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=-created_at&page=11509",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=11507",
"results": [
{
"id": "mp-1260288",
"created_at": "2022-09-04T14:39:29.382074Z",
"structure_string": "Mn6 Al6 O18\n1.0\n2.802226 -4.853598 0.000000\n2.802226 4.853598 0.000000\n0.000000 0.000000 11.394884\nMn Al O\n6 6 18\ndirect\n0.666939 0.000000 0.501696 Mn\n0.666939 0.666939 0.001696 Mn\n0.000000 0.333061 0.001696 Mn\n0.000000 0.666939 0.501696 Mn\n0.333061 0.333061 0.501696 Mn\n0.333061 0.000000 0.001696 Mn\n0.666667 0.333333 0.250795 Al\n0.333333 0.666667 0.750795 Al\n0.666667 0.333333 0.750795 Al\n0.333333 0.666667 0.250795 Al\n0.000000 0.000000 0.754273 Al\n0.000000 0.000000 0.254273 Al\n0.666667 0.333333 0.009450 O\n0.333333 0.666667 0.509450 O\n0.666667 0.333333 0.509450 O\n0.333333 0.666667 0.009450 O\n0.000000 0.000000 0.984909 O\n0.000000 0.000000 0.484909 O\n0.346356 0.000000 0.827315 O\n0.346356 0.346356 0.327315 O\n0.000000 0.653644 0.327315 O\n0.000000 0.346356 0.827315 O\n0.653644 0.653644 0.827315 O\n0.653644 0.000000 0.327315 O\n0.321970 0.000000 0.176099 O\n0.321970 0.321970 0.676099 O\n0.000000 0.678030 0.676099 O\n0.000000 0.321970 0.176099 O\n0.678030 0.678030 0.176099 O\n0.678030 0.000000 0.676099 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Mn-O",
"density": 4.176015340711994,
"density_atomic": 0.09678641179642856,
"volume": 309.96086581966875,
"volume_molar": 6.22209321352506,
"formula_full": "Mn6 Al6 O18",
"formula_reduced": "MnAlO3",
"formula_anonymous": "ABC3",
"energy": -240.0241404,
"energy_per_atom": -8.00080468,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.6501404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.934000Z",
"spacegroup": 185
},
{
"id": "mp-504210",
"created_at": "2022-09-04T14:39:29.380897Z",
"structure_string": "Mo2 P10 O30\n1.0\n14.017658 0.000000 0.000000\n0.000000 5.334551 0.000000\n0.000000 2.144375 8.763890\nMo P O\n2 10 30\ndirect\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.642545 0.007455 0.475567 P\n0.421715 0.650138 0.820243 P\n0.078285 0.650138 0.820243 P\n0.142545 0.992545 0.524433 P\n0.250000 0.485101 0.008357 P\n0.578285 0.349862 0.179757 P\n0.921715 0.349862 0.179757 P\n0.357455 0.992545 0.524433 P\n0.857455 0.007455 0.475567 P\n0.750000 0.514899 0.991643 P\n0.750000 0.266621 0.938675 O\n0.163313 0.459671 0.896937 O\n0.029332 0.493307 0.718098 O\n0.470668 0.493307 0.718098 O\n0.250000 0.733379 0.061325 O\n0.663313 0.540329 0.103063 O\n0.529332 0.506693 0.281902 O\n0.970668 0.506693 0.281902 O\n0.836687 0.540329 0.103063 O\n0.120655 0.279840 0.493524 O\n0.379345 0.279840 0.493524 O\n0.581337 0.158600 0.560899 O\n0.918663 0.158600 0.560899 O\n0.250000 0.265781 0.149533 O\n0.521968 0.229850 0.079433 O\n0.643140 0.127392 0.298099 O\n0.978032 0.229850 0.079433 O\n0.856860 0.127392 0.298099 O\n0.750000 0.035401 0.526142 O\n0.250000 0.964599 0.473858 O\n0.143140 0.872608 0.701901 O\n0.021968 0.770150 0.920567 O\n0.356860 0.872608 0.701901 O\n0.478032 0.770150 0.920567 O\n0.750000 0.734219 0.850467 O\n0.081337 0.841400 0.439101 O\n0.418663 0.841400 0.439101 O\n0.620655 0.720160 0.506476 O\n0.879345 0.720160 0.506476 O\n0.336687 0.459671 0.896937 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 2.4872144362026347,
