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_magnetic&page=50",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=48",
"results": [
{
"id": "mp-777297",
"created_at": "2022-09-04T14:41:17.344899Z",
"structure_string": "K20 H4 C8 N16\n1.0\n9.132284 0.000000 0.000000\n0.000000 9.132284 0.000000\n0.000000 0.000000 11.103603\nK H C N\n20 4 8 16\ndirect\n0.294714 0.396066 0.101522 K\n0.294714 0.603934 0.601522 K\n0.396066 0.294714 0.398478 K\n0.396066 0.705286 0.898478 K\n0.500000 0.000000 0.152344 K\n0.500000 0.000000 0.652344 K\n0.603934 0.294714 0.898478 K\n0.603934 0.705286 0.398478 K\n0.705286 0.396066 0.601522 K\n0.705286 0.603934 0.101522 K\n0.794714 0.896066 0.898478 K\n0.794714 0.103934 0.398478 K\n0.896066 0.794714 0.601522 K\n0.896066 0.205286 0.101522 K\n0.000000 0.500000 0.347656 K\n0.000000 0.500000 0.847656 K\n0.103934 0.794714 0.101522 K\n0.103934 0.205286 0.601522 K\n0.205286 0.103934 0.898478 K\n0.205286 0.896066 0.398478 K\n0.500000 0.000000 0.399582 H\n0.500000 0.000000 0.899582 H\n0.000000 0.500000 0.100418 H\n0.000000 0.500000 0.600418 H\n0.352931 0.352931 0.750000 C\n0.352931 0.647069 0.250000 C\n0.647069 0.352931 0.250000 C\n0.647069 0.647069 0.750000 C\n0.852931 0.852931 0.250000 C\n0.852931 0.147069 0.750000 C\n0.147069 0.852931 0.750000 C\n0.147069 0.147069 0.250000 C\n0.305670 0.599132 0.347529 N\n0.305670 0.400868 0.847529 N\n0.400868 0.694330 0.152471 N\n0.400868 0.305670 0.652471 N\n0.599132 0.305670 0.152471 N\n0.599132 0.694330 0.652471 N\n0.694330 0.400868 0.347529 N\n0.694330 0.599132 0.847529 N\n0.805670 0.900868 0.152471 N\n0.805670 0.099132 0.652471 N\n0.900868 0.805670 0.347529 N\n0.900868 0.194330 0.847529 N\n0.099132 0.194330 0.347529 N\n0.099132 0.805670 0.847529 N\n0.194330 0.900868 0.652471 N\n0.194330 0.099132 0.152471 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"N"
],
"chemical_system": "C-H-K-N",
"density": 1.9836100593918873,
"density_atomic": 0.05183444991136301,
"volume": 926.0250679245188,
"volume_molar": 11.61802772152086,
"formula_full": "K20 H4 C8 N16",
"formula_reduced": "K5H(CN2)2",
"formula_anonymous": "AB2C4D5",
"energy": -270.11720872,
"energy_per_atom": -5.6274418483333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.62520872,
"band_gap": 3.8504,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.481000Z",
"spacegroup": 130
},
{
"id": "mp-1213354",
"created_at": "2022-09-04T14:41:15.769044Z",
"structure_string": "Cs2 Er2 Mo4 O16\n1.0\n5.062911 0.000000 0.000000\n0.000000 8.251935 0.000000\n0.000000 0.349070 9.717430\nCs Er Mo O\n2 2 4 16\ndirect\n0.468018 0.750000 0.500000 Cs\n0.531982 0.250000 0.500000 Cs\n0.500458 0.750000 0.000000 Er\n0.499542 0.250000 0.000000 Er\n0.975091 0.492119 0.190555 Mo\n0.024909 0.507881 0.809445 Mo\n0.975091 0.007881 0.809445 Mo\n0.024909 0.992119 0.190555 Mo\n0.887677 0.982294 0.356142 O\n0.112323 0.017706 0.643858 O\n0.887677 0.517706 0.643858 O\n0.112323 0.482294 0.356142 O\n0.758741 0.319332 0.178383 O\n0.241259 0.680668 0.821617 O\n0.758741 0.180668 0.821617 O\n0.241259 0.819332 0.178383 O\n0.746392 0.997570 0.066144 O\n0.253608 0.002430 0.933856 O\n0.746392 0.502430 0.933856 O\n0.253608 0.497570 0.066144 O\n0.758050 0.665687 0.180045 O\n0.241950 0.334313 0.819955 O\n0.758050 0.834313 0.819955 O\n0.241950 0.165687 0.180045 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cs",
"Er",
"Mo",
"O"
],
"chemical_system": "Cs-Er-Mo-O",
"density": 5.072137807213339,
"density_atomic": 0.05911582153711396,
