 0.000000 15.709489\nBa Sc Te\n4 8 16\ndirect\n0.250000 0.237770 0.328210 Ba\n0.750000 0.762230 0.671790 Ba\n0.250000 0.737770 0.171790 Ba\n0.750000 0.262230 0.828210 Ba\n0.250000 0.556369 0.389969 Sc\n0.750000 0.443631 0.610031 Sc\n0.250000 0.056369 0.110031 Sc\n0.750000 0.943631 0.889969 Sc\n0.750000 0.419914 0.096510 Sc\n0.250000 0.580086 0.903490 Sc\n0.750000 0.919914 0.403490 Sc\n0.250000 0.080086 0.596510 Sc\n0.750000 0.028271 0.715242 Te\n0.250000 0.971729 0.284758 Te\n0.750000 0.528271 0.784758 Te\n0.250000 0.471729 0.215242 Te\n0.750000 0.413082 0.426393 Te\n0.250000 0.586918 0.573607 Te\n0.750000 0.913082 0.073607 Te\n0.250000 0.086918 0.926393 Te\n0.750000 0.203205 0.149448 Te\n0.250000 0.796795 0.850552 Te\n0.750000 0.703205 0.350552 Te\n0.250000 0.296795 0.649448 Te\n0.750000 0.121504 0.474068 Te\n0.250000 0.878496 0.525932 Te\n0.750000 0.621504 0.025932 Te\n0.250000 0.378496 0.974068 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Te"
],
"chemical_system": "Ba-Sc-Te",
"density": 5.358173752532896,
"density_atomic": 0.030621183241582025,
"volume": 914.3996748622505,
"volume_molar": 19.66658411756681,
"formula_full": "Ba4 Sc8 Te16",
"formula_reduced": "Ba(ScTe2)2",
"formula_anonymous": "AB2C4",
"energy": -154.60906986,
"energy_per_atom": -5.521752495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.85706986,
"band_gap": 0.3053999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0039889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.113000Z",
"spacegroup": 62
},
{
"id": "mp-1216626",
"created_at": "2022-09-04T14:47:59.866779Z",
"structure_string": "Tm1 Cr2 Fe10\n1.0\n0.000000 0.000000 4.690115\n-4.215865 4.185310 2.345058\n-4.215865 -4.185310 -2.345058\nTm Cr Fe\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.367269 0.367269 Cr\n0.000000 0.632731 0.632731 Cr\n0.724312 0.775688 0.224312 Fe\n0.275688 0.224312 0.775688 Fe\n0.500000 0.773554 0.773554 Fe\n0.500000 0.226446 0.226446 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.641093 0.358907 0.641093 Fe\n0.358907 0.641093 0.358907 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tm",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Tm",
"density": 8.341016513511653,
"density_atomic": 0.07854445642278132,
"volume": 165.5113625081939,
"volume_molar": 7.667174787721002,
"formula_full": "Tm1 Cr2 Fe10",
"formula_reduced": "Tm(CrFe5)2",
"formula_anonymous": "AB2C10",
"energy": -108.56182006000002,
"energy_per_atom": -8.350909235384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.56182006000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.1877526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.058000Z",
"spacegroup": 71
},
{
"id": "mp-1212893",
"created_at": "2022-09-04T14:47:59.879591Z",
"structure_string": "Dy4 B28 Mo12\n1.0\n0.000000 -3.109902 0.000000\n-11.021484 0.000000 0.000000\n0.000000 0.000000 -12.910293\nDy B Mo\n4 28 12\ndirect\n0.750000 0.551142 0.308143 Dy\n0.250000 0.448858 0.691857 Dy\n0.250000 0.948858 0.808143 Dy\n0.750000 0.051142 0.191857 Dy\n0.750000 0.750578 0.173545 B\n0.250000 0.249422 0.826455 B\n0.250000 0.749422 0.673545 B\n0.750000 0.250578 0.326455 B\n0.750000 0.932165 0.383939 B\n0.250000 0.067835 0.616061 B\n0.250000 0.567835 0.883939 B\n0.750000 0.432165 0.116061 B\n0.750000 0.989493 0.637453 B\n0.250000 0.010507 0.362547 B\n0.250000 