"density_atomic": 0.06408834270863768,
"volume": 655.3453908293892,
"volume_molar": 9.396624261885226,
"formula_full": "Mo2 P10 O30",
"formula_reduced": "Mo(PO3)5",
"formula_anonymous": "AB5C15",
"energy": -328.32838745000004,
"energy_per_atom": -7.817342558333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.31438745,
"band_gap": 0.1494,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.366956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.856000Z",
"spacegroup": 11
},
{
"id": "mp-861624",
"created_at": "2022-09-04T14:39:29.380822Z",
"structure_string": "Li1 La1 Hg2\n1.0\n0.000000 3.711650 3.711650\n3.711650 0.000000 3.711650\n3.711650 3.711650 0.000000\nLi La Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Hg"
],
"chemical_system": "Hg-La-Li",
"density": 8.882319567299724,
"density_atomic": 0.03911370411604867,
"volume": 102.26594720183425,
"volume_molar": 15.39649822510435,
"formula_full": "Li1 La1 Hg2",
"formula_reduced": "LiLaHg2",
"formula_anonymous": "ABC2",
"energy": -9.32398424,
"energy_per_atom": -2.33099606,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.32398424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.563000Z",
"spacegroup": 225
},
{
"id": "mp-16092",
"created_at": "2022-09-04T14:39:29.377663Z",
"structure_string": "Tm6 Co58 Si8 B20\n1.0\n11.114557 0.000000 0.000000\n0.000000 11.114557 0.000000\n0.000000 0.000000 7.811636\nTm Co Si B\n6 58 8 20\ndirect\n0.250000 0.750000 0.000000 Tm\n0.250000 0.250000 0.000000 Tm\n0.750000 0.750000 0.000000 Tm\n0.750000 0.250000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.338584 0.674218 0.335604 Co\n0.271616 0.000000 0.526636 Co\n0.500000 0.771616 0.526636 Co\n0.500000 0.228384 0.526636 Co\n0.835142 0.500000 0.970069 Co\n0.000000 0.664858 0.970069 Co\n0.000000 0.335142 0.970069 Co\n0.164858 0.500000 0.970069 Co\n0.664858 0.000000 0.029931 Co\n0.335142 0.000000 0.029931 Co\n0.500000 0.835142 0.029931 Co\n0.500000 0.164858 0.029931 Co\n0.883783 0.383783 0.248033 Co\n0.883783 0.616217 0.248033 Co\n0.116217 0.383783 0.248033 Co\n0.116217 0.616217 0.248033 Co\n0.616217 0.883783 0.751967 Co\n0.383783 0.116217 0.751967 Co\n0.383783 0.883783 0.751967 Co\n0.616217 0.116217 0.751967 Co\n0.889870 0.389870 0.698436 Co\n0.889870 0.610130 0.698436 Co\n0.110130 0.389870 0.698436 Co\n0.110130 0.610130 0.698436 Co\n0.610130 0.889870 0.301564 Co\n0.389870 0.110130 0.301564 Co\n0.389870 0.889870 0.301564 Co\n0.610130 0.110130 0.301564 Co\n0.338584 0.325782 0.335604 Co\n0.825782 0.161416 0.335604 Co\n0.174218 0.838584 0.335604 Co\n0.661416 0.674218 0.335604 Co\n0.161416 0.825782 0.664396 Co\n0.838584 0.174218 0.664396 Co\n0.325782 0.338584 0.664396 Co\n0.610200 0.500000 0.888673 Co\n0.161416 0.174218 0.664396 Co\n0.674218 0.338584 0.664396 Co\n0.325782 0.661416 