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=id&page=10219",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=10217",
"results": [
{
"id": "mp-754156",
"created_at": "2022-09-04T14:45:08.467022Z",
"structure_string": "Mn3 Sb1 O8\n1.0\n5.159738 -3.039668 0.000000\n5.159738 3.039668 0.000000\n3.369030 0.000000 4.950971\nMn Sb O\n3 1 8\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.273094 0.273094 0.273094 O\n0.765293 0.765293 0.264287 O\n0.264287 0.765293 0.765293 O\n0.726906 0.726906 0.726906 O\n0.765293 0.264287 0.765293 O\n0.234707 0.234707 0.735713 O\n0.735713 0.234707 0.234707 O\n0.234707 0.735713 0.234707 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 4.4327383089271954,
"density_atomic": 0.0772693158055089,
"volume": 155.30097393646733,
"volume_molar": 7.793702710087479,
"formula_full": "Mn3 Sb1 O8",
"formula_reduced": "Mn3SbO8",
"formula_anonymous": "AB3C8",
"energy": -92.44697847,
"energy_per_atom": -7.7039148725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.94697847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0004064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.220000Z",
"spacegroup": 166
},
{
"id": "mp-754157",
"created_at": "2022-09-04T14:47:12.442126Z",
"structure_string": "Al2 In2 O6\n1.0\n1.641910 -2.843872 0.000000\n1.641910 2.843872 0.000000\n0.000000 0.000000 12.023484\nAl In O\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.407799 O\n0.666667 0.333333 0.092201 O\n0.333333 0.666667 0.592201 O\n0.333333 0.666667 0.907799 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"In",
"O"
],
"chemical_system": "Al-In-O",
"density": 5.613715616053324,
"density_atomic": 0.08905950589172633,
"volume": 112.28447654040943,
"volume_molar": 6.761929228892634,
"formula_full": "Al2 In2 O6",
"formula_reduced": "AlInO3",
"formula_anonymous": "ABC3",
"energy": -69.45375648,
"energy_per_atom": -6.945375648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.33175648,
"band_gap": 2.162,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.901000Z",
"spacegroup": 194
},
{
"id": "mp-754158",
"created_at": "2022-09-04T14:40:11.451868Z",
"structure_string": "K1 Nd1 O2\n1.0\n6.378848 -1.823888 0.000000\n6.378848 1.823888 0.000000\n5.857348 0.000000 3.115725\nK Nd O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Nd\n0.230271 0.230271 0.230271 O\n0.769729 0.769729 0.769729 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Nd",
"O"
],
"chemical_system": "K-Nd-O",
"density": 4.93222019236759,
"density_atomic": 0.05517349012421147,
"volume": 72.49858566124499,
"volume_molar": 10.914917193823376,
"formula_full": "K1 Nd1 O2",
"formula_reduced": "KNdO2",
"formula_anonymous": "ABC2",
"energy": -27.59612102,
"energy_per_atom": -6.899030255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.22212102,
"band_gap": 3.7088,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.877000Z",
"spacegroup": 166
},
{
"id": "mp-754159",
"created_at": "2022-09-04T14:47:09.608524Z",
"structure_string": "Na4 Mn2 S4 O16\n1.0\n5.111029 4.119033 -0.136434\n-5.111005 4.119006 0.136437\n-3.897910 -0.000008 8.070180\nNa Mn S O\n4 2 4 16\ndirect\n0.309228 0.587961 0.559491 Na\n0.587961 0.309211 0.940520 Na\n0.412076 0.690840 0.059484 Na\n0.690839 0.412082 0.440531 Na\n0.078988 0.079049 0.250004 Mn\n0.920720 0.920725 0.749981 Mn\n0.024073 0.396827 0.820322 S\n0.603145 0.975972 0.320323 S\n0.396831 0.024074 0.679680 S\n0.975975 0.603150 0.179673 S\n0.285191 0.974292 0.810624 O\n0.025769 0.714715 0.310677 O\n0.974299 0.285203 0.689367 O\n0.714729 0.025755 0.189325 O\n0.239608 0.960190 0.532495 O\n0.039868 0.760449 0.032527 O\n0.960174 0.239600 0.967494 O\n0.760456 0.039872 0.467471 O\n0.261269 0.473796 0.866558 O\n0.526260 0.738761 0.366582 O\n0.473810 0.261268 0.633457 O\n0.738762 0.526252 0.133420 O\n0.585316 0.887474 0.755325 O\n0.112525 0.414640 0.255260 O\n0.887479 0.585321 0.744675 O\n0.414648 0.112521 0.244733 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-Na-O-S",
