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=updated_at&page=10152",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=10150",
"results": [
{
"id": "mp-567772",
"created_at": "2022-09-04T14:46:58.305781Z",
"structure_string": "Na8\n1.0\n-4.193878 4.193878 4.193878\n4.193878 -4.193878 4.193878\n4.193878 4.193878 -4.193878\nNa\n8\ndirect\n0.500000 0.000000 0.446984 Na\n0.446984 0.500000 0.000000 Na\n0.000000 0.946984 0.500000 Na\n0.946984 0.500000 0.000000 Na\n0.000000 0.446984 0.500000 Na\n0.500000 0.000000 0.946984 Na\n0.553016 0.553016 0.553016 Na\n0.053016 0.053016 0.053016 Na\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.035061912263127,
"density_atomic": 0.027113314871498408,
"volume": 295.0579830579706,
"volume_molar": 22.21100882920993,
"formula_full": "Na8",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -10.47637763,
"energy_per_atom": -1.30954720375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.47637763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.918000Z",
"spacegroup": 220
},
{
"id": "mp-1019743",
"created_at": "2022-09-04T14:47:02.415533Z",
"structure_string": "Ga3 B1 N4\n1.0\n4.310381 0.000000 0.000000\n0.000000 4.310381 0.000000\n0.000000 0.000000 4.310381\nGa B N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 B\n0.779568 0.779568 0.220432 N\n0.779568 0.220432 0.779568 N\n0.220432 0.779568 0.779568 N\n0.220432 0.220432 0.220432 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"B",
"N"
],
"chemical_system": "B-Ga-N",
"density": 5.722975679555642,
"density_atomic": 0.09989482902667891,
"volume": 80.08422535928702,
"volume_molar": 6.028480972114851,
"formula_full": "Ga3 B1 N4",
"formula_reduced": "Ga3BN4",
"formula_anonymous": "AB3C4",
"energy": -54.18540911,
"energy_per_atom": -6.77317613875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.74140911,
"band_gap": 2.3955,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.919000Z",
"spacegroup": 215
},
{
"id": "mp-1357736",
"created_at": "2022-09-04T14:46:56.524896Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.388555 0.000000 0.000000\n-4.151880 7.324636 0.000000\n-0.057044 -4.824294 7.873521\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.380825 0.321558 0.874004 Li\n0.816102 0.077834 0.863618 Li\n0.196268 0.751213 0.625288 Li\n0.803732 0.248787 0.374712 Li\n0.183898 0.922166 0.136382 Li\n0.619175 0.678442 0.125996 Li\n0.705511 0.849470 0.434767 Mn\n0.294489 0.150530 0.565233 Mn\n0.689016 0.347667 0.966927 V\n0.310984 0.652333 0.033073 V\n0.195355 0.465459 0.755498 P\n0.787679 0.738754 0.752648 P\n0.503798 0.051172 0.759465 P\n0.496202 0.948828 0.240535 P\n0.212321 0.261246 0.247352 P\n0.804645 0.534541 0.244502 P\n0.284953 0.496402 0.878315 O\n0.121754 0.261356 0.747107 O\n0.999382 0.486767 0.829799 O\n0.686841 0.517946 0.829802 O\n0.643004 0.790271 0.900526 O\n0.336169 0.845002 0.896948 O\n0.362816 0.625611 0.587001 O\n0.012764 0.854160 0.726407 O\n0.777421 0.763796 0.597435 O\n0.660934 0.172861 0.820792 O\n0.374989 0.132591 0.764135 O\n0.626899 0.036199 0.585414 O\n0.373101 0.963801 0.414586 O\n0.625011 0.867409 0.235865 O\n0.339066 0.827139 0.179208 O\n0.222579 0.236204 0.402565 O\n0.987236 0.145840 0.273593 O\n0.637184 0.374389 0.412999 O\n0.663831 0.154998 0.103052 O\n0.356996 0.209729 0.099474 O\n0.313159 0.482054 0.170198 O\n0.000618 0.513233 0.170201 O\n0.878246 0.738644 0.252893 O\n0.715047 0.503598 0.121685 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8257244743501695,
"density_atomic": 0.0826832992537389,
"volume": 483.77363217265685,
"volume_molar": 7.28338227230051,
"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -161.06854873999998,
"energy_per_atom": -4.0267137185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.17254874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0006676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.920000Z",
