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=energy_above_hull&page=11453",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=11451",
"results": [
{
"id": "mp-1234188",
"created_at": "2022-09-04T14:45:13.729208Z",
"structure_string": "Rb2 Mg1 Cu4 H5 S4 O20\n1.0\n9.319915 -0.239640 5.993528\n4.114413 5.022501 0.404785\n-1.681585 0.296859 8.386018\nRb Mg Cu H S O\n2 1 4 5 4 20\ndirect\n0.997570 0.504065 0.486852 Rb\n0.522071 0.361292 0.505040 Rb\n0.382817 0.947223 0.558157 Mg\n0.240009 0.998317 0.002033 Cu\n0.245925 0.492656 0.006581 Cu\n0.783062 0.979877 0.967446 Cu\n0.763065 0.490889 0.023589 Cu\n0.053938 0.439551 0.972961 H\n0.306190 0.702088 0.177083 H\n0.537488 0.458841 0.979386 H\n0.709783 0.326020 0.804372 H\n0.825799 0.730724 0.163045 H\n0.432703 0.079046 0.257513 S\n0.090639 0.940816 0.735000 S\n0.927382 0.067678 0.272257 S\n0.563174 0.904063 0.721187 S\n0.037001 0.148516 0.224234 O\n0.027356 0.776160 0.218033 O\n0.330614 0.136200 0.170730 O\n0.324818 0.231299 0.452772 O\n0.173267 0.315449 0.935522 O\n0.348017 0.648217 0.049378 O\n0.230859 0.862671 0.557987 O\n0.542672 0.149857 0.184017 O\n0.163998 0.825044 0.851359 O\n0.479711 0.179560 0.809412 O\n0.524201 0.798477 0.258714 O\n0.821623 0.172899 0.182384 O\n0.439903 0.842280 0.762185 O\n0.828110 0.167660 0.464666 O\n0.664176 0.342327 0.930223 O\n0.853760 0.670518 0.040225 O\n0.621009 0.861870 0.526661 O\n0.688813 0.731896 0.770110 O\n0.982197 0.228745 0.796751 O\n0.999081 0.846581 0.717288 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Rb",
"Mg",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Mg-O-Rb-S",
"density": 3.27436368599096,
"density_atomic": 0.07863772819293997,
"volume": 457.7955242002025,
"volume_molar": 7.658080794532239,
"formula_full": "Rb2 Mg1 Cu4 H5 S4 O20",
"formula_reduced": "Rb2MgCu4H5(SO5)4",
"formula_anonymous": "AB2C4D4E5F20",
"energy": -211.31819546,
"energy_per_atom": -5.8699498738888884,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.57819546,
"band_gap": 0.0624,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.619000Z",
"spacegroup": 1
},
{
"id": "mp-1225416",
"created_at": "2022-09-04T14:45:13.731877Z",
"structure_string": "Eu1 Zn2 Ga2\n1.0\n4.345067 0.000000 0.000000\n0.000000 4.345067 0.000000\n2.172534 2.172534 5.372421\nEu Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.385001 0.385001 0.229998 Zn\n0.614999 0.614999 0.770002 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Ga"
],
"chemical_system": "Eu-Ga-Zn",
"density": 6.912468009431126,
"density_atomic": 0.049295469942989265,
"volume": 101.42919837832063,
"volume_molar": 12.216418196164213,
"formula_full": "Eu1 Zn2 Ga2",
"formula_reduced": "Eu(ZnGa)2",
"formula_anonymous": "AB2C2",
"energy": -20.785484409999995,
"energy_per_atom": -4.157096881999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.785484409999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8886917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.672000Z",
"spacegroup": 139
},
{
"id": "mp-22271",
"created_at": "2022-09-04T14:45:13.737773Z",
