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=volume&page=1722",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=1720",
"results": [
{
"id": "mp-1228909",
"created_at": "2022-09-04T14:48:07.055800Z",
"structure_string": "Al3 Si1 Pd4\n1.0\n3.438893 -3.474753 0.000000\n3.438893 3.474753 0.000000\n-0.072094 0.000000 4.888220\nAl Si Pd\n3 1 4\ndirect\n0.342315 0.157367 0.650096 Al\n0.157367 0.650096 0.342315 Al\n0.650096 0.342315 0.157367 Al\n0.843705 0.843705 0.843705 Si\n0.143432 0.143432 0.143432 Pd\n0.655440 0.851448 0.356197 Pd\n0.851448 0.356197 0.655440 Pd\n0.356197 0.655440 0.851448 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Si",
"Pd"
],
"chemical_system": "Al-Pd-Si",
"density": 7.600534887620268,
"density_atomic": 0.06848045639365131,
"volume": 116.82165133382001,
"volume_molar": 8.793955351848824,
"formula_full": "Al3 Si1 Pd4",
"formula_reduced": "Al3SiPd4",
"formula_anonymous": "AB3C4",
"energy": -43.95267445,
"energy_per_atom": -5.49408430625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.95267445,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.715000Z",
"spacegroup": 146
},
{
"id": "mp-1217688",
"created_at": "2022-09-04T14:39:50.063672Z",
"structure_string": "Tb2 Zn1 Cu1 Si2\n1.0\n0.000000 0.000000 -4.040588\n-2.040116 -3.539165 0.000000\n-6.126893 3.542942 0.000000\nTb Zn Cu Si\n2 1 1 2\ndirect\n0.000000 0.999989 0.003330 Tb\n0.000000 0.499916 0.496630 Tb\n0.500000 0.500222 0.835173 Zn\n0.500000 0.000120 0.332216 Cu\n0.500000 0.499782 0.172802 Si\n0.500000 0.999770 0.659849 Si\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Tb",
"Zn",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-Tb-Zn",
"density": 7.1494525598787675,
"density_atomic": 0.05136024355093725,
"volume": 116.82187593307293,
"volume_molar": 11.72529634527036,
"formula_full": "Tb2 Zn1 Cu1 Si2",
"formula_reduced": "Tb2ZnCuSi2",
"formula_anonymous": "ABC2D2",
"energy": -29.19176142,
"energy_per_atom": -4.8652935699999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.33376142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.698000Z",
"spacegroup": 25
},
{
"id": "mp-1039344",
"created_at": "2022-09-04T14:39:32.540776Z",
"structure_string": "Sn3 Bi1\n1.0\n-2.351252 2.351252 5.283086\n2.351252 -2.351252 5.283086\n2.351252 2.351252 -5.283086\nSn Bi\n3 1\ndirect\n0.500000 0.500000 0.000000 Sn\n0.250000 0.750000 0.500000 Sn\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Bi"
],
"chemical_system": "Bi-Sn",
"density": 8.032234325932897,
"density_atomic": 0.03423843960032425,
"volume": 116.82775403006737,
"volume_molar": 17.588829486093076,
"formula_full": "Sn3 Bi1",
"formula_reduced": "Sn3Bi",
"formula_anonymous": "AB3",
"energy": -15.49048688,
"energy_per_atom": -3.87262172,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.49048688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0231408,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.270000Z",
"spacegroup": 139
},
{
"id": "mp-1101265",
"created_at": "2022-09-04T14:47:18.089711Z",
"structure_string": "Tm2 Al2 O6\n1.0\n1.715643 -2.971581 0.000000\n1.715643 2.971581 0.000000\n0.000000 0.000000 11.458344\nTm Al O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.090250 O\n0.333333 0.666667 0.409750 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.909750 O\n0.666667 0.333333 0.590250 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Al",
"O"
],
"chemical_system": "Al-O-Tm",
"density": 6.9334499102895535,
"density_atomic": 0.0855920941919482,
"volume": 116.83322033894945,
"volume_molar": 7.035860983252484,
"formula_full": "Tm2 Al2 O6",
"formula_reduced": "TmAlO3",
"formula_anonymous": "ABC3",
"energy": -83.3311484,
"energy_per_atom": -8.33311484,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.2091484,