"volume": 405.98268578458936,
"volume_molar": 10.1870203329902,
"formula_full": "Cs2 Er2 Mo4 O16",
"formula_reduced": "CsEr(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -194.64207719,
"energy_per_atom": -8.110086549583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.84207719,
"band_gap": 3.6324,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.284000Z",
"spacegroup": 13
},
{
"id": "mp-1102291",
"created_at": "2022-09-04T14:41:17.346459Z",
"structure_string": "La3 Ta1 O7\n1.0\n3.880391 -5.576162 0.000000\n3.880391 5.576162 0.000000\n0.000000 0.000000 3.968502\nLa Ta O\n3 1 7\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 O\n0.433769 0.185742 0.000000 O\n0.814258 0.566231 0.000000 O\n0.566231 0.814258 0.000000 O\n0.185742 0.433769 0.000000 O\n0.130437 0.869563 0.500000 O\n0.869563 0.130437 0.500000 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"La",
"Ta",
"O"
],
"chemical_system": "La-O-Ta",
"density": 6.861704467575155,
"density_atomic": 0.06405089680144244,
"volume": 171.73842286861282,
"volume_molar": 9.402117785592631,
"formula_full": "La3 Ta1 O7",
"formula_reduced": "La3TaO7",
"formula_anonymous": "AB3C7",
"energy": -103.20373296,
"energy_per_atom": -9.38215754181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.39473295999998,
"band_gap": 3.5388,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.638000Z",
"spacegroup": 65
},
{
"id": "mp-1184725",
"created_at": "2022-09-04T14:41:16.569570Z",
"structure_string": "Hg6 B2\n1.0\n6.163352 -0.038691 0.000000\n-3.115177 5.305638 0.000000\n0.000000 0.000000 5.172233\nHg B\n6 2\ndirect\n0.170996 0.341447 0.250001 Hg\n0.658602 0.829008 0.250001 Hg\n0.170577 0.829345 0.250001 Hg\n0.828987 0.658543 0.750001 Hg\n0.341416 0.171027 0.750001 Hg\n0.829346 0.170736 0.750001 Hg\n0.333932 0.665715 0.750001 B\n0.666145 0.334183 0.250001 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"B"
],
"chemical_system": "B-Hg",
"density": 12.072956926926974,
"density_atomic": 0.047474568116540716,
"volume": 168.51127492853806,
"volume_molar": 12.684982715833938,
"formula_full": "Hg6 B2",
"formula_reduced": "Hg3B",
"formula_anonymous": "AB3",
"energy": -6.738413,
"energy_per_atom": -0.842301625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.738413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.089000Z",
"spacegroup": 194
},
{
"id": "mp-2484",
"created_at": "2022-09-04T14:41:17.361132Z",
"structure_string": "Sm1 Sn3\n1.0\n4.757429 0.000000 0.000000\n0.000000 4.757429 0.000000\n0.000000 0.000000 4.757429\nSm Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Sn"
],
"chemical_system": "Sm-Sn",
"density": 7.810935038370489,
"density_atomic": 0.037148650741012534,
"volume": 107.67551230559107,
"volume_molar": 16.21092728773454,
"formula_full": "Sm1 Sn3",
"formula_reduced": "SmSn3",
"formula_anonymous": "AB3",
"energy": -18.59171741,
"energy_per_atom": -4.6479293525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.59171741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060569,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.856000Z",
"spacegroup": 221
},
{
"id": "mp-676643",
"created_at": "2022-09-04T14:41:17.360874Z",
"structure_string": "Ba4 N2 F2\n1.0\n-2.870412 2.870412 5.822212\n2.870412 -2.870412 5.822212\n2.870412 2.870412 -5.822212\nBa N F\n4 2 2\ndirect\n0.769078 0.769078 0.000000 Ba\n0.230922 0.230922 0.000000 Ba\n0.980922 0.480922 0.500000 Ba\n0.519078 0.019078 0.500000 Ba\n0.000000 0.000000 0.000000 N\n0.750000 0.250000 0.500000 N\n0.500000 0.500000 0.000000 F\n0.250000 0.750000 0.500000 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.3249113576697,