"spacegroup": 2
},
{
"id": "mp-1018953",
"created_at": "2022-09-04T14:46:55.728620Z",
"structure_string": "Pu2 Sb2 Te2\n1.0\n4.335393 0.000000 0.000000\n0.000000 4.335393 0.000000\n0.000000 0.000000 9.020272\nPu Sb Te\n2 2 2\ndirect\n0.000000 0.500000 0.720614 Pu\n0.500000 0.000000 0.279386 Pu\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.361781 Te\n0.500000 0.000000 0.638219 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pu",
"Sb",
"Te"
],
"chemical_system": "Pu-Sb-Te",
"density": 9.664212056216197,
"density_atomic": 0.03538952004041798,
"volume": 169.54171724136032,
"volume_molar": 17.01673476532651,
"formula_full": "Pu2 Sb2 Te2",
"formula_reduced": "PuSbTe",
"formula_anonymous": "ABC",
"energy": -49.44695508,
"energy_per_atom": -8.24115918,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.21895508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0245232,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.921000Z",
"spacegroup": 129
},
{
"id": "mp-20804",
"created_at": "2022-09-04T14:46:42.236787Z",
"structure_string": "Rb2 In4 Au8\n1.0\n-4.531655 4.531655 4.218008\n4.531655 -4.531655 4.218008\n4.531655 4.531655 -4.218008\nRb In Au\n2 4 8\ndirect\n0.750000 0.750000 0.000000 Rb\n0.250000 0.250000 0.000000 Rb\n0.858597 0.358597 0.217194 In\n0.358597 0.141403 0.500000 In\n0.641403 0.858597 0.500000 In\n0.141403 0.641403 0.782806 In\n0.682637 0.487155 0.500000 Au\n0.487155 0.987155 0.804519 Au\n0.987155 0.182637 0.500000 Au\n0.182637 0.682637 0.195481 Au\n0.512845 0.012845 0.195481 Au\n0.012845 0.817363 0.500000 Au\n0.317363 0.512845 0.500000 Au\n0.817363 0.317363 0.804519 Au\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"In",
"Au"
],
"chemical_system": "Au-In-Rb",
"density": 10.572111978608776,
"density_atomic": 0.04040610304042937,
"volume": 346.4823119911351,
"volume_molar": 14.904037526148938,
"formula_full": "Rb2 In4 Au8",
"formula_reduced": "Rb(InAu2)2",
"formula_anonymous": "AB2C4",
"energy": -42.89202523,
"energy_per_atom": -3.063716087857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.89202523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.921000Z",
"spacegroup": 140
},
{
"id": "mp-1185717",
"created_at": "2022-09-04T14:46:56.373447Z",
"structure_string": "Mg16 Al12 W1\n1.0\n7.711180 -4.452052 3.148076\n-0.157324 8.449949 2.891168\n-7.396533 -4.088729 2.891168\nMg Al W\n16 12 1\ndirect\n0.991928 0.999999 0.999999 Mg\n0.008665 0.359292 0.000000 Mg\n0.582369 0.280813 0.000000 Mg\n0.318862 0.605431 0.000000 Mg\n0.680625 0.678042 0.277654 Mg\n0.582370 0.000000 0.280813 Mg\n0.002583 0.599611 0.321958 Mg\n0.008665 0.999999 0.359292 Mg\n0.713432 0.394570 0.394570 Mg\n0.402972 0.722348 0.400391 Mg\n0.002582 0.321958 0.599611 Mg\n0.318862 0.000000 0.605430 Mg\n0.649371 0.640706 0.640706 Mg\n0.680625 0.277654 0.678042 Mg\n0.301556 0.719186 0.719187 Mg\n0.402972 0.400390 0.722349 Mg\n0.646666 0.807926 0.999999 Al\n0.813001 0.619109 0.000000 Al\n0.367544 0.363222 0.181889 Al\n0.185654 0.818111 0.181334 Al\n0.838740 0.192073 0.192074 Al\n0.367544 0.181889 0.363222 Al\n0.193891 0.380892 0.380891 Al\n0.813000 0.000001 0.619109 Al\n0.004322 0.818667 0.636779 Al\n0.646666 0.000000 0.807926 Al\n0.004323 0.636779 0.818667 Al\n0.185655 0.181334 0.818111 Al\n0.284559 0.000001 0.000000 W\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"W"
],
"chemical_system": "Al-Mg-W",
"density": 2.6048368683103145,
"density_atomic": 0.050743437148758196,
"volume": 571.5024765662665,
"volume_molar": 11.867821926105721,
"formula_full": "Mg16 Al12 W1",
"formula_reduced": "Mg16Al12W",
"formula_anonymous": "AB12C16",
"energy": -82.56651434,
"energy_per_atom": -2.847121184137931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.56651434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.922000Z",