"structure_string": "Cu4 As8 O16\n1.0\n8.889183 0.000000 0.000000\n0.000000 8.889183 0.000000\n0.000000 0.000000 5.640858\nCu As O\n4 8 16\ndirect\n0.500000 0.000000 0.250000 Cu\n0.000000 0.500000 0.750000 Cu\n0.500000 0.000000 0.750000 Cu\n0.000000 0.500000 0.250000 Cu\n0.842606 0.792401 0.000000 As\n0.792401 0.157394 0.500000 As\n0.207599 0.842606 0.500000 As\n0.157394 0.207599 0.000000 As\n0.342606 0.707599 0.000000 As\n0.657394 0.292401 0.000000 As\n0.707599 0.657394 0.500000 As\n0.292401 0.342606 0.500000 As\n0.407600 0.878397 0.500000 O\n0.592400 0.121603 0.500000 O\n0.121603 0.407600 0.000000 O\n0.878397 0.592400 0.000000 O\n0.378397 0.907600 0.000000 O\n0.907600 0.621603 0.500000 O\n0.092400 0.378397 0.500000 O\n0.621603 0.092400 0.000000 O\n0.207516 0.707516 0.750000 O\n0.707516 0.792484 0.250000 O\n0.292484 0.207516 0.250000 O\n0.792484 0.292484 0.750000 O\n0.207516 0.707516 0.250000 O\n0.707516 0.792484 0.750000 O\n0.292484 0.207516 0.750000 O\n0.792484 0.292484 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-O",
"density": 4.133576866580498,
"density_atomic": 0.06281873261092809,
"volume": 445.7269167370794,
"volume_molar": 9.586536546826759,
"formula_full": "Cu4 As8 O16",
"formula_reduced": "Cu(AsO2)2",
"formula_anonymous": "AB2C4",
"energy": -172.27387260999998,
"energy_per_atom": -6.152638307499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.28187261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998398,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.140000Z",
"spacegroup": 135
},
{
"id": "mp-861978",
"created_at": "2022-09-04T14:45:13.752915Z",
"structure_string": "Hf2 Re1 Ir1\n1.0\n0.000000 3.272129 3.272129\n3.272129 0.000000 3.272129\n3.272129 3.272129 0.000000\nHf Re Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Re",
"Ir"
],
"chemical_system": "Hf-Ir-Re",
"density": 17.428252318279327,
"density_atomic": 0.0570872003403543,
"volume": 70.0682460543164,
"volume_molar": 10.5490210136352,
"formula_full": "Hf2 Re1 Ir1",
"formula_reduced": "Hf2ReIr",
"formula_anonymous": "ABC2",
"energy": -44.19172517,
"energy_per_atom": -11.0479312925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.19172517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.125000Z",
"spacegroup": 225
},
{
"id": "mp-1181167",
"created_at": "2022-09-04T14:45:13.769710Z",
"structure_string": "Na8 B16 O44\n1.0\n11.731235 0.000000 0.000000\n0.000000 7.186917 0.000000\n0.000000 2.261423 12.814175\nNa B O\n8 16 44\ndirect\n0.987621 0.000000 0.750000 Na\n0.012379 0.000000 0.250000 Na\n0.602917 0.500000 0.750000 Na\n0.397083 0.500000 0.250000 Na\n0.767286 0.181567 0.978880 Na\n0.767286 0.818433 0.521120 Na\n0.232714 0.818433 0.021120 Na\n0.232714 0.181567 0.478880 Na\n0.485593 0.314533 0.986941 B\n0.485593 0.685467 0.513059 B\n0.514407 0.685467 0.013059 B\n0.514407 0.314533 0.486941 B\n0.811073 0.301615 0.706998 B\n0.811073 0.698385 0.793002 B\n0.188927 0.698385 0.293002 B\n0.188927 0.301615 0.206998 B\n0.913227 0.393433 0.546070 B\n0.913227 0.606567 0.953930 