0.664396 Co\n0.838584 0.825782 0.664396 Co\n0.728384 0.000000 0.526636 Co\n0.000000 0.889800 0.888673 Co\n0.174218 0.161416 0.335604 Co\n0.825782 0.838584 0.335604 Co\n0.000000 0.110200 0.888673 Co\n0.389800 0.500000 0.888673 Co\n0.500000 0.000000 0.534444 Co\n0.000000 0.500000 0.465556 Co\n0.110200 0.000000 0.111327 Co\n0.228384 0.500000 0.473364 Co\n0.000000 0.271616 0.473364 Co\n0.000000 0.728384 0.473364 Co\n0.771616 0.500000 0.473364 Co\n0.500000 0.610200 0.111327 Co\n0.500000 0.389800 0.111327 Co\n0.889800 0.000000 0.111327 Co\n0.674218 0.661416 0.664396 Co\n0.661416 0.325782 0.335604 Co\n0.500000 0.682124 0.825106 Si\n0.317876 0.500000 0.174894 Si\n0.000000 0.182124 0.174894 Si\n0.000000 0.817876 0.174894 Si\n0.682124 0.500000 0.174894 Si\n0.182124 0.000000 0.825106 Si\n0.817876 0.000000 0.825106 Si\n0.500000 0.317876 0.825106 Si\n0.686361 0.186361 0.518192 B\n0.313639 0.813639 0.518192 B\n0.313639 0.186361 0.518192 B\n0.686361 0.813639 0.518192 B\n0.186361 0.686361 0.481808 B\n0.186361 0.313639 0.481808 B\n0.500000 0.256268 0.264102 B\n0.500000 0.743732 0.264102 B\n0.243732 0.000000 0.264102 B\n0.756268 0.000000 0.264102 B\n0.256268 0.500000 0.735898 B\n0.000000 0.243732 0.735898 B\n0.000000 0.756268 0.735898 B\n0.743732 0.500000 0.735898 B\n0.500000 0.000000 0.149460 B\n0.000000 0.500000 0.850540 B\n0.500000 0.000000 0.892653 B\n0.000000 0.500000 0.107347 B\n0.813639 0.686361 0.481808 B\n0.813639 0.313639 0.481808 B\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Tm",
"Co",
"Si",
"B"
],
"chemical_system": "B-Co-Si-Tm",
"density": 8.384682587380572,
"density_atomic": 0.0953370071493998,
"volume": 964.9977773670777,
"volume_molar": 6.316687443904004,
"formula_full": "Tm6 Co58 Si8 B20",
"formula_reduced": "Tm3Co29(Si2B5)2",
"formula_anonymous": "A3B4C10D29",
"energy": -654.67732815,
"energy_per_atom": -7.116057914673913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -655.24532815,
"band_gap": 0.0121999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.2078076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.083000Z",
"spacegroup": 129
},
{
"id": "mp-1289249",
"created_at": "2022-09-04T14:39:29.368624Z",
"structure_string": "Mn4 Si4 O12\n1.0\n5.304579 0.000008 -1.186761\n2.691905 4.671482 4.267053\n2.691892 -4.671477 4.267055\nMn Si O\n4 4 12\ndirect\n0.749986 0.260563 0.239453 Mn\n0.750158 0.898207 0.601676 Mn\n0.250000 0.739452 0.760562 Mn\n0.249978 0.101878 0.398143 Mn\n0.228657 0.209830 0.882372 Si\n0.271335 0.617625 0.290161 Si\n0.771333 0.790149 0.117629 Si\n0.728640 0.382375 0.709864 Si\n0.955609 0.361957 0.838754 O\n0.544371 0.661255 0.138048 O\n0.044364 0.638022 0.161282 O\n0.455611 0.338729 0.861991 O\n0.141954 0.136118 0.113344 O\n0.358022 0.386662 0.363891 O\n0.858010 0.863867 0.886668 O\n0.641973 0.613338 0.636139 O\n0.338798 0.032984 0.714361 O\n0.161229 0.785630 0.467010 O\n0.661205 0.967002 0.285648 O\n0.838769 0.214361 0.533004 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si",
"density": 3.6062093038657204,
"density_atomic": 0.08287593805671702,
