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=is_stable&page=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12185",
"results": [
{
"id": "mp-1213048",
"created_at": "2022-09-04T14:42:47.948446Z",
"structure_string": "Er4 As4 Se4\n1.0\n3.893993 0.000000 0.000000\n0.000000 3.913647 0.000000\n0.000000 0.000000 17.447173\nEr As Se\n4 4 4\ndirect\n0.750000 0.729295 0.639383 Er\n0.250000 0.270705 0.360617 Er\n0.750000 0.770705 0.139383 Er\n0.250000 0.229295 0.860617 Er\n0.250000 0.716328 0.997830 As\n0.750000 0.283672 0.002170 As\n0.250000 0.783672 0.497830 As\n0.750000 0.216328 0.502170 As\n0.750000 0.731020 0.812210 Se\n0.250000 0.268980 0.187790 Se\n0.750000 0.768980 0.312210 Se\n0.250000 0.231020 0.687790 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"As",
"Se"
],
"chemical_system": "As-Er-Se",
"density": 8.022365016183466,
"density_atomic": 0.04513145772186891,
"volume": 265.88992702057743,
"volume_molar": 13.343554726533705,
"formula_full": "Er4 As4 Se4",
"formula_reduced": "ErAsSe",
"formula_anonymous": "ABC",
"energy": -69.69665301,
"energy_per_atom": -5.8080544175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.80865301,
"band_gap": 0.4869000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.508000Z",
"spacegroup": 62
},
{
"id": "mp-1024969",
"created_at": "2022-09-04T14:42:52.028320Z",
"structure_string": "Np1 F5\n1.0\n-3.442370 3.442370 2.247939\n3.442370 -3.442370 2.247939\n3.442370 3.442370 -2.247939\nNp F\n1 5\ndirect\n0.000000 0.000000 0.000000 Np\n0.898427 0.274724 0.173151 F\n0.101573 0.725276 0.826849 F\n0.274724 0.101573 0.376297 F\n0.725276 0.898427 0.623703 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"F"
],
"chemical_system": "F-Np",
"density": 5.173889238151233,
"density_atomic": 0.05631079262983852,
"volume": 106.55151028402787,
"volume_molar": 10.694469885350056,
"formula_full": "Np1 F5",
"formula_reduced": "NpF5",
"formula_anonymous": "AB5",
"energy": -44.305693950000006,
"energy_per_atom": -7.384282325000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.99569395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.208000Z",
"spacegroup": 87
},
{
"id": "mp-865799",
"created_at": "2022-09-04T14:42:52.063560Z",
"structure_string": "Yb2 As1 Au1\n1.0\n0.000000 3.584656 3.584656\n3.584656 0.000000 3.584656\n3.584656 3.584656 0.000000\nYb As Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"As",
"Au"
],
"chemical_system": "As-Au-Yb",
"density": 11.13891146278576,
"density_atomic": 0.04341977216969232,
"volume": 92.12392880292593,
"volume_molar": 13.869581665385954,
"formula_full": "Yb2 As1 Au1",
"formula_reduced": "Yb2AsAu",
"formula_anonymous": "ABC2",
"energy": -15.34857181,
"energy_per_atom": -3.8371429525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.34857181,
"band_gap": 0.0514000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.717000Z",
"spacegroup": 225
},
{
"id": "mp-1227436",
"created_at": "2022-09-04T14:42:52.168543Z",
"structure_string": "Ca2 Ga7 Au1\n1.0\n4.269331 0.000000 0.000000\n0.000000 4.269331 0.000000\n0.000000 0.000000 11.290151\nCa Ga Au\n2 7 1\ndirect\n0.000000 0.000000 0.000554 Ca\n0.500000 0.500000 0.499630 Ca\n0.000000 0.500000 0.251293 Ga\n0.500000 0.000000 0.749169 Ga\n0.500000 0.000000 0.251293 Ga\n0.000000 0.500000 0.749169 Ga\n0.000000 0.000000 0.610433 Ga\n0.000000 0.000000 0.390215 Ga\n0.500000 0.500000 0.887428 Ga\n0.500000 0.500000 0.110817 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Au"
],
"chemical_system": "Au-Ca-Ga",
"density": 6.174408073398578,
"density_atomic": 0.04859377023624555,
"volume": 205.787695652829,
"volume_molar": 12.392824698973765,
"formula_full": "Ca2 Ga7 Au1",
"formula_reduced": "Ca2Ga7Au",
"formula_anonymous": "AB2C7",