B\n0.086773 0.606567 0.453930 B\n0.086773 0.393433 0.046070 B\n0.716139 0.309490 0.539244 B\n0.716139 0.690510 0.960756 B\n0.283861 0.690510 0.460756 B\n0.283861 0.309490 0.039244 B\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.915934 0.317951 0.651690 O\n0.915934 0.682049 0.848310 O\n0.084066 0.682049 0.348310 O\n0.084066 0.317951 0.151690 O\n0.817188 0.367270 0.487567 O\n0.817188 0.632730 0.012433 O\n0.182812 0.632730 0.512433 O\n0.182812 0.367270 0.987567 O\n0.710078 0.309987 0.645507 O\n0.710078 0.690013 0.854493 O\n0.289922 0.690013 0.354493 O\n0.289922 0.309987 0.145507 O\n0.626724 0.251099 0.486297 O\n0.626724 0.748901 0.013703 O\n0.373276 0.748901 0.513703 O\n0.373276 0.251099 0.986297 O\n0.802466 0.277251 0.809892 O\n0.802466 0.722749 0.690108 O\n0.197534 0.722749 0.190108 O\n0.197534 0.277251 0.309892 O\n0.421176 0.214724 0.471437 O\n0.421176 0.785276 0.028563 O\n0.578824 0.785276 0.528563 O\n0.578824 0.214724 0.971437 O\n0.538796 0.186046 0.816335 O\n0.538796 0.813954 0.683665 O\n0.461204 0.813954 0.183665 O\n0.461204 0.186046 0.316335 O\n0.209155 0.159288 0.775336 O\n0.209155 0.840712 0.724664 O\n0.790845 0.840712 0.224664 O\n0.790845 0.159288 0.275336 O\n0.061626 0.094375 0.405625 O\n0.061626 0.905625 0.094375 O\n0.938374 0.905625 0.594375 O\n0.938374 0.094375 0.905625 O\n0.208652 0.142776 0.681840 O\n0.208652 0.857224 0.818160 O\n0.791348 0.857224 0.318160 O\n0.791348 0.142776 0.181840 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Na",
"B",
"O"
],
"chemical_system": "B-Na-O",
"density": 1.630547037399941,
"density_atomic": 0.06294074772879603,
"volume": 1080.3811911006153,
"volume_molar": 9.567952363624066,
"formula_full": "Na8 B16 O44",
"formula_reduced": "Na2B4O11",
"formula_anonymous": "A2B4C11",
"energy": -435.97561092,
"energy_per_atom": -6.411406042941176,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -428.89161092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.645000Z",
"spacegroup": 13
},
{
"id": "mp-1019086",
"created_at": "2022-09-04T14:45:13.770714Z",
"structure_string": "C2 N4\n1.0\n3.313000 0.000000 0.000000\n0.000000 3.313000 0.000000\n0.000000 0.000000 4.748000\nC N\n2 4\ndirect\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.000000 C\n0.154420 0.345580 0.160800 N\n0.345580 0.845580 0.839200 N\n0.845580 0.654420 0.160800 N\n0.654420 0.154420 0.839200 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.550627783372581,
"density_atomic": 0.11513242928494062,
"volume": 52.113900812000004,
"volume_molar": 5.230620770709039,
"formula_full": "C2 N4",
"formula_reduced": "CN2",
"formula_anonymous": "AB2",
"energy": -49.55939575,
"energy_per_atom": -8.259899291666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.11539574999999,
"band_gap": 4.660499999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.925000Z",
"spacegroup": 113
},
{
"id": "mp-755450",
"created_at": "2022-09-04T14:45:13.772151Z",