"spacegroup": 160
},
{
"id": "mp-771156",
"created_at": "2022-09-04T14:46:59.991445Z",
"structure_string": "Li5 Nb2 Ni5 O12\n1.0\n4.572225 2.563233 0.000000\n-4.572225 2.563233 0.000000\n0.000000 2.042077 9.822595\nLi Nb Ni O\n5 2 5 12\ndirect\n0.817838 0.681549 0.254673 Li\n0.683285 0.825547 0.744643 Li\n0.318451 0.182162 0.745327 Li\n0.174453 0.316715 0.255357 Li\n0.078388 0.921612 0.500000 Li\n0.746522 0.253478 0.500000 Nb\n0.252678 0.747322 0.000000 Nb\n0.922021 0.077979 0.000000 Ni\n0.003870 0.506862 0.746997 Ni\n0.493138 0.996130 0.253003 Ni\n0.582871 0.417129 0.000000 Ni\n0.417336 0.582664 0.500000 Ni\n0.029219 0.221548 0.620842 O\n0.778452 0.970781 0.379158 O\n0.878520 0.373859 0.117763 O\n0.626141 0.121480 0.882237 O\n0.708659 0.527307 0.619129 O\n0.472693 0.291341 0.380871 O\n0.538309 0.707390 0.123302 O\n0.292610 0.461691 0.876698 O\n0.386357 0.880312 0.619623 O\n0.119688 0.613643 0.380377 O\n0.211739 0.033239 0.124083 O\n0.966761 0.788261 0.875917 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Ni",
"O"
],
"chemical_system": "Li-Nb-Ni-O",
"density": 5.091761831656596,
"density_atomic": 0.10424118231937465,
"volume": 230.23530111610478,
"volume_molar": 5.777122463509034,
"formula_full": "Li5 Nb2 Ni5 O12",
"formula_reduced": "Li5Nb2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy": -166.362818,
"energy_per_atom": -6.9317840833333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.413818,
"band_gap": 0.0166000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9799827,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.929000Z",
"spacegroup": 5
},
{
"id": "mp-1217346",
"created_at": "2022-09-04T14:47:05.193151Z",
"structure_string": "Ti3 Cr17 Si12\n1.0\n0.000000 0.000000 4.637247\n-4.586940 4.586940 -2.318623\n-9.176970 -9.176970 0.000000\nTi Cr Si\n3 17 12\ndirect\n0.999714 0.500000 0.750000 Ti\n0.999364 0.500000 0.250000 Ti\n0.499626 0.500000 0.750000 Ti\n0.924471 0.844341 0.350060 Cr\n0.422068 0.844625 0.852370 Cr\n0.580130 0.155659 0.149940 Cr\n0.077442 0.155375 0.647630 Cr\n0.146516 0.296516 0.078909 Cr\n0.647832 0.296020 0.576263 Cr\n0.350000 0.703484 0.421091 Cr\n0.851812 0.703980 0.923737 Cr\n0.350000 0.703484 0.078909 Cr\n0.851812 0.703980 0.576263 Cr\n0.146516 0.296516 0.421091 Cr\n0.647832 0.296020 0.923737 Cr\n0.580130 0.155659 0.350060 Cr\n0.077442 0.155375 0.852370 Cr\n0.924471 0.844341 0.149940 Cr\n0.422068 0.844625 0.647630 Cr\n0.500600 0.500000 0.250000 Cr\n0.250313 0.000747 0.000664 Si\n0.749566 0.999253 0.499336 Si\n0.749566 0.999253 0.000664 Si\n0.250313 0.000747 0.499336 Si\n0.741167 0.500000 0.077936 Si\n0.248504 0.500000 0.574533 Si\n0.741167 0.500000 0.422064 Si\n0.248504 0.500000 0.925467 Si\n0.432969 0.845085 0.250000 Si\n0.925105 0.850011 0.750000 Si\n0.087883 0.154915 0.250000 Si\n0.575094 0.149989 0.750000 Si\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Ti",
"density": 5.804026154281149,
"density_atomic": 0.08196668712591579,
"volume": 390.4025052377945,
"volume_molar": 7.347058873745738,
"formula_full": "Ti3 Cr17 Si12",
"formula_reduced": "Ti3Cr17Si12",
"formula_anonymous": "A3B12C17",
"energy": -262.52560165,
"energy_per_atom": -8.2039250515625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.37760165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4195785,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.931000Z",
"spacegroup": 38
},
{
"id": "mp-1183051",
"created_at": "2022-09-04T14:46:55.357850Z",
"structure_string": "Ac2 La6\n1.0\n3.819021 -6.614738 0.000000\n3.819021 6.614738 0.000000\n0.000000 0.000000 6.257784\nAc La\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.163489 0.326978 0.250000 La\n0.673022 0.836511 0.250000 La\n0.163489 0.836511 0.250000 La\n0.836511 0.673022 0.750000 La\n0.326978 0.163489 0.750000 La\n0.836511 0.163489 0.750000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 6.761739198395909,
