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_molar&page=10381",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10379",
"results": [
{
"id": "mp-556750",
"created_at": "2022-09-04T14:42:18.177792Z",
"structure_string": "Co1 O2\n1.0\n1.535388 2.402946 0.000000\n-1.535388 2.402946 0.000000\n0.000000 0.736696 10.635734\nCo O\n1 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.205083 0.205083 0.407263 O\n0.794917 0.794917 0.592737 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 1.9240050199716034,
"density_atomic": 0.038226244977534136,
"volume": 78.48011233546804,
"volume_molar": 15.753942778160026,
"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -19.75755073,
"energy_per_atom": -6.585850243333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74555073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.574000Z",
"spacegroup": 12
},
{
"id": "mp-31421",
"created_at": "2022-09-04T14:47:11.705319Z",
"structure_string": "Pr2 Ag2 Sn2\n1.0\n2.420229 -4.191960 0.000000\n2.420229 4.191960 0.000000\n0.000000 0.000000 7.735629\nPr Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.750907 Pr\n0.000000 0.000000 0.250907 Pr\n0.666667 0.333333 0.552366 Ag\n0.333333 0.666667 0.052366 Ag\n0.333333 0.666667 0.471727 Sn\n0.666667 0.333333 0.971727 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Ag",
"Sn"
],
"chemical_system": "Ag-Pr-Sn",
"density": 7.775359810704634,
"density_atomic": 0.03822539936372387,
"volume": 156.96369691022863,
"volume_molar": 15.754291283389566,
"formula_full": "Pr2 Ag2 Sn2",
"formula_reduced": "PrAgSn",
"formula_anonymous": "ABC",
"energy": -26.97426486,
"energy_per_atom": -4.49571081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.97426486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.034000Z",
"spacegroup": 186
},
{
"id": "mp-645694",
"created_at": "2022-09-04T14:45:57.830732Z",
"structure_string": "Ce12 Lu4 Se24\n1.0\n4.100907 0.000000 0.000000\n0.000000 14.521528 0.000000\n0.000000 0.000000 17.571910\nCe Lu Se\n12 4 24\ndirect\n0.000000 0.749086 0.600367 Ce\n0.500000 0.249086 0.899633 Ce\n0.500000 0.681138 0.848974 Ce\n0.000000 0.181138 0.651026 Ce\n0.000000 0.048220 0.219128 Ce\n0.500000 0.548220 0.280872 Ce\n0.000000 0.250914 0.399633 Ce\n0.500000 0.750914 0.100367 Ce\n0.000000 0.951780 0.780872 Ce\n0.500000 0.318862 0.151026 Ce\n0.500000 0.451780 0.719128 Ce\n0.000000 0.818862 0.348974 Ce\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.592153 0.579420 Se\n0.000000 0.022872 0.393561 Se\n0.500000 0.810702 0.476329 Se\n0.500000 0.522872 0.106439 Se\n0.500000 0.874756 0.887956 Se\n0.500000 0.895402 0.246173 Se\n0.000000 0.689298 0.976329 Se\n0.000000 0.395402 0.253827 Se\n0.500000 0.125244 0.112044 Se\n0.000000 0.686139 0.210312 Se\n0.500000 0.104598 0.753827 Se\n0.500000 0.407847 0.420580 Se\n0.000000 0.310702 0.023671 Se\n0.000000 0.625244 0.387956 Se\n0.500000 0.189298 0.523671 Se\n0.000000 0.092153 0.920580 Se\n0.500000 0.186139 0.289688 Se\n0.500000 0.477128 0.893561 Se\n0.000000 0.604598 0.746173 Se\n0.500000 0.813861 0.710312 Se\n0.000000 0.977128 0.606439 Se\n0.000000 0.313861 0.789688 Se\n0.000000 0.374756 0.612044 Se\n0.000000 0.907847 0.079420 Se\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ce",
"Lu",
"Se"
],
"chemical_system": "Ce-Lu-Se",
"density": 6.7858781233425,
"density_atomic": 0.03822511353562231,
"volume": 1046.4324707034202,
"volume_molar": 15.754409086026433,
"formula_full": "Ce12 Lu4 Se24",
"formula_reduced": "Ce3LuSe6",
"formula_anonymous": "AB3C6",
"energy": -267.66691344,