"structure_string": "La4 Ce4 O14\n1.0\n0.000000 5.613700 5.613700\n5.613700 0.000000 5.613700\n5.613700 5.613700 0.000000\nLa Ce O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 La\n0.625000 0.625000 0.625000 La\n0.625000 0.125000 0.625000 La\n0.625000 0.625000 0.125000 La\n0.125000 0.625000 0.125000 Ce\n0.125000 0.125000 0.625000 Ce\n0.125000 0.125000 0.125000 Ce\n0.625000 0.125000 0.125000 Ce\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n0.219400 0.780600 0.780600 O\n0.780600 0.219400 0.780600 O\n0.219400 0.219400 0.780600 O\n0.219400 0.780600 0.219400 O\n0.780600 0.780600 0.219400 O\n0.469400 0.030600 0.030600 O\n0.780600 0.219400 0.219400 O\n0.030600 0.469400 0.030600 O\n0.469400 0.030600 0.469400 O\n0.030600 0.030600 0.469400 O\n0.469400 0.469400 0.030600 O\n0.030600 0.469400 0.469400 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"Ce",
"O"
],
"chemical_system": "Ce-La-O",
"density": 6.289286964698369,
"density_atomic": 0.062179193600043266,
"volume": 353.81610352670594,
"volume_molar": 9.685138084511616,
"formula_full": "La4 Ce4 O14",
"formula_reduced": "La2Ce2O7",
"formula_anonymous": "A2B2C7",
"energy": -198.41941195,
"energy_per_atom": -9.019064179545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.80141195,
"band_gap": 2.1894,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.474000Z",
"spacegroup": 227
},
{
"id": "mp-1222490",
"created_at": "2022-09-04T14:45:13.776269Z",
"structure_string": "Li4 Cd5 Sb5\n1.0\n19.487105 -2.362731 0.000000\n19.487105 2.362731 0.000000\n19.200633 0.000000 4.082331\nLi Cd Sb\n4 5 5\ndirect\n0.749641 0.749641 0.749641 Li\n0.149781 0.149781 0.149781 Li\n0.549956 0.549956 0.549956 Li\n0.950613 0.950613 0.950613 Li\n0.049065 0.049065 0.049065 Cd\n0.449106 0.449106 0.449106 Cd\n0.849934 0.849934 0.849934 Cd\n0.249775 0.249775 0.249775 Cd\n0.651345 0.651345 0.651345 Cd\n0.600115 0.600115 0.600115 Sb\n0.800562 0.800562 0.800562 Sb\n0.200051 0.200051 0.200051 Sb\n0.000215 0.000215 0.000215 Sb\n0.399840 0.399840 0.399840 Sb\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Sb"
],
"chemical_system": "Cd-Li-Sb",
"density": 5.294566895816839,
"density_atomic": 0.037241590504747096,
"volume": 375.9237940768253,
"volume_molar": 16.170471449742116,
"formula_full": "Li4 Cd5 Sb5",
"formula_reduced": "Li4(CdSb)5",
"formula_anonymous": "A4B5C5",
"energy": -38.01726443,
"energy_per_atom": -2.715518887857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.05726443,
"band_gap": 0.2604999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021493,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.030000Z",
"spacegroup": 160
},
{
"id": "mp-1185465",
"created_at": "2022-09-04T14:45:13.842117Z",
"structure_string": "Lu2 Ga1 Os1\n1.0\n0.000000 3.408127 3.408127\n3.408127 0.000000 3.408127\n3.408127 3.408127 0.000000\nLu Ga Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"Os"
],
"chemical_system": "Ga-Lu-Os",
"density": 12.791490965139177,
"density_atomic": 0.05052225028502463,
"volume": 79.17303717537787,
"volume_molar": 11.91977935667096,
"formula_full": "Lu2 Ga1 Os1",
"formula_reduced": "Lu2GaOs",
"formula_anonymous": "ABC2",
"energy": -25.06541553,