0.510507 0.137453 B\n0.750000 0.489493 0.862547 B\n0.750000 0.769649 0.418095 B\n0.250000 0.230351 0.581905 B\n0.250000 0.730351 0.918095 B\n0.750000 0.269649 0.081905 B\n0.750000 0.962656 0.982002 B\n0.250000 0.037344 0.017998 B\n0.250000 0.537344 0.482002 B\n0.750000 0.462656 0.517998 B\n0.750000 0.813047 0.933390 B\n0.250000 0.186953 0.066610 B\n0.250000 0.686953 0.433390 B\n0.750000 0.313047 0.566610 B\n0.750000 0.833873 0.667130 B\n0.250000 0.166127 0.332870 B\n0.250000 0.666127 0.167130 B\n0.750000 0.333873 0.832870 B\n0.750000 0.117743 0.473064 Mo\n0.250000 0.882257 0.526936 Mo\n0.250000 0.382257 0.973064 Mo\n0.750000 0.617743 0.026936 Mo\n0.750000 0.659586 0.563852 Mo\n0.250000 0.340414 0.436148 Mo\n0.250000 0.840414 0.063852 Mo\n0.750000 0.159586 0.936148 Mo\n0.750000 0.684786 0.798243 Mo\n0.250000 0.315214 0.201757 Mo\n0.250000 0.815214 0.298243 Mo\n0.750000 0.184786 0.701757 Mo\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Dy",
"B",
"Mo"
],
"chemical_system": "B-Dy-Mo",
"density": 7.895315314815985,
"density_atomic": 0.0994328298555322,
"volume": 442.50978337766725,
"volume_molar": 6.056491370857774,
"formula_full": "Dy4 B28 Mo12",
"formula_reduced": "DyB7Mo3",
"formula_anonymous": "AB3C7",
"energy": -360.25954712,
"energy_per_atom": -8.18771698,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.25954712,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.681000Z",
"spacegroup": 62
},
{
"id": "mp-1207375",
"created_at": "2022-09-04T14:48:00.013008Z",
"structure_string": "Er2 S2 Br2\n1.0\n10.643556 0.000000 0.000000\n0.000000 13.592218 0.000000\n0.000000 0.000000 34.238955\nEr S Br\n2 2 2\ndirect\n0.500000 0.500000 0.116074 Er\n0.500000 0.500000 0.883926 Er\n0.500000 0.500000 0.049826 S\n0.500000 0.500000 0.950174 S\n0.500000 0.500000 0.671677 Br\n0.500000 0.500000 0.328323 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"S",
"Br"
],
"chemical_system": "Br-Er-S",
"density": 0.18721492863832037,
"density_atomic": 0.0012113054418141497,
"volume": 4953.333645569949,
"volume_molar": 497.16120741443643,
"formula_full": "Er2 S2 Br2",
"formula_reduced": "ErSBr",
"formula_anonymous": "ABC",
"energy": -17.799739510000002,
"energy_per_atom": -2.966623251666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72573951,
"band_gap": 0.0294999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8112694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.715000Z",
"spacegroup": 47
},
{
"id": "mp-1017482",
"created_at": "2022-09-04T14:48:00.019848Z",
"structure_string": "Li2 Hf2 Mg12\n1.0\n5.070394 0.000000 0.000000\n0.000000 6.330363 0.000000\n0.000000 0.000000 11.032554\nLi Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.332226 Li\n0.000000 0.000000 0.832226 Li\n0.500000 0.500000 0.165549 Hf\n0.500000 0.000000 0.665549 Hf\n0.000000 0.254571 0.084790 Mg\n0.000000 0.745429 0.084790 Mg\n0.000000 0.000000 0.333222 Mg\n0.500000 0.745623 0.417382 Mg\n0.500000 0.254377 0.417382 Mg\n0.500000 0.000000 0.164658 Mg\n0.000000 0.754571 0.584790 Mg\n0.000000 0.245429 0.584790 Mg\n0.000000 0.500000 0.833222 Mg\n0.500000 0.245623 0.917382 Mg\n0.500000 0.754377 0.917382 Mg\n0.500000 0.500000 0.664658 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Mg"
],
"chemical_system": "Hf-Li-Mg",
"density": 3.1067264690747374,
"density_atomic": 0.045182847618165344,