"density_atomic": 0.04169207464749762,
"volume": 191.88299137520048,
"volume_molar": 14.44432979389154,
"formula_full": "Ba4 N2 F2",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy": -43.09036241,
"energy_per_atom": -5.38629530125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.44436241,
"band_gap": 0.3820999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.576000Z",
"spacegroup": 141
},
{
"id": "mp-752535",
"created_at": "2022-09-04T14:41:17.367610Z",
"structure_string": "Ta2 In6 O14\n1.0\n3.758119 -5.218054 0.000000\n3.758119 5.218054 0.000000\n0.000000 0.000000 7.316525\nTa In O\n2 6 14\ndirect\n0.009648 0.009648 0.500000 Ta\n0.990352 0.990352 0.000000 Ta\n0.478724 0.001073 0.255925 In\n0.998927 0.521276 0.244075 In\n0.455142 0.455142 0.000000 In\n0.544858 0.544858 0.500000 In\n0.521276 0.998927 0.755925 In\n0.001073 0.478724 0.744075 In\n0.943979 0.056021 0.750000 O\n0.642471 0.357529 0.750000 O\n0.317712 0.047854 0.533321 O\n0.952146 0.682288 0.966679 O\n0.627480 0.372520 0.250000 O\n0.919726 0.668643 0.519315 O\n0.331357 0.080274 0.980685 O\n0.080274 0.331357 0.019315 O\n0.668643 0.919726 0.480685 O\n0.372520 0.627480 0.750000 O\n0.682288 0.952146 0.033321 O\n0.047854 0.317712 0.466679 O\n0.357529 0.642471 0.250000 O\n0.056021 0.943979 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"In",
"O"
],
"chemical_system": "In-O-Ta",
"density": 7.376929244976949,
"density_atomic": 0.07666704550239405,
"volume": 286.95510379766773,
"volume_molar": 7.85492739486348,
"formula_full": "Ta2 In6 O14",
"formula_reduced": "TaIn3O7",
"formula_anonymous": "AB3C7",
"energy": -160.86804885,
"energy_per_atom": -7.312184038636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.25004885,
"band_gap": 1.0756999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.762000Z",
"spacegroup": 20
},
{
"id": "mp-20914",
"created_at": "2022-09-04T14:41:16.645891Z",
"structure_string": "Nd2 In4 Ir2\n1.0\n2.214220 -5.207025 0.000000\n2.214220 5.207025 0.000000\n0.000000 0.000000 8.072912\nNd In Ir\n2 4 2\ndirect\n0.930036 0.069964 0.750000 Nd\n0.069964 0.930036 0.250000 Nd\n0.644949 0.355051 0.551494 In\n0.355051 0.644949 0.448506 In\n0.644949 0.355051 0.948506 In\n0.355051 0.644949 0.051494 In\n0.781485 0.218515 0.250000 Ir\n0.218515 0.781485 0.750000 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"In",
"Ir"
],
"chemical_system": "In-Ir-Nd",
"density": 10.099450990366607,
"density_atomic": 0.04297534193640806,
"volume": 186.1532599749374,
"volume_molar": 14.01301418127434,
"formula_full": "Nd2 In4 Ir2",
"formula_reduced": "NdIn2Ir",
"formula_anonymous": "ABC2",
"energy": -42.46225316,
"energy_per_atom": -5.307781645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.46225316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001632,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.132000Z",
"spacegroup": 63
},
{
"id": "mp-1213460",
"created_at": "2022-09-04T14:41:16.570280Z",
