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=10199",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10197",
"results": [
{
"id": "mp-1026674",
"created_at": "2022-09-04T14:42:43.333084Z",
"structure_string": "Na1 Sr1 Mg14\n1.0\n6.666898 0.000000 -0.000000\n-3.333449 5.773703 0.000000\n-0.000000 0.000000 10.516620\nNa Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Na\n0.166667 0.333333 0.625000 Sr\n0.168992 0.834496 0.125000 Mg\n0.173521 0.836760 0.625000 Mg\n0.665504 0.331008 0.125000 Mg\n0.663240 0.326479 0.625000 Mg\n0.665504 0.834496 0.125000 Mg\n0.663240 0.836760 0.625000 Mg\n0.338414 0.161586 0.369632 Mg\n0.338414 0.161586 0.880368 Mg\n0.338414 0.676829 0.369632 Mg\n0.338414 0.676829 0.880368 Mg\n0.823171 0.161586 0.369632 Mg\n0.823171 0.161586 0.880368 Mg\n0.833333 0.666667 0.377649 Mg\n0.833333 0.666667 0.872351 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 1.8495045935082763,
"density_atomic": 0.03952442406545216,
"volume": 404.81298281548936,
"volume_molar": 15.236504774939615,
"formula_full": "Na1 Sr1 Mg14",
"formula_reduced": "NaSrMg14",
"formula_anonymous": "ABC14",
"energy": -24.43436934,
"energy_per_atom": -1.52714808375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.43436934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.428000Z",
"spacegroup": 187
},
{
"id": "mp-1193656",
"created_at": "2022-09-04T14:47:57.760550Z",
"structure_string": "Cs8 W4 O16\n1.0\n6.782843 0.000000 0.000000\n0.000000 8.736421 0.000000\n0.000000 0.000000 11.955002\nCs W O\n8 4 16\ndirect\n0.750000 0.509830 0.791037 Cs\n0.750000 0.009830 0.708963 Cs\n0.250000 0.490170 0.208963 Cs\n0.250000 0.990170 0.291037 Cs\n0.750000 0.828530 0.079916 Cs\n0.750000 0.328530 0.420084 Cs\n0.250000 0.171470 0.920084 Cs\n0.250000 0.671470 0.579916 Cs\n0.750000 0.273789 0.080625 W\n0.750000 0.773789 0.419375 W\n0.250000 0.726211 0.919375 W\n0.250000 0.226211 0.580625 W\n0.750000 0.481290 0.082130 O\n0.750000 0.981290 0.417870 O\n0.250000 0.518710 0.917870 O\n0.250000 0.018710 0.582130 O\n0.750000 0.205599 0.936283 O\n0.750000 0.705599 0.563717 O\n0.250000 0.794401 0.063717 O\n0.250000 0.294401 0.436283 O\n0.970177 0.201475 0.149812 O\n0.529823 0.701475 0.350188 O\n0.470177 0.798525 0.850188 O\n0.029823 0.298525 0.649812 O\n0.029823 0.798525 0.850188 O\n0.470177 0.298525 0.649812 O\n0.529823 0.201475 0.149812 O\n0.970177 0.701475 0.350188 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"W",
"O"
],
"chemical_system": "Cs-O-W",
"density": 4.815929761211954,
"density_atomic": 0.03952419737510754,
"volume": 708.4267830732595,
"volume_molar": 15.236592163646979,
"formula_full": "Cs8 W4 O16",
"formula_reduced": "Cs2WO4",
"formula_anonymous": "AB2C4",
"energy": -201.30998307,
"energy_per_atom": -7.1896422525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.56598307,
"band_gap": 4.5732,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001759,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.264000Z",
"spacegroup": 62
},
{
"id": "mp-1232112",
"created_at": "2022-09-04T14:46:22.713658Z",
"structure_string": "Tb4 Mg2 S8\n1.0\n0.000000 5.615821 5.615821\n5.615821 0.000000 5.615821\n5.615821 5.615821 0.000000\nTb Mg S\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Tb\n0.125000 0.125000 0.625000 Tb\n0.625000 0.125000 0.125000 Tb\n0.125000 0.125000 0.125000 Tb\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.879405 0.879405 0.879405 S\n0.361786 0.879405 0.879405 S\n0.879405 0.361786 0.879405 S\n0.879405 0.879405 0.361786 S\n0.370595 0.370595 0.888214 S\n0.370595 0.888214 0.370595 S\n0.888214 0.370595 0.370595 S\n0.370595 0.370595 0.370595 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tb",