"volume": 354.1166801883321,
"volume_molar": 13.328378084737746,
"formula_full": "Li2 Hf2 Mg12",
"formula_reduced": "LiHfMg6",
"formula_anonymous": "ABC6",
"energy": -40.98678626,
"energy_per_atom": -2.56167414125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.98678626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.951000Z",
"spacegroup": 38
},
{
"id": "mp-1208620",
"created_at": "2022-09-04T14:47:59.904459Z",
"structure_string": "Zn24 Si2 Ni8\n1.0\n-15.996837 -15.996837 0.000000\n-15.996837 -0.000000 -15.996837\n0.000000 -15.996837 -15.996837\nZn Si Ni\n24 2 8\ndirect\n0.560286 0.560286 0.189989 Zn\n0.689440 0.189989 0.560286 Zn\n0.189989 0.689440 0.560286 Zn\n0.560286 0.189989 0.560286 Zn\n0.060560 0.189714 0.560011 Zn\n0.189714 0.189714 0.560011 Zn\n0.560286 0.560286 0.689440 Zn\n0.189989 0.560286 0.689440 Zn\n0.189714 0.560011 0.189714 Zn\n0.060560 0.560011 0.189714 Zn\n0.689440 0.560286 0.189989 Zn\n0.189714 0.060560 0.189714 Zn\n0.560011 0.060560 0.189714 Zn\n0.560286 0.689440 0.560286 Zn\n0.560011 0.189714 0.060560 Zn\n0.189714 0.189714 0.060560 Zn\n0.189989 0.560286 0.560286 Zn\n0.560286 0.189989 0.689440 Zn\n0.689440 0.560286 0.560286 Zn\n0.560286 0.689440 0.189989 Zn\n0.189714 0.560011 0.060560 Zn\n0.560011 0.189714 0.189714 Zn\n0.189714 0.060560 0.560011 Zn\n0.060560 0.189714 0.189714 Zn\n-0.000000 -0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Si\n0.787865 0.787865 0.787865 Ni\n0.636404 0.787865 0.787865 Ni\n0.787865 0.636404 0.787865 Ni\n0.113596 0.962135 0.962135 Ni\n0.962135 0.962135 0.962135 Ni\n0.787865 0.787865 0.636404 Ni\n0.962135 0.113596 0.962135 Ni\n0.962135 0.962135 0.113596 Ni\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Zn",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Zn",
"density": 0.42502208374103917,
"density_atomic": 0.0041528530395530325,
"volume": 8187.142592375334,
"volume_molar": 145.01213268669284,
"formula_full": "Zn24 Si2 Ni8",
"formula_reduced": "Zn12SiNi4",
"formula_anonymous": "AB4C12",
"energy": -38.51056571,
"energy_per_atom": -1.1326636973529411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.51056571,
"band_gap": 0.2053000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0090468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.546000Z",
"spacegroup": 227
},
{
"id": "mp-1101382",
"created_at": "2022-09-04T14:47:59.930888Z",
"structure_string": "Sc2 Cr2 O8\n1.0\n-3.485678 3.384698 3.071425\n3.485688 -3.384683 3.071421\n3.485665 3.384669 -3.071409\nSc Cr O\n2 2 8\ndirect\n0.863656 0.113657 0.750002 Sc\n0.136357 0.886358 0.250003 Sc\n0.633231 0.383241 0.249988 Cr\n0.366706 0.616691 0.749994 Cr\n0.804501 0.362577 0.058060 O\n0.252361 0.191432 0.060919 O\n0.630514 0.191449 0.439082 O\n0.804516 0.746442 0.441943 O\n0.195496 0.253558 0.558057 O\n0.369505 0.808574 0.560927 O\n0.747651 0.808581 0.939078 O\n0.195506 0.637440 0.941946 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sc",
"density": 3.687773685384773,
"density_atomic": 0.08278973259812183,
"volume": 144.94550982850055,
"volume_molar": 7.274018855976615,
"formula_full": "Sc2 Cr2 O8",
"formula_reduced": "ScCrO4",
"formula_anonymous": "ABC4",
"energy": -103.06273772999998,
"energy_per_atom": -8.588561477499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.56873773,
"band_gap": 0.2657000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.216000Z",