"energy_per_atom": -6.6916728359999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.33891344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4253486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.188000Z",
"spacegroup": 58
},
{
"id": "mp-23572",
"created_at": "2022-09-04T14:42:37.521011Z",
"structure_string": "K4 Bi4 P8 S28\n1.0\n12.744124 0.000000 0.000000\n0.000000 9.238198 0.000000\n0.000000 0.071872 9.777083\nK Bi P S\n4 4 8 28\ndirect\n0.688351 0.626006 0.888162 K\n0.188351 0.873994 0.111838 K\n0.311649 0.373994 0.111838 K\n0.811649 0.126006 0.888162 K\n0.636979 0.373601 0.348314 Bi\n0.136979 0.126399 0.651686 Bi\n0.363021 0.626399 0.651686 Bi\n0.863021 0.873601 0.348314 Bi\n0.608734 0.016921 0.227788 P\n0.108734 0.483079 0.772212 P\n0.391266 0.983079 0.772212 P\n0.891266 0.516921 0.227788 P\n0.534172 0.302037 0.679159 P\n0.034172 0.197963 0.320841 P\n0.465828 0.697963 0.320841 P\n0.965828 0.802037 0.679159 P\n0.811232 0.844726 0.655396 S\n0.311232 0.655274 0.344604 S\n0.188768 0.155274 0.344604 S\n0.688768 0.344726 0.655396 S\n0.710924 0.890393 0.123844 S\n0.210924 0.609607 0.876156 S\n0.289076 0.109607 0.876156 S\n0.789076 0.390393 0.123844 S\n0.968634 0.069762 0.174015 S\n0.468634 0.430238 0.825985 S\n0.031366 0.930238 0.825985 S\n0.531366 0.569762 0.174015 S\n0.824682 0.569421 0.410024 S\n0.324682 0.930579 0.589976 S\n0.175318 0.430579 0.589976 S\n0.675318 0.069421 0.410024 S\n0.050385 0.815611 0.502748 S\n0.550385 0.684389 0.497252 S\n0.949615 0.184389 0.497252 S\n0.449615 0.315611 0.502748 S\n0.457489 0.917221 0.248788 S\n0.957489 0.582779 0.751212 S\n0.542511 0.082779 0.751212 S\n0.042511 0.417221 0.248788 S\n0.942319 0.702571 0.133630 S\n0.442319 0.797429 0.866370 S\n0.057681 0.297429 0.866370 S\n0.557681 0.202571 0.133630 S\n",
"nsites": 44,
"nelements": 4,
"elements": [
"K",
"Bi",
"P",
"S"
],
"chemical_system": "Bi-K-P-S",
"density": 3.084146401755438,
"density_atomic": 0.03822487904357324,
"volume": 1151.0827790937833,
"volume_molar": 15.754505732078975,
"formula_full": "K4 Bi4 P8 S28",
"formula_reduced": "KBiP2S7",
"formula_anonymous": "ABC2D7",
"energy": -214.36594224,
"energy_per_atom": -4.8719532327272725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.28194224,
"band_gap": 2.1971000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006633,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.966000Z",
"spacegroup": 14
},
{
"id": "mp-24424",
"created_at": "2022-09-04T14:39:35.714120Z",
"structure_string": "Ba2 H2 Br2\n1.0\n4.586028 0.000000 0.000000\n0.000000 4.586028 0.000000\n0.000000 0.000000 7.463733\nBa H Br\n2 2 2\ndirect\n0.500000 0.000000 0.806726 Ba\n0.000000 0.500000 0.193274 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.659158 Br\n0.500000 0.000000 0.340842 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 4.617233497270195,
"density_atomic": 0.038222734291080994,
"volume": 156.97464117317367,
"volume_molar": 15.755389748255723,
"formula_full": "Ba2 H2 Br2",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy": -23.87615615,
"energy_per_atom": -3.9793593583333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.45015615,
"band_gap": 3.2113,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013218,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.573000Z",
"spacegroup": 129
},
{
"id": "mp-30223",
"created_at": "2022-09-04T14:39:42.876583Z",