"energy": -32.91206308,
"energy_per_atom": -3.2912063080000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.91206308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.112000Z",
"spacegroup": 99
},
{
"id": "mp-849221",
"created_at": "2022-09-04T14:42:47.470772Z",
"structure_string": "Li4 Mn8 P4 O24\n1.0\n5.182524 0.000000 0.000000\n0.000000 7.777736 0.000000\n0.000000 0.000000 11.841152\nLi Mn P O\n4 8 4 24\ndirect\n0.250000 0.016040 0.060462 Li\n0.750000 0.516040 0.439538 Li\n0.250000 0.483960 0.560462 Li\n0.750000 0.983960 0.939538 Li\n0.750000 0.289756 0.075156 Mn\n0.750000 0.687549 0.090044 Mn\n0.250000 0.187549 0.409956 Mn\n0.250000 0.789756 0.424844 Mn\n0.750000 0.210244 0.575156 Mn\n0.750000 0.812451 0.590044 Mn\n0.250000 0.312451 0.909956 Mn\n0.250000 0.710244 0.924844 Mn\n0.250000 0.470409 0.204739 P\n0.750000 0.970409 0.295261 P\n0.250000 0.029591 0.704739 P\n0.750000 0.529591 0.795261 P\n0.499399 0.820325 0.015176 O\n0.000601 0.820325 0.015176 O\n0.003679 0.486334 0.124145 O\n0.496321 0.486334 0.124145 O\n0.750000 0.115001 0.210066 O\n0.250000 0.287647 0.250046 O\n0.750000 0.787647 0.249954 O\n0.250000 0.615001 0.289934 O\n0.503679 0.986334 0.375855 O\n0.996321 0.986334 0.375855 O\n0.999399 0.320325 0.484824 O\n0.500601 0.320325 0.484824 O\n0.499399 0.679675 0.515176 O\n0.000601 0.679675 0.515176 O\n0.003679 0.013666 0.624145 O\n0.496321 0.013666 0.624145 O\n0.750000 0.384999 0.710066 O\n0.250000 0.212353 0.750046 O\n0.750000 0.712353 0.749954 O\n0.250000 0.884999 0.789934 O\n0.503679 0.513666 0.875855 O\n0.996321 0.513666 0.875855 O\n0.999399 0.179675 0.984824 O\n0.500601 0.179675 0.984824 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.3925917761783757,
"density_atomic": 0.08380530588377522,
"volume": 477.2967484358772,
"volume_molar": 7.1858705084279055,
"formula_full": "Li4 Mn8 P4 O24",
"formula_reduced": "LiMn2PO6",
"formula_anonymous": "ABC2D6",
"energy": -312.76132106,
"energy_per_atom": -7.8190330265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.92932106,
"band_gap": 0.6399000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0031576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.088000Z",
"spacegroup": 62
},
{
"id": "mp-27227",
"created_at": "2022-09-04T14:42:47.474015Z",
"structure_string": "Li2 Ag6 O4\n1.0\n-2.884256 3.036606 5.038819\n2.884256 -3.036606 5.038819\n2.884256 3.036606 -5.038819\nLi Ag O\n2 6 4\ndirect\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.221922 0.903766 0.318156 O\n0.585609 0.403766 0.181844 O\n0.778078 0.096234 0.681844 O\n0.414391 0.596234 0.818156 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O",
"density": 6.820705436125221,
"density_atomic": 0.06797829159634737,
"volume": 176.52694291371083,
"volume_molar": 8.858917484657093,
"formula_full": "Li2 Ag6 O4",
"formula_reduced": "LiAg3O2",
"formula_anonymous": "AB2C3",
"energy": -50.32604702,
"energy_per_atom": -4.193837251666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.57804702,
"band_gap": 0.994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.489000Z",
"spacegroup": 72
},
{
"id": "mp-25316",
"created_at": "2022-09-04T14:42:47.475359Z",
"structure_string": "Li1 Ni1 O2\n1.0\n-1.347508 1.648553 5.064941\n1.347508 -1.648553 5.064941\n1.347508 1.648553 -5.064941\nLi Ni O\n1 1 2\ndirect\n0.771753 0.271753 0.500000 Li\n0.507275 0.007275 0.500000 Ni\n0.383619 0.383619 0.000000 O\n0.630353 0.630353 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 3.6022841981495453,
"density_atomic": 0.08887740033626713,
"volume": 45.00581683156824,
"volume_molar": 6.775784099462029,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy": -22.48095487,
"energy_per_atom": -5.6202387175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.56595487,