"density": 4.410533606993211,
"density_atomic": 0.03952376154121079,
"volume": 354.21729749589815,
"volume_molar": 15.236760179622102,
"formula_full": "Tb4 Mg2 S8",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy": -85.10140485,
"energy_per_atom": -6.078671774999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.07740485,
"band_gap": 1.8836,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.075000Z",
"spacegroup": 227
},
{
"id": "mp-1207929",
"created_at": "2022-09-04T14:45:56.479960Z",
"structure_string": "Tm1 Bi1 Rh1\n1.0\n0.000000 3.360559 3.360559\n3.360559 0.000000 3.360559\n3.360559 3.360559 0.000000\nTm Bi Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tm",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-Tm",
"density": 10.518823105204156,
"density_atomic": 0.03952361729897529,
"volume": 75.90398361836631,
"volume_molar": 15.236815786484534,
"formula_full": "Tm1 Bi1 Rh1",
"formula_reduced": "TmBiRh",
"formula_anonymous": "ABC",
"energy": -16.31618049,
"energy_per_atom": -5.43872683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.31618049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.498000Z",
"spacegroup": 216
},
{
"id": "mp-1100996",
"created_at": "2022-09-04T14:40:59.911298Z",
"structure_string": "Tl1 In5 S8\n1.0\n3.956516 -0.072480 -1.140059\n-0.482241 9.102830 -2.239749\n0.760666 -0.135007 9.657277\nTl In S\n1 5 8\ndirect\n0.534858 0.480875 0.065536 Tl\n0.999485 0.999751 0.998397 In\n0.285337 0.662345 0.575893 In\n0.371483 0.082786 0.705824 In\n0.631690 0.913749 0.289765 In\n0.720523 0.333040 0.431169 In\n0.060685 0.794114 0.133782 S\n0.167484 0.469448 0.328912 S\n0.242095 0.157452 0.478733 S\n0.411421 0.873945 0.825398 S\n0.588173 0.126767 0.174617 S\n0.748235 0.848823 0.520963 S\n0.828831 0.532095 0.666234 S\n0.939680 0.204699 0.864737 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 4.851906409972762,
"density_atomic": 0.039523356055946944,
"volume": 354.22093154696734,
"volume_molar": 15.23691649938687,
"formula_full": "Tl1 In5 S8",
"formula_reduced": "TlIn5S8",
"formula_anonymous": "AB5C8",
"energy": -60.46758815,
"energy_per_atom": -4.319113439285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.44358815,
"band_gap": 1.5410999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.510000Z",
"spacegroup": 1
},
{
"id": "mp-1179413",
"created_at": "2022-09-04T14:47:18.540664Z",
"structure_string": "Ta1 S2\n1.0\n1.526928 -2.644717 0.000000\n1.526928 2.644717 0.000000\n0.000000 0.000000 9.398141\nTa S\n1 2\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.749704 S\n0.000000 0.000000 0.250296 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 5.3614652364046425,
"density_atomic": 0.03952314873700552,
"volume": 75.90488348897921,
"volume_molar": 15.236996424734423,
"formula_full": "Ta1 S2",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -19.47143928,
"energy_per_atom": -6.4904797599999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.46543928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110558,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.255000Z",
"spacegroup": 191
},
{
"id": "mp-1213020",
"created_at": "2022-09-04T14:39:15.525791Z",