"energy_per_atom": -6.2663538825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.06541553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.487000Z",
"spacegroup": 225
},
{
"id": "mp-35986",
"created_at": "2022-09-04T14:45:13.961123Z",
"structure_string": "Ba8 Nd6 F34\n1.0\n9.574834 0.000000 0.000000\n2.792054 9.176537 0.000000\n2.843532 2.082364 8.989564\nBa Nd F\n8 6 34\ndirect\n0.891782 0.046222 0.312023 Ba\n0.267949 0.261939 0.265955 Ba\n0.049508 0.310470 0.893169 Ba\n0.692250 0.102857 0.956502 Ba\n0.309735 0.892392 0.050983 Ba\n0.947671 0.688414 0.112520 Ba\n0.738038 0.731719 0.733856 Ba\n0.110355 0.944404 0.686703 Ba\n0.469047 0.156572 0.611275 Nd\n0.606259 0.473006 0.169675 Nd\n0.843751 0.389043 0.532224 Nd\n0.182292 0.610948 0.463854 Nd\n0.388553 0.532143 0.840468 Nd\n0.525650 0.821197 0.391470 Nd\n0.993556 0.001132 0.006053 F\n0.452360 0.018188 0.177843 F\n0.137125 0.139640 0.137238 F\n0.358896 0.041151 0.490878 F\n0.020106 0.176043 0.452641 F\n0.257721 0.081482 0.788852 F\n0.784352 0.261252 0.089719 F\n0.493478 0.354840 0.042565 F\n0.177417 0.450349 0.020391 F\n0.543794 0.260753 0.350231 F\n0.703616 0.205678 0.582021 F\n0.262364 0.345200 0.544863 F\n0.048956 0.488713 0.358701 F\n0.411781 0.298180 0.793974 F\n0.916588 0.210655 0.741926 F\n0.338825 0.547822 0.237825 F\n0.799113 0.419762 0.296441 F\n0.199184 0.591459 0.707898 F\n0.462259 0.571794 0.447357 F\n0.651677 0.457083 0.736086 F\n0.084845 0.785545 0.260546 F\n0.593065 0.719940 0.175561 F\n0.963838 0.507713 0.642303 F\n0.744828 0.650467 0.454400 F\n0.271072 0.834407 0.406504 F\n0.448629 0.745808 0.658144 F\n0.822964 0.545449 0.981706 F\n0.511214 0.642148 0.954629 F\n0.209884 0.741243 0.918996 F\n0.737225 0.912200 0.219160 F\n0.981438 0.818202 0.548760 F\n0.642925 0.951197 0.511122 F\n0.863612 0.860019 0.862219 F\n0.549451 0.980161 0.822774 F\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ba",
"Nd",
"F"
],
"chemical_system": "Ba-F-Nd",
"density": 5.48710390162699,
"density_atomic": 0.06077046163002087,
"volume": 789.8574194191705,
"volume_molar": 9.909651166817921,
"formula_full": "Ba8 Nd6 F34",
"formula_reduced": "Ba4Nd3F17",
"formula_anonymous": "A3B4C17",
"energy": -316.22329593,
"energy_per_atom": -6.587985331875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -300.51529593,
"band_gap": 6.347799999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.051000Z",
"spacegroup": 1
},
{
"id": "mp-18089",
"created_at": "2022-09-04T14:45:13.963174Z",
"structure_string": "Sr4 Ho2 Cu6 Pb4 O16\n1.0\n5.454580 0.000000 0.000000\n0.000000 5.421791 0.000000\n0.000000 0.137100 15.929537\nSr Ho Cu Pb O\n4 2 6 4 16\ndirect\n0.000707 0.994233 0.220414 Sr\n0.999293 0.005767 0.779586 Sr\n0.500707 0.505767 0.779586 Sr\n0.499293 0.494233 0.220414 Sr\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.500000 0.500000 Cu\n0.500869 0.997768 0.103041 Cu\n0.000869 0.502232 0.896959 Cu\n0.999131 0.497768 0.103041 Cu\n0.000000 0.000000 0.500000 Cu\n0.499131 0.002232 0.896959 Cu\n0.495121 0.004065 0.388314 Pb\n0.504879 0.995935 0.611686 