"volume": 241.324568613785,
"volume_molar": 7.266452605192456,
"formula_full": "Mn4 Si4 O12",
"formula_reduced": "MnSiO3",
"formula_anonymous": "ABC3",
"energy": -173.39220894,
"energy_per_atom": -8.669610447,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.47620894,
"band_gap": 2.6449,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.449000Z",
"spacegroup": 15
},
{
"id": "mp-10867",
"created_at": "2022-09-04T14:39:29.368049Z",
"structure_string": "Pr2 P2 Pd2\n1.0\n2.128971 -3.687487 0.000000\n2.128971 3.687487 0.000000\n0.000000 0.000000 7.937791\nPr P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"P",
"Pd"
],
"chemical_system": "P-Pd-Pr",
"density": 7.415912616931041,
"density_atomic": 0.04814169213606302,
"volume": 124.63209608507695,
"volume_molar": 12.509200430636305,
"formula_full": "Pr2 P2 Pd2",
"formula_reduced": "PrPPd",
"formula_anonymous": "ABC",
"energy": -38.1486188,
"energy_per_atom": -6.3581031333333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.1486188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149337,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.764000Z",
"spacegroup": 194
},
{
"id": "mp-1027955",
"created_at": "2022-09-04T14:39:29.366419Z",
"structure_string": "Li1 Mg14 Zn1\n1.0\n6.305231 0.000000 0.000000\n-3.152616 5.460490 0.000000\n0.000000 -0.000000 10.190652\nLi Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Li\n0.165183 0.832591 0.125000 Mg\n0.167083 0.833541 0.625000 Mg\n0.667409 0.334817 0.125000 Mg\n0.666459 0.332917 0.625000 Mg\n0.667409 0.832591 0.125000 Mg\n0.666459 0.833541 0.625000 Mg\n0.331202 0.168798 0.372764 Mg\n0.331202 0.168798 0.877236 Mg\n0.331202 0.662406 0.372764 Mg\n0.331202 0.662406 0.877236 Mg\n0.837594 0.168798 0.372764 Mg\n0.837594 0.168798 0.877236 Mg\n0.833333 0.666667 0.375976 Mg\n0.833333 0.666667 0.874024 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 1.9528315494771864,
"density_atomic": 0.04560215782302208,
"volume": 350.86059002064286,
"volume_molar": 13.205824126506018,
"formula_full": "Li1 Mg14 Zn1",
"formula_reduced": "LiMg14Zn",
"formula_anonymous": "ABC14",
"energy": -25.71544157,
"energy_per_atom": -1.607215098125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.71544157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.749000Z",
"spacegroup": 187
},
{
"id": "mp-1183679",
"created_at": "2022-09-04T14:39:29.366005Z",
"structure_string": "Cr1 H3\n1.0\n2.763687 0.000000 0.000000\n0.000000 2.763687 0.000000\n0.000000 0.000000 2.763687\nCr H\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 4.3281518075185,
"density_atomic": 0.18949311031010044,
"volume": 21.108946881784284,
"volume_molar": 3.178026235436701,
"formula_full": "Cr1 H3",
"formula_reduced": "CrH3",
"formula_anonymous": "AB3",
"energy": -19.48095599,
"energy_per_atom": -4.8702389975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.94395599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.380401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.559000Z",
"spacegroup": 221
},
{
"id": "mp-975794",