"structure_string": "Cs1 La1 W2\n1.0\n-2.576509 2.576509 3.811411\n2.576509 -2.576509 3.811411\n2.576509 2.576509 -3.811411\nCs La W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.000000 La\n0.750000 0.250000 0.500000 W\n0.250000 0.750000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"La",
"W"
],
"chemical_system": "Cs-La-W",
"density": 10.492388894987673,
"density_atomic": 0.0395230898154913,
"volume": 101.2066621985657,
"volume_molar": 15.237019140238342,
"formula_full": "Cs1 La1 W2",
"formula_reduced": "CsLaW2",
"formula_anonymous": "ABC2",
"energy": -22.45969466,
"energy_per_atom": -5.614923665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.45969466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8051926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.476000Z",
"spacegroup": 139
},
{
"id": "mp-1028058",
"created_at": "2022-09-04T14:44:10.220393Z",
"structure_string": "Sr1 Y1 Mg14\n1.0\n6.642857 -0.004093 0.000000\n-3.324973 5.759022 0.000000\n0.000000 0.000000 10.585841\nSr Y Mg\n1 1 14\ndirect\n0.169540 0.834769 0.125000 Sr\n0.175330 0.337665 0.125000 Y\n0.164489 0.332244 0.625000 Mg\n0.165730 0.832865 0.625000 Mg\n0.663502 0.331354 0.125000 Mg\n0.667792 0.333405 0.625000 Mg\n0.663502 0.832147 0.125000 Mg\n0.667792 0.834386 0.625000 Mg\n0.338613 0.174848 0.386878 Mg\n0.338613 0.174848 0.863122 Mg\n0.338613 0.663766 0.386878 Mg\n0.338613 0.663766 0.863122 Mg\n0.831023 0.165512 0.376112 Mg\n0.831023 0.165512 0.873888 Mg\n0.822913 0.661457 0.383068 Mg\n0.822913 0.661457 0.866932 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Y",
"Mg"
],
"chemical_system": "Mg-Sr-Y",
"density": 2.1197938526943236,
"density_atomic": 0.03952259900699891,
"volume": 404.83167610426176,
"volume_molar": 15.237208360041205,
"formula_full": "Sr1 Y1 Mg14",
"formula_reduced": "SrYMg14",
"formula_anonymous": "ABC14",
"energy": -29.88981865,
"energy_per_atom": -1.868113665625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88981865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.403000Z",
"spacegroup": 38
},
{
"id": "mp-1224994",
"created_at": "2022-09-04T14:42:23.663551Z",
"structure_string": "Ga2 Cu2 Te2 Se2\n1.0\n-2.942453 2.949441 5.830917\n2.942453 -2.949441 5.830917\n2.942453 2.949441 -5.830917\nGa Cu Te Se\n2 2 2 2\ndirect\n0.133726 0.883726 0.250000 Ga\n0.366274 0.616274 0.750000 Ga\n0.634226 0.384226 0.250000 Cu\n0.865774 0.115774 0.750000 Cu\n0.250000 0.486523 0.236523 Te\n0.750000 0.013477 0.263477 Te\n0.505904 0.250000 0.755904 Se\n0.994096 0.750000 0.744096 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Cu",
"Te",
"Se"
],
"chemical_system": "Cu-Ga-Se-Te",
"density": 5.57562340136708,
"density_atomic": 0.03952245271520216,
"volume": 202.41658729147724,
"volume_molar": 15.23726476035129,
"formula_full": "Ga2 Cu2 Te2 Se2",
"formula_reduced": "GaCuTeSe",
"formula_anonymous": "ABCD",
"energy": -32.20306917,
"energy_per_atom": -4.02538364625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.41506917,
"band_gap": 0.0242,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.682000Z",
"spacegroup": 24
},
{
"id": "mp-672684",
"created_at": "2022-09-04T14:42:02.694768Z",
"structure_string": "Zn12 Sb10\n1.0\n5.551140 -6.129781 0.000000\n5.551140 6.129781 0.000000\n-1.217598 0.000000 8.179659\nZn Sb\n12 10\ndirect\n0.122902 0.131979 0.499737 Zn\n0.631979 0.622902 0.999737 Zn\n0.368021 0.377098 0.000263 Zn\n0.000263 0.368021 0.377098 Zn\n0.868021 0.500263 0.877098 Zn\n0.622902 0.999737 0.631979 Zn\n0.499737 0.122902 0.131979 Zn\n0.131979 0.499737 0.122902 Zn\n0.377098 0.000263 0.368021 Zn\n0.500263 0.877098 0.868021 Zn\n0.877098 0.868021 0.500263 Zn\n0.999737 0.631979 0.622902 Zn\n0.750000 0.120645 0.379355 Sb\n0.120645 0.379355 0.750000 Sb\n0.875346 0.875346 0.875346 Sb\n0.624654 0.624654 0.624654 Sb\n0.250000 0.879355 0.620645 Sb\n0.375346 0.375346 0.375346 Sb\n0.620645 0.250000 0.879355 Sb\n0.124654 0.124654 0.124654 Sb\n0.379355 0.750000 0.120645 Sb\n0.879355 0.620645 0.250000 Sb\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Zn",