"density": 2.9015609205317956,
"density_atomic": 0.07751663598467014,
"volume": 335.41187217079204,
"volume_molar": 7.768836564567832,
"formula_full": "Na4 Mn2 S4 O16",
"formula_reduced": "Na2Mn(SO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -174.91027617,
"energy_per_atom": -6.72731831423077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.58227617,
"band_gap": 4.376,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.408000Z",
"spacegroup": 15
},
{
"id": "mp-754160",
"created_at": "2022-09-04T14:47:06.526736Z",
"structure_string": "Sc4 Cr4 O16\n1.0\n2.846598 4.287588 0.003134\n-8.535488 4.284732 -0.005472\n0.005045 0.001533 6.632418\nSc Cr O\n4 4 16\ndirect\n0.001985 0.000195 0.998913 Sc\n0.497750 0.502030 0.999436 Sc\n0.002738 0.998669 0.499908 Sc\n0.500744 0.499944 0.501505 Sc\n0.035869 0.678657 0.249938 Cr\n0.468928 0.823120 0.749895 Cr\n0.538669 0.179451 0.249715 Cr\n0.961882 0.320355 0.750373 Cr\n0.660442 0.391864 0.751942 O\n0.163048 0.896226 0.750797 O\n0.582240 0.365973 0.248667 O\n0.076021 0.866514 0.247584 O\n0.840120 0.107705 0.250732 O\n0.337554 0.605273 0.253425 O\n0.916068 0.133297 0.748317 O\n0.428078 0.634117 0.749129 O\n0.358437 0.119346 0.048407 O\n0.858980 0.624575 0.045593 O\n0.358911 0.117892 0.450482 O\n0.866116 0.618826 0.455176 O\n0.143024 0.379853 0.549398 O\n0.632328 0.875513 0.539712 O\n0.140346 0.381953 0.951292 O\n0.629721 0.878651 0.959664 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sc",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sc",
"density": 3.303428049730581,
"density_atomic": 0.0741612550624279,
"volume": 323.6191186327299,
"volume_molar": 8.120332854305992,
"formula_full": "Sc4 Cr4 O16",
"formula_reduced": "ScCrO4",
"formula_anonymous": "ABC4",
"energy": -206.01373446,
"energy_per_atom": -8.5839056025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.02573446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0005455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.878000Z",
"spacegroup": 63
},
{
"id": "mp-754161",
"created_at": "2022-09-04T14:39:24.214344Z",
"structure_string": "Rb6 Ho2 O6\n1.0\n6.239075 3.865767 0.000000\n-6.239075 3.865767 0.000000\n0.000000 1.161726 7.199215\nRb Ho O\n6 2 6\ndirect\n0.637060 0.637060 0.643031 Rb\n0.206055 0.793945 0.500000 Rb\n0.793945 0.206055 0.500000 Rb\n0.739461 0.260539 0.000000 Rb\n0.260539 0.739461 0.000000 Rb\n0.362940 0.362940 0.356969 Rb\n0.823069 0.823069 0.148847 Ho\n0.176931 0.176931 0.851153 Ho\n0.897787 0.897787 0.845723 O\n0.831353 0.555200 0.267523 O\n0.555200 0.831353 0.267523 O\n0.444800 0.168647 0.732477 O\n0.168647 0.444800 0.732477 O\n0.102213 0.102213 0.154277 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Ho",
"O"
],
"chemical_system": "Ho-O-Rb",
"density": 4.488364981501043,
"density_atomic": 0.040314104348872,
"volume": 347.27300100347446,
"volume_molar": 14.938049244218176,
"formula_full": "Rb6 Ho2 O6",
"formula_reduced": "Rb3HoO3",
"formula_anonymous": "AB3C3",
"energy": -75.74541139,
"energy_per_atom": -5.410386527857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.62341139,
"band_gap": 2.2127,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.029000Z",
"spacegroup": 12
},
{
"id": "mp-754162",