"created_at": "2022-09-04T14:39:29.360150Z",
"structure_string": "Li3 Be1\n1.0\n-1.915563 1.915563 3.979974\n1.915563 -1.915563 3.979974\n1.915563 1.915563 -3.979974\nLi Be\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Be"
],
"chemical_system": "Be-Li",
"density": 0.8480953517621069,
"density_atomic": 0.06847418712549652,
"volume": 58.41617356725935,
"volume_molar": 8.79476049706568,
"formula_full": "Li3 Be1",
"formula_reduced": "Li3Be",
"formula_anonymous": "AB3",
"energy": -8.4994655,
"energy_per_atom": -2.124866375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.4994655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.368000Z",
"spacegroup": 139
},
{
"id": "mp-1228795",
"created_at": "2022-09-04T14:39:29.355907Z",
"structure_string": "As1 P1\n1.0\n3.492258 -1.842632 0.000000\n3.492258 1.842632 0.000000\n2.520024 0.000000 3.039843\nAs P\n1 1\ndirect\n0.772523 0.772523 0.772523 As\n0.227477 0.227477 0.227477 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"As",
"P"
],
"chemical_system": "As-P",
"density": 4.494692209277933,
"density_atomic": 0.05112153857408996,
"volume": 39.12245319262876,
"volume_molar": 11.780046000126092,
"formula_full": "As1 P1",
"formula_reduced": "AsP",
"formula_anonymous": "AB",
"energy": -9.9062477,
"energy_per_atom": -4.95312385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.9062477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.024000Z",
"spacegroup": 160
},
{
"id": "mp-759085",
"created_at": "2022-09-04T14:39:29.355693Z",
"structure_string": "V8 O6 F18\n1.0\n5.227816 0.000000 0.000000\n-2.604055 -4.743667 0.000000\n-2.552591 1.176196 -17.256058\nV O F\n8 6 18\ndirect\n0.248438 0.622314 0.874863 V\n0.250760 0.143188 0.374249 V\n0.543412 0.262392 0.750604 V\n0.493937 0.721565 0.253712 V\n0.752518 0.895669 0.627374 V\n0.719280 0.379734 0.127712 V\n0.955313 0.980551 0.998384 V\n0.009691 0.497124 0.493090 V\n0.078121 0.345196 0.420950 O\n0.598337 0.798208 0.959208 O\n0.455415 0.457210 0.311644 O\n0.610084 0.075704 0.666724 O\n0.580017 0.564866 0.165856 O\n0.899263 0.449374 0.791519 O\n0.087618 0.848390 0.914555 F\n0.034613 0.321413 0.941828 F\n0.026194 0.816697 0.435859 F\n0.467903 0.927750 0.810514 F\n0.102615 0.033895 0.708353 F\n0.072045 0.536801 0.209647 F\n0.406818 0.397384 0.834316 F\n0.429952 0.928636 0.335032 F\n0.432306 0.728616 0.537912 F\n0.535496 0.554283 0.683873 F\n0.576084 0.292585 0.462551 F\n0.403320 0.193742 0.039520 F\n0.921422 0.673038 0.581284 F\n0.923199 0.963411 0.287119 F\n0.527842 0.044492 0.187554 F\n0.958403 0.676965 0.061755 F\n0.986975 0.202778 0.564627 F\n0.912607 0.166032 0.087811 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.280850594494024,
"density_atomic": 0.07477800913314261,
"volume": 427.93329711444767,
"volume_molar": 8.05335797223158,
"formula_full": "V8 O6 F18",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy": -231.31883252,
"energy_per_atom": -7.22871351625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.28083252,
"band_gap": 1.3633000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.475000Z",