"Sb"
],
"chemical_system": "Sb-Zn",
"density": 5.973529649699146,
"density_atomic": 0.03952122042623424,
"volume": 556.6629715057172,
"volume_molar": 15.237739864942265,
"formula_full": "Zn12 Sb10",
"formula_reduced": "Zn6Sb5",
"formula_anonymous": "A5B6",
"energy": -54.26117126,
"energy_per_atom": -2.4664168754545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.34117126000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0136909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.943000Z",
"spacegroup": 167
},
{
"id": "mp-1221206",
"created_at": "2022-09-04T14:42:20.885175Z",
"structure_string": "Na8 Ca4 Si2 As8\n1.0\n8.163937 4.760138 0.000000\n-8.163937 4.760138 0.000000\n0.000000 0.218800 7.162425\nNa Ca Si As\n8 4 2 8\ndirect\n0.475397 0.947474 0.385620 Na\n0.947474 0.475397 0.885620 Na\n0.859281 0.713446 0.184616 Na\n0.291765 0.139157 0.207140 Na\n0.848759 0.141582 0.197145 Na\n0.139157 0.291765 0.707140 Na\n0.713446 0.859281 0.684616 Na\n0.141582 0.848759 0.697145 Na\n0.048987 0.525944 0.383902 Ca\n0.479926 0.527458 0.382342 Ca\n0.525944 0.048987 0.883902 Ca\n0.527458 0.479926 0.882342 Ca\n0.663449 0.329986 0.499130 Si\n0.329986 0.663449 0.999130 Si\n0.199784 0.388271 0.120763 As\n0.610388 0.802498 0.092662 As\n0.198260 0.808474 0.104210 As\n0.802498 0.610388 0.592662 As\n0.388271 0.199784 0.620763 As\n0.808474 0.198260 0.604210 As\n0.662946 0.336616 0.162449 As\n0.336616 0.662946 0.662449 As\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Ca",
"Si",
"As"
],
"chemical_system": "As-Ca-Na-Si",
"density": 2.9822335027874347,
"density_atomic": 0.039519679122098514,
"volume": 556.684681877847,
"volume_molar": 15.238334150928253,
"formula_full": "Na8 Ca4 Si2 As8",
"formula_reduced": "Na4Ca2SiAs4",
"formula_anonymous": "AB2C4D4",
"energy": -81.77108766,
"energy_per_atom": -3.7168676209090914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.77108766,
"band_gap": 0.6318999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.500000Z",
"spacegroup": 9
},
{
"id": "mp-1245724",
"created_at": "2022-09-04T14:47:05.727477Z",
"structure_string": "Ba4 Ca2 N4\n1.0\n3.671970 0.000000 0.000000\n0.000000 6.027145 0.000000\n0.000000 0.000000 11.433548\nBa Ca N\n4 2 4\ndirect\n0.228090 0.250000 0.935840 Ba\n0.228090 0.250000 0.564160 Ba\n0.771910 0.750000 0.064160 Ba\n0.771910 0.750000 0.435840 Ba\n0.228927 0.250000 0.250000 Ca\n0.771073 0.750000 0.750000 Ca\n0.709105 0.250000 0.403186 N\n0.709105 0.250000 0.096814 N\n0.290895 0.750000 0.596814 N\n0.290895 0.750000 0.903186 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"N"
],
"chemical_system": "Ba-Ca-N",
"density": 4.4984090525006275,
"density_atomic": 0.039519206559123415,
"volume": 253.0415175476593,
"volume_molar": 15.238516367960145,
"formula_full": "Ba4 Ca2 N4",
"formula_reduced": "Ba2CaN2",
"formula_anonymous": "AB2C2",
"energy": -50.30390349,
"energy_per_atom": -5.030390349,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.85990349,
"band_gap": 0.2311,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.428000Z",
"spacegroup": 59
}
]
}