"spacegroup": 74
},
{
"id": "mp-5926",
"created_at": "2022-09-04T14:47:59.952153Z",
"structure_string": "K4 Ca4 F12\n1.0\n6.209429 0.000000 0.000000\n0.000000 6.314057 0.000000\n0.000000 0.000000 8.841767\nK Ca F\n4 4 12\ndirect\n0.491485 0.038450 0.250000 K\n0.991485 0.461550 0.750000 K\n0.008515 0.538450 0.250000 K\n0.508515 0.961550 0.750000 K\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.207128 0.291409 0.457968 F\n0.707128 0.208591 0.542032 F\n0.292872 0.791409 0.042032 F\n0.792872 0.708591 0.957968 F\n0.792872 0.708591 0.542032 F\n0.292872 0.791409 0.457968 F\n0.707128 0.208591 0.957968 F\n0.207128 0.291409 0.042032 F\n0.920319 0.972522 0.250000 F\n0.420319 0.527478 0.750000 F\n0.579681 0.472522 0.250000 F\n0.079681 0.027478 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Ca",
"F"
],
"chemical_system": "Ca-F-K",
"density": 2.609132358702981,
"density_atomic": 0.05769401535301071,
"volume": 346.65640582695755,
"volume_molar": 10.438068356228113,
"formula_full": "K4 Ca4 F12",
"formula_reduced": "KCaF3",
"formula_anonymous": "ABC3",
"energy": -109.90015161,
"energy_per_atom": -5.495007580499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.35615161,
"band_gap": 6.6502,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.331000Z",
"spacegroup": 62
},
{
"id": "mp-542752",
"created_at": "2022-09-04T14:48:00.216562Z",
"structure_string": "Ce4 Co2 Sn5\n1.0\n2.213002 7.033145 0.000000\n-2.213002 7.033145 0.000000\n0.000000 6.783703 8.652406\nCe Co Sn\n4 2 5\ndirect\n0.068245 0.068245 0.777947 Ce\n0.931755 0.931755 0.222053 Ce\n0.333518 0.333518 0.780759 Ce\n0.666482 0.666482 0.219241 Ce\n0.765219 0.765219 0.651381 Co\n0.234781 0.234781 0.348619 Co\n0.374674 0.374674 0.046614 Sn\n0.625326 0.625326 0.953386 Sn\n0.000000 0.000000 0.500000 Sn\n0.350062 0.350062 0.474503 Sn\n0.649938 0.649938 0.525497 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Sn"
],
"chemical_system": "Ce-Co-Sn",
"density": 7.8414631473569925,
"density_atomic": 0.040840817067288086,
"volume": 269.33839207665056,
"volume_molar": 14.745397355978712,
"formula_full": "Ce4 Co2 Sn5",
"formula_reduced": "Ce4Co2Sn5",
"formula_anonymous": "A2B4C5",
"energy": -63.6402811,
"energy_per_atom": -5.7854801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.6402811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.016819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.749000Z",
"spacegroup": 12
},
{
"id": "mp-795639",
"created_at": "2022-09-04T14:48:00.236392Z",
"structure_string": "Rb2 Be4 Pt3\n1.0\n0.000000 5.092318 6.449121\n3.278163 0.000000 6.449121\n3.278163 5.092318 0.000000\nRb Be Pt\n2 4 3\ndirect\n0.348684 0.348684 0.651316 Rb\n0.651316 0.651316 0.348684 Rb\n0.077971 0.723624 0.276376 Be\n0.922029 0.276376 0.723624 Be\n0.276376 0.922029 0.077971 Be\n0.723624 0.077971 0.922029 Be\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Be",
"Pt"
],
"chemical_system": "Be-Pt-Rb",
"density": 6.10980386872789,
"density_atomic": 0.041799003483173336,
"volume": 215.3161379462803,
"volume_molar": 14.407378784578635,
"formula_full": "Rb2 Be4 Pt3",
"formula_reduced": "Rb2Be4Pt3",
"formula_anonymous": "A2B3C4",
"energy": -33.8675422,
"energy_per_atom": -3.7630602444444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.8675422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.945000Z",