"structure_string": "La4 Fe4 I2\n1.0\n2.035488 -3.525569 0.000000\n2.035488 3.525569 0.000000\n0.000000 0.000000 18.228543\nLa Fe I\n4 4 2\ndirect\n0.000000 0.000000 0.105666 La\n0.000000 0.000000 0.605666 La\n0.000000 0.000000 0.894334 La\n0.000000 0.000000 0.394334 La\n0.666667 0.333333 0.998207 Fe\n0.333333 0.666667 0.498207 Fe\n0.333333 0.666667 0.001793 Fe\n0.666667 0.333333 0.501793 Fe\n0.666667 0.333333 0.250000 I\n0.333333 0.666667 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Fe",
"I"
],
"chemical_system": "Fe-I-La",
"density": 6.555263575871913,
"density_atomic": 0.0382226049746883,
"volume": 261.62528709443484,
"volume_molar": 15.75544305258098,
"formula_full": "La4 Fe4 I2",
"formula_reduced": "La2Fe2I",
"formula_anonymous": "AB2C2",
"energy": -62.3563653,
"energy_per_atom": -6.23563653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.5983653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7716903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.510000Z",
"spacegroup": 194
},
{
"id": "mp-1180896",
"created_at": "2022-09-04T14:47:59.307957Z",
"structure_string": "K3 Re1 C4 N4 O2\n1.0\n6.663593 -0.307146 -2.696443\n-2.799967 8.340514 -1.975565\n-0.892884 -0.273395 7.174384\nK Re C N O\n3 1 4 4 2\ndirect\n0.354635 0.086847 0.711116 K\n0.645365 0.913153 0.288884 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Re\n0.635432 0.861772 0.807830 C\n0.940359 0.705995 0.927235 C\n0.059641 0.294005 0.072765 C\n0.364568 0.138228 0.192170 C\n0.856599 0.202910 0.954398 N\n0.431632 0.786765 0.695727 N\n0.143401 0.797090 0.045602 N\n0.568368 0.213235 0.304273 N\n0.981609 0.973998 0.737031 O\n0.018391 0.026002 0.262969 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"K",
"Re",
"C",
"N",
"O"
],
"chemical_system": "C-K-N-O-Re",
"density": 1.9927982433191616,
"density_atomic": 0.03822204581240901,
"volume": 366.2807602897807,
"volume_molar": 15.755673543891985,
"formula_full": "K3 Re1 C4 N4 O2",
"formula_reduced": "K3ReC4(N2O)2",
"formula_anonymous": "AB2C3D4E4",
"energy": -103.24347172,
"energy_per_atom": -7.374533694285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.42547172,
"band_gap": 2.4696,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.704000Z",
"spacegroup": 2
},
{
"id": "mp-1683",
"created_at": "2022-09-04T14:48:11.802232Z",
"structure_string": "Zr2 Se6\n1.0\n3.788102 0.000000 0.000000\n0.000000 5.484967 0.000000\n0.000000 1.290980 10.073742\nZr Se\n2 6\ndirect\n0.750000 0.715044 0.647974 Zr\n0.250000 0.284956 0.352026 Zr\n0.250000 0.892906 0.810951 Se\n0.750000 0.107094 0.189049 Se\n0.250000 0.459492 0.810335 Se\n0.750000 0.540508 0.189665 Se\n0.250000 0.762188 0.448839 Se\n0.750000 0.237812 0.551161 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 5.205999364554638,
"density_atomic": 0.03822112620468256,
"volume": 209.30832747204352,
"volume_molar": 15.756052628460262,
"formula_full": "Zr2 Se6",
"formula_reduced": "ZrSe3",
"formula_anonymous": "AB3",
"energy": -49.28760738,
"energy_per_atom": -6.1609509225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.45560738,
"band_gap": 0.3979000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.11e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.827000Z",
"spacegroup": 11
},
{
"id": "mp-861628",
"created_at": "2022-09-04T14:39:10.662193Z",
"structure_string": "Er2 Tl1 Cd1\n1.0\n0.000000 3.740357 3.740357\n3.740357 0.000000 3.740357\n3.740357 3.740357 0.000000\nEr Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tl",
"Cd"
],
"chemical_system": "Cd-Er-Tl",
"density": 10.334018028443944,
"density_atomic": 0.03822001286029665,
"volume": 104.65721229924655,
"volume_molar": 15.756511600381652,