"band_gap": 3.5534000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.189000Z",
"spacegroup": 194
},
{
"id": "mp-5528",
"created_at": "2022-09-04T14:48:22.378515Z",
"structure_string": "Ni3 Sn2 S2\n1.0\n4.678438 -2.769677 0.000000\n4.678438 2.769677 0.000000\n3.038765 0.000000 4.508303\nNi Sn S\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.220622 0.220622 0.220622 S\n0.779378 0.779378 0.779378 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"S"
],
"chemical_system": "Ni-S-Sn",
"density": 6.788405563536658,
"density_atomic": 0.05991353498501283,
"volume": 116.83503571857388,
"volume_molar": 10.051386154241138,
"formula_full": "Ni3 Sn2 S2",
"formula_reduced": "Ni3(SnS)2",
"formula_anonymous": "A2B2C3",
"energy": -37.28937349,
"energy_per_atom": -5.327053355714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.28337349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.96e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:20.909000Z",
"spacegroup": 166
},
{
"id": "mp-1226653",
"created_at": "2022-09-04T14:40:16.943661Z",
"structure_string": "Ce1 Pt2 Au3\n1.0\n-2.740885 2.770302 3.847322\n2.740885 -2.770302 3.847322\n2.740885 2.770302 -3.847322\nCe Pt Au\n1 2 3\ndirect\n0.005944 0.005944 0.000000 Ce\n0.124909 0.374138 0.750771 Pt\n0.623367 0.374138 0.249229 Pt\n0.623379 0.872249 0.248870 Au\n0.623379 0.374509 0.751130 Au\n0.249022 0.749022 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pt",
"Au"
],
"chemical_system": "Au-Ce-Pt",
"density": 15.932701457300183,
"density_atomic": 0.0513469667621972,
"volume": 116.85208257359685,
"volume_molar": 11.728328155955722,
"formula_full": "Ce1 Pt2 Au3",
"formula_reduced": "CePt2Au3",
"formula_anonymous": "AB2C3",
"energy": -31.398646070000005,
"energy_per_atom": -5.233107678333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.398646070000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8506621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.675000Z",
"spacegroup": 44
},
{
"id": "mp-758456",
"created_at": "2022-09-04T14:46:12.262368Z",
"structure_string": "Li2 Mn2 F6\n1.0\n1.530856 -4.945377 0.000000\n1.530856 4.945377 0.000000\n0.000000 0.000000 7.718202\nLi Mn F\n2 2 6\ndirect\n0.738529 0.261471 0.250000 Li\n0.261471 0.738529 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.894071 0.105929 0.750000 F\n0.635528 0.364472 0.576185 F\n0.635528 0.364472 0.923815 F\n0.364472 0.635528 0.423815 F\n0.364472 0.635528 0.076185 F\n0.105929 0.894071 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.378212916463923,
"density_atomic": 0.0855697214492832,
"volume": 116.86376712032371,
"volume_molar": 7.037700553424494,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy": -63.06377044,
"energy_per_atom": -6.3063770439999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.95577044,
"band_gap": 3.4463,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.644000Z",
"spacegroup": 63
},
{
"id": "mp-754345",
"created_at": "2022-09-04T14:45:30.965918Z",
"structure_string": "Li2 Ta2 O6\n1.0\n5.444507 0.000000 0.000000\n0.000000 5.444507 0.000000\n0.000000 0.000000 3.942623\nLi Ta O\n2 2 6\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.500000 O\n0.683873 0.183873 0.000000 O\n0.183873 0.316127 0.000000 O\n0.500000 0.500000 0.500000 O\n0.816127 0.683873 0.000000 O\n0.316127 0.816127 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Ta",
"density": 6.703179903163183,
"density_atomic": 0.0855652902448112,
"volume": 116.86981919174187,
"volume_molar": 7.038065017684191,
"formula_full": "Li2 Ta2 O6",
"formula_reduced": "LiTaO3",
"formula_anonymous": "ABC3",
"energy": -87.60660486,
"energy_per_atom": -8.760660486,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.48460486,