"density_atomic": 0.025303158109156638,
"volume": 316.16606770934976,
"volume_molar": 23.799957041017436,
"formula_full": "Ac2 La6",
"formula_reduced": "AcLa3",
"formula_anonymous": "AB3",
"energy": -37.43266397,
"energy_per_atom": -4.67908299625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.43266397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1515649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.931000Z",
"spacegroup": 194
},
{
"id": "mp-545539",
"created_at": "2022-09-04T14:47:02.823237Z",
"structure_string": "Pr2 Bi1 O2\n1.0\n-2.029645 2.029645 7.084608\n2.029645 -2.029645 7.084608\n2.029645 2.029645 -7.084608\nPr Bi O\n2 1 2\ndirect\n0.334567 0.334567 0.000000 Pr\n0.665433 0.665433 0.000000 Pr\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Pr",
"density": 7.436423668701422,
"density_atomic": 0.04283058649181627,
"volume": 116.73900381810928,
"volume_molar": 14.060374263496632,
"formula_full": "Pr2 Bi1 O2",
"formula_reduced": "Pr2BiO2",
"formula_anonymous": "AB2C2",
"energy": -37.4922418,
"energy_per_atom": -7.49844836,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.1182418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003232,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.948000Z",
"spacegroup": 139
},
{
"id": "mp-1023076",
"created_at": "2022-09-04T14:46:51.847182Z",
"structure_string": "Rb2 Mg12 Mn2\n1.0\n5.047298 0.000000 0.000000\n0.000000 6.619425 0.000000\n0.000000 0.000000 12.113575\nRb Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.171005 Rb\n0.500000 0.000000 0.671005 Rb\n0.000000 0.780546 0.060728 Mg\n0.000000 0.219454 0.060728 Mg\n0.000000 0.000000 0.333843 Mg\n0.500000 0.275999 0.411551 Mg\n0.500000 0.724001 0.411551 Mg\n0.500000 0.000000 0.174517 Mg\n0.000000 0.280546 0.560728 Mg\n0.000000 0.719454 0.560728 Mg\n0.000000 0.500000 0.833843 Mg\n0.500000 0.775999 0.911551 Mg\n0.500000 0.224001 0.911551 Mg\n0.500000 0.500000 0.674517 Mg\n0.000000 0.500000 0.376076 Mn\n0.000000 0.000000 0.876076 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Rb",
"density": 2.3488299009366385,
"density_atomic": 0.03953378875975648,
"volume": 404.71709142856656,
"volume_molar": 15.23289557850386,
"formula_full": "Rb2 Mg12 Mn2",
"formula_reduced": "RbMg6Mn",
"formula_anonymous": "ABC6",
"energy": -33.11501758,
"energy_per_atom": -2.06968859875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.11501758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.340394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.951000Z",
"spacegroup": 38
},
{
"id": "mp-1226031",
"created_at": "2022-09-04T14:47:00.532060Z",
"structure_string": "Cr5 Ni1 As3\n1.0\n0.000000 0.000000 -3.648215\n-6.393224 0.064215 0.000000\n-3.252224 5.504587 0.000000\nCr Ni As\n5 1 3\ndirect\n0.500000 0.598292 0.401708 Cr\n0.500000 0.405358 0.008485 Cr\n0.500000 0.991515 0.594642 Cr\n0.000000 0.750360 0.002634 Cr\n0.000000 0.997366 0.249640 Cr\n0.000000 0.254793 0.745207 Ni\n0.000000 0.328747 0.340140 As\n0.000000 0.659860 0.671253 As\n0.500000 0.013609 0.986391 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cr",
"Ni",
"As"
],
"chemical_system": "As-Cr-Ni",
"density": 7.070652636834878,
"density_atomic": 0.07051838397397854,
"volume": 127.62629392246173,
"volume_molar": 8.539816740868856,
"formula_full": "Cr5 Ni1 As3",
"formula_reduced": "Cr5NiAs3",
"formula_anonymous": "AB3C5",
"energy": -68.63683218,
"energy_per_atom": -7.6263146866666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.63683218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3415937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.952000Z",
"spacegroup": 38
}
]
}