"spacegroup": 1
},
{
"id": "mp-773129",
"created_at": "2022-09-04T14:39:29.350822Z",
"structure_string": "Li4 Sn8 P12 O48\n1.0\n8.759740 0.000000 0.000000\n0.000000 8.878110 0.000000\n0.000000 0.000000 12.321498\nLi Sn P O\n4 8 12 48\ndirect\n0.965501 0.780365 0.073250 Li\n0.534499 0.280365 0.073250 Li\n0.034499 0.280365 0.926750 Li\n0.465501 0.780365 0.926750 Li\n0.000796 0.539202 0.626840 Sn\n0.499204 0.039202 0.626840 Sn\n0.500796 0.539202 0.373160 Sn\n0.999204 0.039202 0.373160 Sn\n0.002381 0.458758 0.139907 Sn\n0.497619 0.958758 0.139907 Sn\n0.997619 0.958758 0.860093 Sn\n0.502381 0.458758 0.860093 Sn\n0.792080 0.251463 0.748892 P\n0.707920 0.751463 0.748892 P\n0.351826 0.392331 0.600866 P\n0.851826 0.392331 0.399134 P\n0.648174 0.892331 0.399134 P\n0.207920 0.751463 0.251108 P\n0.292080 0.251463 0.251108 P\n0.855143 0.105079 0.102138 P\n0.644857 0.605079 0.102138 P\n0.144857 0.605079 0.897862 P\n0.355143 0.105079 0.897862 P\n0.148174 0.892331 0.600866 P\n0.398544 0.430450 0.719121 O\n0.101456 0.930450 0.719121 O\n0.606494 0.847631 0.677209 O\n0.893506 0.347631 0.677209 O\n0.804655 0.646080 0.680289 O\n0.695345 0.146080 0.680289 O\n0.176686 0.397067 0.592827 O\n0.323314 0.897067 0.592827 O\n0.097313 0.731754 0.570729 O\n0.402687 0.231753 0.570729 O\n0.075630 0.012246 0.527280 O\n0.424370 0.512246 0.527280 O\n0.575630 0.012246 0.472720 O\n0.924370 0.512246 0.472720 O\n0.597313 0.731754 0.429271 O\n0.902687 0.231753 0.429271 O\n0.823314 0.897067 0.407173 O\n0.676686 0.397067 0.407173 O\n0.304655 0.646080 0.319711 O\n0.195345 0.146080 0.319711 O\n0.393506 0.347631 0.322791 O\n0.106494 0.847631 0.322791 O\n0.898544 0.430450 0.280879 O\n0.601456 0.930450 0.280879 O\n0.905321 0.067630 0.216183 O\n0.594679 0.567630 0.216183 O\n0.098677 0.664387 0.171040 O\n0.401323 0.164387 0.171040 O\n0.196843 0.347630 0.170542 O\n0.303157 0.847630 0.170542 O\n0.822669 0.604646 0.090010 O\n0.677331 0.104646 0.090010 O\n0.910232 0.264503 0.064449 O\n0.589768 0.764503 0.064449 O\n0.923139 0.983577 0.023751 O\n0.576861 0.483577 0.023751 O\n0.076861 0.483577 0.976249 O\n0.423139 0.983577 0.976249 O\n0.089768 0.764503 0.935551 O\n0.410232 0.264503 0.935551 O\n0.177331 0.104646 0.909990 O\n0.322669 0.604646 0.909990 O\n0.803157 0.847630 0.829458 O\n0.696843 0.347630 0.829458 O\n0.901323 0.164387 0.828960 O\n0.598677 0.664387 0.828960 O\n0.094679 0.567630 0.783817 O\n0.405321 0.067630 0.783817 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Sn",
"P",
"O"
],
"chemical_system": "Li-O-P-Sn",
"density": 3.668726119657142,
"density_atomic": 0.07513758771214515,
"volume": 958.2421021531146,
"volume_molar": 8.014817807394937,
"formula_full": "Li4 Sn8 P12 O48",
"formula_reduced": "LiSn2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -523.0541707699999,
"energy_per_atom": -7.264641260694443,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -490.07817077,
"band_gap": 2.4853999999999994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.875000Z",
"spacegroup": 29
}
]
}