"spacegroup": 69
},
{
"id": "mp-777553",
"created_at": "2022-09-04T14:48:00.416437Z",
"structure_string": "Li6 Fe6 F24\n1.0\n3.884485 -6.728125 0.000000\n3.884485 6.728125 0.000000\n0.000000 0.000000 7.917478\nLi Fe F\n6 6 24\ndirect\n0.954753 0.800949 0.055369 Li\n0.996308 0.347227 0.999587 Li\n0.350919 0.003692 0.666254 Li\n0.199051 0.153804 0.388702 Li\n0.652773 0.649081 0.332920 Li\n0.846196 0.045247 0.722036 Li\n0.129511 0.662162 0.381390 Fe\n0.337838 0.467350 0.714723 Fe\n0.532650 0.870489 0.048057 Fe\n0.407398 0.241536 0.064380 Fe\n0.834138 0.592602 0.731047 Fe\n0.758464 0.165862 0.397713 Fe\n0.274309 0.707359 0.157926 F\n0.377444 0.016526 0.925459 F\n0.100454 0.732430 0.631665 F\n0.983474 0.360918 0.258792 F\n0.267570 0.368024 0.964999 F\n0.311212 0.231495 0.616090 F\n0.433051 0.725691 0.824592 F\n0.292641 0.566949 0.491259 F\n0.631976 0.899546 0.298332 F\n0.145498 0.059425 0.149742 F\n0.447597 0.382271 0.271810 F\n0.292805 0.945174 0.405219 F\n0.639082 0.622556 0.592126 F\n0.574107 0.406121 0.850596 F\n0.652369 0.707195 0.071885 F\n0.913926 0.854502 0.816409 F\n0.920283 0.688788 0.282757 F\n0.832014 0.425893 0.517263 F\n0.617729 0.065326 0.605144 F\n0.934674 0.552403 0.938477 F\n0.593879 0.167986 0.183929 F\n0.054826 0.347631 0.738552 F\n0.940575 0.086074 0.483075 F\n0.768505 0.079717 0.949424 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.34103986858769,
"density_atomic": 0.08698775839368861,
"volume": 413.8513356910687,
"volume_molar": 6.922974992348966,
"formula_full": "Li6 Fe6 F24",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy": -207.05963425,
"energy_per_atom": -5.751656506944444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.43563425,
"band_gap": 3.3558,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.739000Z",
"spacegroup": 144
},
{
"id": "mp-1020594",
"created_at": "2022-09-04T14:48:00.083959Z",
"structure_string": "Zn8 Si4 O16\n1.0\n5.142864 0.000000 0.000000\n0.000000 6.743913 0.000000\n0.000000 0.000000 10.435498\nZn Si O\n8 4 16\ndirect\n0.674034 0.999367 0.655626 Zn\n0.825966 0.500633 0.155626 Zn\n0.325966 0.499367 0.344374 Zn\n0.174034 0.000633 0.844374 Zn\n0.325966 0.000633 0.344374 Zn\n0.174034 0.499367 0.844374 Zn\n0.674034 0.500633 0.655626 Zn\n0.825966 0.999367 0.155626 Zn\n0.176534 0.250000 0.593018 Si\n0.323466 0.250000 0.093018 Si\n0.823466 0.750000 0.406982 Si\n0.676534 0.750000 0.906982 Si\n0.857779 0.250000 0.612045 O\n0.642221 0.250000 0.112045 O\n0.142221 0.750000 0.387955 O\n0.357779 0.750000 0.887955 O\n0.235940 0.250000 0.941418 O\n0.264060 0.250000 0.441418 O\n0.764060 0.750000 0.058582 O\n0.735940 0.750000 0.558582 O\n0.294214 0.050631 0.663964 O\n0.205786 0.449369 0.163964 O\n0.705786 0.550631 0.336036 O\n0.794214 0.949369 0.836036 O\n0.705786 0.949369 0.336036 O\n0.794214 0.550631 0.836036 O\n0.294214 0.449369 0.663964 O\n0.205786 0.050631 0.163964 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.090638697520787,
"density_atomic": 0.07736202930492696,
"volume": 361.9346629292306,
"volume_molar": 7.78436245029636,
"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy": -179.18405183,
"energy_per_atom": -6.399430422499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.19205183,
"band_gap": 2.677,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.624000Z",
"spacegroup": 62
}
]
}