"band_gap": 1.9614,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.134000Z",
"spacegroup": 127
},
{
"id": "mp-1187193",
"created_at": "2022-09-04T14:44:44.285741Z",
"structure_string": "Sr1 Ce1 Hg2\n1.0\n0.000000 3.880538 3.880538\n3.880538 0.000000 3.880538\n3.880538 3.880538 0.000000\nSr Ce Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ce\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg-Sr",
"density": 8.935851103028124,
"density_atomic": 0.03422584457792979,
"volume": 116.87074634176776,
"volume_molar": 17.595302129909513,
"formula_full": "Sr1 Ce1 Hg2",
"formula_reduced": "SrCeHg2",
"formula_anonymous": "ABC2",
"energy": -9.78063233,
"energy_per_atom": -2.4451580825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78063233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.073947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.066000Z",
"spacegroup": 225
},
{
"id": "mp-8207",
"created_at": "2022-09-04T14:43:20.837666Z",
"structure_string": "Zn1 Pt3 O6\n1.0\n3.602425 -5.031673 0.000000\n3.602425 5.031673 0.000000\n0.000000 0.000000 3.223845\nZn Pt O\n1 3 6\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.083144 0.338140 0.000000 O\n0.916856 0.661860 0.000000 O\n0.338140 0.083144 0.000000 O\n0.661860 0.916856 0.000000 O\n0.648926 0.351074 0.500000 O\n0.351074 0.648926 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Pt",
"O"
],
"chemical_system": "O-Pt-Zn",
"density": 10.608621757392768,
"density_atomic": 0.08556349071836117,
"volume": 116.87227713646901,
"volume_molar": 7.038213038575462,
"formula_full": "Zn1 Pt3 O6",
"formula_reduced": "Zn(PtO2)3",
"formula_anonymous": "AB3C6",
"energy": -60.22769541000001,
"energy_per_atom": -6.022769541000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.10569541,
"band_gap": 0.3047000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008014,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.589000Z",
"spacegroup": 65
},
{
"id": "mp-1216713",
"created_at": "2022-09-04T14:42:55.900995Z",
"structure_string": "V1 Co2 Se4\n1.0\n0.000000 3.444894 0.000000\n0.049462 0.000000 6.053189\n5.581789 1.722447 -2.807933\nV Co Se\n1 2 4\ndirect\n0.745159 0.311719 0.509683 V\n0.992015 0.007269 0.015971 Co\n0.263142 0.684746 0.473716 Co\n0.360599 0.973875 0.278801 Se\n0.635374 0.010322 0.729252 Se\n0.107324 0.564911 0.785352 Se\n0.896387 0.447158 0.207226 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Co",
"Se"
],
"chemical_system": "Co-Se-V",
"density": 6.885894704505002,
"density_atomic": 0.0598939552349618,
"volume": 116.87322990340604,
"volume_molar": 10.054672022202178,
"formula_full": "V1 Co2 Se4",
"formula_reduced": "V(CoSe2)2",
"formula_anonymous": "AB2C4",
"energy": -42.05895094,
"energy_per_atom": -6.008421562857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.17095094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0042938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.303000Z",
"spacegroup": 8
},
{
"id": "mp-861952",
"created_at": "2022-09-04T14:40:02.646068Z",
"structure_string": "Pu1 Bi3\n1.0\n-2.307278 2.307278 5.488556\n2.307278 -2.307278 5.488556\n2.307279 2.307278 -5.488556\nPu Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Bi"
],
"chemical_system": "Bi-Pu",
"density": 12.374278824661744,
"density_atomic": 0.03422488173086899,
"volume": 116.87403426122629,
"volume_molar": 17.595797137754182,
"formula_full": "Pu1 Bi3",
"formula_reduced": "PuBi3",
"formula_anonymous": "AB3",
"energy": -24.71239158,
"energy_per_atom": -6.178097895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.71239158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4619826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.992000Z",
"spacegroup": 139
}
]
}