Pb\n0.995121 0.495935 0.611686 Pb\n0.004879 0.504065 0.388314 Pb\n0.749528 0.752014 0.908418 O\n0.250472 0.247986 0.091582 O\n0.249566 0.251973 0.910365 O\n0.750434 0.748027 0.089635 O\n0.250434 0.751973 0.910365 O\n0.749566 0.248027 0.089635 O\n0.750472 0.252014 0.908418 O\n0.249528 0.747986 0.091582 O\n0.558338 0.546930 0.614609 O\n0.441662 0.453070 0.385391 O\n0.991087 0.492996 0.250662 O\n0.058338 0.953070 0.385391 O\n0.491087 0.007004 0.749338 O\n0.508913 0.992996 0.250662 O\n0.008913 0.507004 0.749338 O\n0.941662 0.046930 0.614609 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Sr",
"Ho",
"Cu",
"Pb",
"O"
],
"chemical_system": "Cu-Ho-O-Pb-Sr",
"density": 7.565784040109599,
"density_atomic": 0.06792704737315333,
"volume": 471.09363997834083,
"volume_molar": 8.865600659657286,
"formula_full": "Sr4 Ho2 Cu6 Pb4 O16",
"formula_reduced": "Sr2HoCu3(PbO4)2",
"formula_anonymous": "AB2C2D3E8",
"energy": -200.95775431,
"energy_per_atom": -6.2799298221875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.96575431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.771000Z",
"spacegroup": 14
},
{
"id": "mp-1234650",
"created_at": "2022-09-04T14:45:13.964143Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.356775 0.220283 -2.387690\n-2.574152 9.400020 -1.820216\n0.244145 -0.479432 9.700115\nSr Mg Te O\n6 1 8 22\ndirect\n0.303230 0.052715 0.159589 Sr\n0.714177 0.940563 0.895837 Sr\n0.863987 0.061414 0.330727 Sr\n0.137040 0.920532 0.692284 Sr\n0.257402 0.541488 0.554899 Sr\n0.684385 0.455654 0.396744 Sr\n0.577253 0.516985 0.848903 Mg\n0.040788 0.331056 0.176631 Te\n0.925846 0.619965 0.806498 Te\n0.061140 0.266063 0.791339 Te\n0.962076 0.734859 0.201181 Te\n0.396672 0.742817 0.011987 Te\n0.559386 0.274617 0.980823 Te\n0.508014 0.807548 0.454723 Te\n0.520297 0.199603 0.576196 Te\n0.969271 0.524165 0.624341 O\n0.973938 0.461029 0.317104 O\n0.452038 0.604464 0.387348 O\n0.512896 0.396794 0.623944 O\n0.813402 0.185235 0.106187 O\n0.250106 0.858661 0.932362 O\n0.742171 0.206267 0.730570 O\n0.345127 0.856522 0.298734 O\n0.372148 0.815088 0.589514 O\n0.613307 0.193963 0.415282 O\n0.053113 0.142329 0.609597 O\n0.915161 0.821257 0.379512 O\n0.477760 0.283457 0.145649 O\n0.456791 0.675468 0.830094 O\n0.594906 0.909498 0.114020 O\n0.457153 0.085581 0.858422 O\n0.971968 0.900071 0.130068 O\n0.064938 0.130373 0.898539 O\n0.168588 0.242447 0.311542 O\n0.863612 0.782740 0.743303 O\n0.718751 0.616211 0.071454 O\n0.359492 0.356787 0.865166 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Te",
"O"
],
"chemical_system": "Mg-O-Sr-Te",
"density": 4.749115596116757,
"density_atomic": 0.05503368435552386,
"volume": 672.3155179103727,
"volume_molar": 10.942645091860989,
"formula_full": "Sr6 Mg1 Te8 O22",
"formula_reduced": "Sr6Mg(Te4O11)2",
"formula_anonymous": "AB6C8D22",
"energy": -226.83863666,
"energy_per_atom": -6.130773963783784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.72463666,
"band_gap": 1.2928999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.246000Z",
"spacegroup": 1
}
]
}