"band_gap": 0.3277999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.861000Z",
"spacegroup": 44
},
{
"id": "mp-556845",
"created_at": "2022-09-04T14:42:47.479224Z",
"structure_string": "C4 I4 F12\n1.0\n2.978432 -3.952425 0.000000\n2.978432 3.952425 0.000000\n0.000000 0.000000 19.876594\nC I F\n4 4 12\ndirect\n0.812344 0.812344 0.407328 C\n0.187656 0.187656 0.592672 C\n0.312344 0.312344 0.092672 C\n0.687656 0.687656 0.907328 C\n0.107616 0.107616 0.183273 I\n0.392384 0.392384 0.683273 I\n0.607616 0.607615 0.316727 I\n0.892385 0.892384 0.816727 I\n0.092496 0.369482 0.555159 F\n0.869482 0.592496 0.944841 F\n0.466681 0.466681 0.891482 F\n0.033319 0.033319 0.391482 F\n0.592496 0.869482 0.944841 F\n0.630518 0.907504 0.444841 F\n0.966681 0.966681 0.608518 F\n0.533319 0.533319 0.108518 F\n0.407504 0.130518 0.055159 F\n0.130518 0.407504 0.055159 F\n0.369482 0.092496 0.555159 F\n0.907504 0.630518 0.444841 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"C",
"I",
"F"
],
"chemical_system": "C-F-I",
"density": 2.780630265280026,
"density_atomic": 0.042737263076640206,
"volume": 467.9756858583632,
"volume_molar": 14.091077262483022,
"formula_full": "C4 I4 F12",
"formula_reduced": "CIF3",
"formula_anonymous": "ABC3",
"energy": -96.93717635,
"energy_per_atom": -4.8468588175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.87717634999998,
"band_gap": 3.725,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0326025,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.938000Z",
"spacegroup": 64
},
{
"id": "mp-770404",
"created_at": "2022-09-04T14:42:47.484325Z",
"structure_string": "Li8 V4 Si2 P4 O24\n1.0\n4.516842 7.175226 0.000000\n-4.516842 7.175226 0.000000\n0.000000 4.385587 7.271650\nLi V Si P O\n8 4 2 4 24\ndirect\n0.253780 0.161389 0.090143 Li\n0.168110 0.261435 0.593162 Li\n0.997883 0.498483 0.239659 Li\n0.657894 0.342106 0.500000 Li\n0.338678 0.661322 0.000000 Li\n0.838611 0.746220 0.909857 Li\n0.501517 0.002117 0.760341 Li\n0.738565 0.831890 0.406838 Li\n0.642438 0.139963 0.891037 V\n0.145324 0.641162 0.390031 V\n0.860037 0.357562 0.108963 V\n0.358838 0.854676 0.609969 V\n0.250937 0.453189 0.795067 Si\n0.546811 0.749063 0.204933 Si\n0.955038 0.044962 0.500000 P\n0.448999 0.249517 0.295557 P\n0.045569 0.954431 0.000000 P\n0.750483 0.551001 0.704443 P\n0.113670 0.016735 0.559920 O\n0.010217 0.110196 0.069134 O\n0.093537 0.421921 0.999776 O\n0.415337 0.253504 0.813098 O\n0.305173 0.626043 0.771154 O\n0.195208 0.481000 0.621272 O\n0.762842 0.067087 0.651513 O\n0.428048 0.101360 0.490549 O\n0.259733 0.403396 0.309147 O\n0.611352 0.311001 0.260523 O\n0.479684 0.179797 0.142337 O\n0.932913 0.237158 0.348487 O\n0.060134 0.762408 0.151543 O\n0.519000 0.804792 0.378728 O\n0.373957 0.694827 0.228846 O\n0.746496 0.584663 0.186902 O\n0.578079 0.906463 0.000224 O\n0.237592 0.939866 0.848457 O\n0.820203 0.520316 0.857663 O\n0.688998 0.388648 0.739477 O\n0.596604 0.740267 0.690853 O\n0.898640 0.571952 0.509451 O\n0.983265 0.886330 0.440080 O\n0.889804 0.989783 0.930866 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"Li",
"V",
"Si",
"P",
"O"
],
"chemical_system": "Li-O-P-Si-V",
"density": 2.9006668056111184,
"density_atomic": 0.08910782509000728,
"volume": 471.3390766476014,
"volume_molar": 6.758262536334011,
"formula_full": "Li8 V4 Si2 P4 O24",
"formula_reduced": "Li4V2Si(PO6)2",
"formula_anonymous": "AB2C2D4E12",
"energy": -316.41386463000003,
"energy_per_atom": -7.533663443571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.12586463,
"band_gap": 1.8049,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.842000Z",
"spacegroup": 5
},
{
"id": "mp-505473",
"created_at": "2022-09-04T14:42:47.488301Z",