"created_at": "2022-09-04T14:44:56.057264Z",
"structure_string": "Li4 Gd4 O8\n1.0\n6.215739 0.000000 0.000000\n0.000000 6.366669 0.000000\n0.000000 3.250964 5.612471\nLi Gd O\n4 4 8\ndirect\n0.158355 0.703154 0.570610 Li\n0.658355 0.296846 0.929390 Li\n0.341645 0.703154 0.070610 Li\n0.841645 0.296846 0.429390 Li\n0.867536 0.768848 0.974610 Gd\n0.632464 0.768848 0.474610 Gd\n0.367536 0.231152 0.525390 Gd\n0.132464 0.231152 0.025390 Gd\n0.178068 0.983861 0.856212 O\n0.321932 0.983861 0.356212 O\n0.894344 0.549483 0.762987 O\n0.394344 0.450517 0.737013 O\n0.605656 0.549483 0.262987 O\n0.105656 0.450517 0.237013 O\n0.678068 0.016139 0.643788 O\n0.821932 0.016139 0.143788 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Gd",
"O"
],
"chemical_system": "Gd-Li-O",
"density": 5.867138786088231,
"density_atomic": 0.07203786464023938,
"volume": 222.10541747600072,
"volume_molar": 8.359688047494002,
"formula_full": "Li4 Gd4 O8",
"formula_reduced": "LiGdO2",
"formula_anonymous": "ABC2",
"energy": -154.81137672,
"energy_per_atom": -9.675711045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.31537672,
"band_gap": 2.8011,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9999469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.101000Z",
"spacegroup": 14
},
{
"id": "mp-754163",
"created_at": "2022-09-04T14:43:13.863858Z",
"structure_string": "Be2 Cl2 O2\n1.0\n13.403235 -1.353841 0.000000\n13.403235 1.353841 0.000000\n13.266486 0.000000 2.340931\nBe Cl O\n2 2 2\ndirect\n0.134343 0.134343 0.134343 Be\n0.865657 0.865657 0.865657 Be\n0.379140 0.379140 0.379140 Cl\n0.620860 0.620860 0.620860 Cl\n0.199693 0.199693 0.199693 O\n0.800307 0.800307 0.800307 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cl",
"O"
],
"chemical_system": "Be-Cl-O",
"density": 2.3636558601456494,
"density_atomic": 0.07062449370566243,
"volume": 84.95636124495064,
"volume_molar": 8.526986097908361,
"formula_full": "Be2 Cl2 O2",
"formula_reduced": "BeClO",
"formula_anonymous": "ABC",
"energy": -31.69551236,
"energy_per_atom": -5.282585393333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.32151236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0650612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.258000Z",
"spacegroup": 166
},
{
"id": "mp-754164",
"created_at": "2022-09-04T14:43:04.016805Z",
"structure_string": "Tl6 W1 O12\n1.0\n4.274543 -4.954309 0.000000\n4.274543 4.954309 0.000000\n-1.467632 0.000000 6.376750\nTl W O\n6 1 12\ndirect\n0.304810 0.605352 0.134789 Tl\n0.865211 0.695190 0.394648 Tl\n0.394648 0.865211 0.695190 Tl\n0.605352 0.134789 0.304810 Tl\n0.134789 0.304810 0.605352 Tl\n0.695190 0.394648 0.865211 Tl\n0.000000 0.000000 0.000000 W\n0.292330 0.967841 0.081491 O\n0.918509 0.707670 0.032159 O\n0.580485 0.825690 0.397665 O\n0.602335 0.419515 0.174310 O\n0.032159 0.918509 0.707670 O\n0.174310 0.602335 0.419515 O\n0.825690 0.397665 0.580485 O\n0.967841 0.081491 0.292330 O\n0.397665 0.580485 0.825690 O\n0.419515 0.174310 0.602335 O\n0.081491 0.292330 0.967841 O\n0.707670 0.032159 0.918509 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tl",
"W",
"O"
],
"chemical_system": "O-Tl-W",
"density": 9.850207702579219,
"density_atomic": 0.07034794804703978,
"volume": 270.0860583352795,
"volume_molar": 8.560506634782236,
"formula_full": "Tl6 W1 O12",
"formula_reduced": "Tl6WO12",
"formula_anonymous": "AB6C12",
"energy": -111.56495914,
"energy_per_atom": -5.871839954736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.88295914,
"band_gap": 0.1292999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.745000Z",
"spacegroup": 148
},
{
"id": "mp-754165",