"formula_full": "Er2 Tl1 Cd1",
"formula_reduced": "Er2TlCd",
"formula_anonymous": "ABC2",
"energy": -13.70180443,
"energy_per_atom": -3.4254511075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.70180443,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0429345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.291000Z",
"spacegroup": 225
},
{
"id": "mp-27707",
"created_at": "2022-09-04T14:41:03.915441Z",
"structure_string": "Rb2 Co2 Cl6\n1.0\n3.579946 -6.200649 0.000000\n3.579946 6.200649 0.000000\n0.000000 0.000000 5.893534\nRb Co Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.844057 0.155943 0.750000 Cl\n0.688114 0.844057 0.250000 Cl\n0.155943 0.311886 0.250000 Cl\n0.844057 0.688114 0.750000 Cl\n0.155943 0.844057 0.250000 Cl\n0.311886 0.155943 0.750000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-Rb",
"density": 3.182862906389398,
"density_atomic": 0.038219111562599106,
"volume": 261.6492009140766,
"volume_molar": 15.756883176460901,
"formula_full": "Rb2 Co2 Cl6",
"formula_reduced": "RbCoCl3",
"formula_anonymous": "ABC3",
"energy": -42.57212357,
"energy_per_atom": -4.257212357,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.88812357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.177000Z",
"spacegroup": 194
},
{
"id": "mp-1223225",
"created_at": "2022-09-04T14:43:59.057735Z",
"structure_string": "La2 Al3 Sn1\n1.0\n4.449215 0.000000 0.000000\n0.000000 4.513723 0.000000\n0.000000 0.000000 7.817429\nLa Al Sn\n2 3 1\ndirect\n0.000000 0.500000 0.997013 La\n0.000000 0.000000 0.503907 La\n0.500000 0.000000 0.830089 Al\n0.500000 0.000000 0.154370 Al\n0.500000 0.500000 0.678187 Al\n0.500000 0.500000 0.336434 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Sn"
],
"chemical_system": "Al-La-Sn",
"density": 5.0502037818946945,
"density_atomic": 0.0382180926129511,
"volume": 156.99370611621677,
"volume_molar": 15.757303277765505,
"formula_full": "La2 Al3 Sn1",
"formula_reduced": "La2Al3Sn",
"formula_anonymous": "AB2C3",
"energy": -28.41167557,
"energy_per_atom": -4.735279261666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.41167557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0563773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.203000Z",
"spacegroup": 25
},
{
"id": "mp-30949",
"created_at": "2022-09-04T14:44:18.292486Z",
"structure_string": "Sr12 Si4 O4\n1.0\n7.158830 0.000000 0.000000\n0.000000 7.200197 0.000000\n0.000000 0.000000 10.152598\nSr Si O\n12 4 4\ndirect\n0.217961 0.781532 0.965964 Sr\n0.282039 0.281532 0.534036 Sr\n0.717961 0.718468 0.034036 Sr\n0.782039 0.218468 0.465964 Sr\n0.217961 0.781532 0.534036 Sr\n0.282039 0.281532 0.965964 Sr\n0.717961 0.718468 0.465964 Sr\n0.782039 0.218468 0.034036 Sr\n0.934889 0.488478 0.750000 Sr\n0.565111 0.988478 0.750000 Sr\n0.434889 0.011522 0.250000 Sr\n0.065111 0.511522 0.250000 Sr\n0.007089 0.027573 0.750000 Si\n0.492911 0.527573 0.750000 Si\n0.507089 0.472427 0.250000 Si\n0.992911 0.972427 0.250000 Si\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr",
"density": 3.895882875045612,
"density_atomic": 0.03821786103321145,
"volume": 523.3155247129066,
"volume_molar": 15.757398758571913,
"formula_full": "Sr12 Si4 O4",
"formula_reduced": "Sr3SiO",
"formula_anonymous": "ABC3",
"energy": -90.67954457,
"energy_per_atom": -4.5339772285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.21554457000002,
"band_gap": 0.4234,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001774,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.648000Z",
"spacegroup": 62
}
]
}