"structure_string": "Al1 Ni20 B14\n1.0\n0.000000 5.328554 5.328554\n5.328554 0.000000 5.328554\n5.328554 5.328554 0.000000\nAl Ni B\n1 20 14\ndirect\n0.000000 0.000000 0.000000 Al\n0.334157 0.665843 0.000000 Ni\n0.000000 0.665843 0.334157 Ni\n0.334157 0.000000 0.000000 Ni\n0.000000 0.000000 0.665843 Ni\n0.000000 0.000000 0.334157 Ni\n0.000000 0.665843 0.000000 Ni\n0.334157 0.000000 0.665843 Ni\n0.665843 0.000000 0.000000 Ni\n0.000000 0.334157 0.000000 Ni\n0.665843 0.000000 0.334157 Ni\n0.000000 0.334157 0.665843 Ni\n0.665843 0.334157 0.000000 Ni\n0.378548 0.864355 0.378548 Ni\n0.621452 0.621452 0.135645 Ni\n0.135645 0.621452 0.621452 Ni\n0.621452 0.621452 0.621452 Ni\n0.864355 0.378548 0.378548 Ni\n0.378548 0.378548 0.378548 Ni\n0.378548 0.378548 0.864355 Ni\n0.621452 0.135645 0.621452 Ni\n0.276204 0.276204 0.723796 B\n0.276204 0.723796 0.723796 B\n0.723796 0.276204 0.276204 B\n0.276204 0.723796 0.276204 B\n0.723796 0.276204 0.723796 B\n0.723796 0.723796 0.276204 B\n0.810130 0.569609 0.810130 B\n0.189870 0.189870 0.430391 B\n0.430391 0.189870 0.189870 B\n0.189870 0.189870 0.189870 B\n0.569609 0.810130 0.810130 B\n0.810130 0.810130 0.810130 B\n0.810130 0.810130 0.569609 B\n0.189870 0.430391 0.189870 B\n",
"nsites": 35,
"nelements": 3,
"elements": [
"Al",
"Ni",
"B"
],
"chemical_system": "Al-B-Ni",
"density": 7.420498061713772,
"density_atomic": 0.11566712334246708,
"volume": 302.5924652450467,
"volume_molar": 5.206441196060227,
"formula_full": "Al1 Ni20 B14",
"formula_reduced": "Al(Ni10B7)2",
"formula_anonymous": "AB14C20",
"energy": -222.64862564,
"energy_per_atom": -6.361389304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.64862564,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0829882,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.140000Z",
"spacegroup": 225
},
{
"id": "mp-541637",
"created_at": "2022-09-04T14:42:47.562118Z",
"structure_string": "Er4 I5\n1.0\n1.966369 9.257746 0.000000\n-1.966369 9.257746 0.000000\n0.000000 2.069144 8.504830\nEr I\n4 5\ndirect\n0.000395 0.000395 0.196064 Er\n0.999605 0.999605 0.803936 Er\n0.633473 0.633473 0.932523 Er\n0.366527 0.366527 0.067477 Er\n0.167899 0.167899 0.653492 I\n0.832101 0.832101 0.346508 I\n0.174586 0.174586 0.175246 I\n0.825414 0.825414 0.824754 I\n0.500000 0.500000 0.500000 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Er",
"I"
],
"chemical_system": "Er-I",
"density": 6.990587250843553,
"density_atomic": 0.02906541958077337,
"volume": 309.64631269088767,
"volume_molar": 20.719263120438885,
"formula_full": "Er4 I5",
"formula_reduced": "Er4I5",
"formula_anonymous": "A4B5",
"energy": -36.12165927,
"energy_per_atom": -4.013517696666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.22665927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9955755,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.963000Z",
"spacegroup": 12
},
{
"id": "mp-11157",
"created_at": "2022-09-04T14:42:47.636147Z",
"structure_string": "Sm3 Mg3 Ga3\n1.0\n3.704771 -6.416852 0.000000\n3.704771 6.416852 0.000000\n0.000000 0.000000 4.501546\nSm Mg Ga\n3 3 3\ndirect\n0.000000 0.576263 0.000000 Sm\n0.423737 0.423737 0.000000 Sm\n0.576263 0.000000 0.000000 Sm\n0.000000 0.243311 0.500000 Mg\n0.756689 0.756689 0.500000 Mg\n0.243311 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Sm",
"density": 5.688203826672557,
"density_atomic": 0.04205013846133685,
"volume": 214.03021082261316,
"volume_molar": 14.321333960736132,
"formula_full": "Sm3 Mg3 Ga3",
"formula_reduced": "SmMgGa",
"formula_anonymous": "ABC",
"energy": -32.50614857,
"energy_per_atom": -3.611794285555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.50614857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.893000Z",
"spacegroup": 189
}
]
}