"created_at": "2022-09-04T14:39:28.482401Z",
"structure_string": "Sc2 Ga2 O6\n1.0\n1.662790 -2.880037 0.000000\n1.662790 2.880037 0.000000\n0.000000 0.000000 11.864690\nSc Ga O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.083555 O\n0.000000 0.000000 0.250000 O\n0.333333 0.666667 0.416445 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.583555 O\n0.666667 0.333333 0.916445 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"O"
],
"chemical_system": "Ga-O-Sc",
"density": 4.75426827518686,
"density_atomic": 0.08799908119180253,
"volume": 113.6375501262795,
"volume_molar": 6.84341322482011,
"formula_full": "Sc2 Ga2 O6",
"formula_reduced": "ScGaO3",
"formula_anonymous": "ABC3",
"energy": -79.42142936,
"energy_per_atom": -7.942142936000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.29942936,
"band_gap": 2.3913999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.791000Z",
"spacegroup": 194
},
{
"id": "mp-754166",
"created_at": "2022-09-04T14:41:36.214881Z",
"structure_string": "Li4 Ti2 Fe4 O10\n1.0\n-6.026323 6.893061 -2.549738\n2.978299 1.696987 -2.446108\n-0.031551 -1.608207 -4.777568\nLi Ti Fe O\n4 2 4 10\ndirect\n0.901450 0.300244 0.399113 Li\n0.698460 0.899783 0.200863 Li\n0.504473 0.504287 0.991622 Li\n0.095558 0.695715 0.608407 Li\n0.608648 0.206791 0.589288 Ti\n0.991252 0.993137 0.010419 Ti\n0.799959 0.600088 0.799915 Fe\n0.300197 0.099713 0.800631 Fe\n0.210779 0.387541 0.225915 Fe\n0.388936 0.812606 0.373727 Fe\n0.800060 0.100056 0.799972 O\n0.901199 0.809777 0.380634 O\n0.698833 0.390299 0.219280 O\n0.503858 0.011293 0.977070 O\n0.601997 0.701106 0.596426 O\n0.419083 0.301080 0.396989 O\n0.300037 0.599960 0.800079 O\n0.096383 0.188661 0.623013 O\n0.180799 0.898870 0.203069 O\n0.998038 0.498992 0.003567 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.592962812767877,
"density_atomic": 0.10913788322689832,
"volume": 183.25442466590522,
"volume_molar": 5.5179197011544865,
"formula_full": "Li4 Ti2 Fe4 O10",
"formula_reduced": "Li2TiFe2O5",
"formula_anonymous": "AB2C2D5",
"energy": -152.76581352,
"energy_per_atom": -7.638290676,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.87181352,
"band_gap": 0.9697999999999992,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.9999922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.252000Z",
"spacegroup": 12
},
{
"id": "mp-754167",
"created_at": "2022-09-04T14:48:19.890395Z",
"structure_string": "Mn5 O1 F11\n1.0\n-5.262974 -0.033281 -0.042921\n2.539357 -5.114164 0.015693\n0.167615 -2.862743 8.777978\nMn O F\n5 1 11\ndirect\n0.760667 0.559282 0.415702 Mn\n0.535784 0.089707 0.172158 Mn\n0.328995 0.596001 0.891433 Mn\n0.029929 0.062660 0.635709 Mn\n0.019162 0.011538 0.001517 Mn\n0.402877 0.259802 0.990000 O\n0.027287 0.270811 0.796893 F\n0.952594 0.331975 0.468073 F\n0.432609 0.295822 0.590830 F\n0.539456 0.340794 0.288589 F\n0.628241 0.823592 0.711409 F\n0.606702 0.820194 0.029618 F\n0.614707 0.829766 0.338017 F\n0.953889 0.303200 0.077516 F\n0.088876 0.810256 0.201361 F\n0.012955 0.797803 0.524496 F\n0.101589 0.820879 0.853688 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.500268813747479,
"density_atomic": 0.07171601617713796,
"volume": 237.04607291640602,
"volume_molar": 8.397204810046004,
"formula_full": "Mn5 O1 F11",
"formula_reduced": "Mn5OF11",
"formula_anonymous": "AB5C11",
"energy": -117.94402369,
"energy_per_atom": -6.937883746470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.83502369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0021729,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:06.353000Z",
"spacegroup": 1
}
]
}