"structure_string": "Dy12 Ni6 Pb1\n1.0\n-4.845056 4.845056 4.845056\n4.845056 -4.845056 4.845056\n4.845056 4.845056 -4.845056\nDy Ni Pb\n12 6 1\ndirect\n0.812050 0.695147 0.507197 Dy\n0.187950 0.304853 0.492803 Dy\n0.187950 0.695147 0.883097 Dy\n0.812050 0.304853 0.116903 Dy\n0.695147 0.507197 0.812050 Dy\n0.304853 0.492803 0.187950 Dy\n0.695147 0.883097 0.187950 Dy\n0.304853 0.116903 0.812050 Dy\n0.507197 0.812050 0.695147 Dy\n0.492803 0.187950 0.304853 Dy\n0.116903 0.812050 0.304853 Dy\n0.883097 0.187950 0.695147 Dy\n0.875821 0.375821 0.500000 Ni\n0.124179 0.624179 0.500000 Ni\n0.375821 0.500000 0.875821 Ni\n0.624179 0.500000 0.124179 Ni\n0.500000 0.875821 0.375821 Ni\n0.500000 0.124179 0.624179 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Dy",
"Ni",
"Pb"
],
"chemical_system": "Dy-Ni-Pb",
"density": 9.15916205357229,
"density_atomic": 0.04176353065255842,
"volume": 454.9423792271276,
"volume_molar": 14.419616028395067,
"formula_full": "Dy12 Ni6 Pb1",
"formula_reduced": "Dy12Ni6Pb",
"formula_anonymous": "AB6C12",
"energy": -100.82076665,
"energy_per_atom": -5.306356139473684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.82076665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.240000Z",
"spacegroup": 204
},
{
"id": "mp-30537",
"created_at": "2022-09-04T14:41:17.442074Z",
"structure_string": "Tb4 P20 O56\n1.0\n9.017364 0.000000 0.000000\n0.000000 8.836341 0.000000\n0.000000 0.103289 13.009147\nTb P O\n4 20 56\ndirect\n0.688086 0.777225 0.501338 Tb\n0.188086 0.222775 0.998662 Tb\n0.311914 0.222775 0.498662 Tb\n0.811914 0.777225 0.001338 Tb\n0.502899 0.506267 0.329102 P\n0.002899 0.493733 0.170898 P\n0.497101 0.493733 0.670898 P\n0.997101 0.506267 0.829102 P\n0.454972 0.745605 0.165271 P\n0.954972 0.254395 0.334729 P\n0.545028 0.254395 0.834729 P\n0.045028 0.745605 0.665271 P\n0.244431 0.817130 0.000010 P\n0.744431 0.182870 0.499990 P\n0.755569 0.182870 0.999990 P\n0.255569 0.817130 0.500010 P\n0.450389 0.728246 0.835620 P\n0.950389 0.271754 0.664380 P\n0.549611 0.271754 0.164380 P\n0.049611 0.728246 0.335620 P\n0.494522 0.992232 0.700000 P\n0.994522 0.007768 0.800000 P\n0.505478 0.007768 0.300000 P\n0.005478 0.992232 0.200000 P\n0.384411 0.416135 0.380278 O\n0.884411 0.583865 0.119722 O\n0.615589 0.583865 0.619722 O\n0.115589 0.416135 0.880278 O\n0.623435 0.580725 0.388339 O\n0.123435 0.419275 0.111661 O\n0.376565 0.419275 0.611661 O\n0.876565 0.580725 0.888339 O\n0.420551 0.632829 0.256485 O\n0.920551 0.367171 0.243515 O\n0.579449 0.367171 0.743515 O\n0.079449 0.632829 0.756485 O\n0.596272 0.724095 0.109754 O\n0.096272 0.275905 0.390246 O\n0.403728 0.275905 0.890246 O\n0.903728 0.724095 0.609754 O\n0.309858 0.723481 0.099345 O\n0.809858 0.276519 0.400655 O\n0.690142 0.276519 0.900655 O\n0.081958 0.789072 0.999647 O\n0.190142 0.723481 0.599345 O\n0.810309 0.028077 0.505038 O\n0.689691 0.028077 0.005038 O\n0.189691 0.971923 0.494962 O\n0.117961 0.085820 0.145082 O\n0.617961 0.914180 0.354918 O\n0.882039 0.914180 0.854918 O\n0.382039 0.085820 0.645082 O\n0.884019 0.910633 0.146531 O\n0.384019 0.089367 0.353469 O\n0.115981 0.089367 0.853469 O\n0.615981 0.910633 0.646531 O\n0.097330 0.873545 0.271430 O\n0.597330 0.126455 0.228570 O\n0.902670 0.126455 0.728570 O\n0.402670 0.873545 0.771430 O\n0.927423 0.092223 0.288764 O\n0.427423 0.907777 0.211236 O\n0.072577 0.907777 0.711236 O\n0.572577 0.092223 0.788764 O\n0.902357 0.732812 0.384969 O\n0.402357 0.267188 0.115031 O\n0.097643 0.267188 0.615031 O\n0.597643 0.732812 0.884969 O\n0.185704 0.709079 0.410531 O\n0.685704 0.290921 0.089469 O\n0.814296 0.290921 0.589469 O\n0.314296 0.709079 0.910531 O\n0.082218 0.592124 0.261404 O\n0.582218 0.407876 0.238596 O\n0.917782 0.407876 0.738596 O\n0.417782 0.592124 0.761404 O\n0.418042 0.789072 0.499647 O\n0.918042 0.210928 0.000353 O\n0.581958 0.210928 0.500353 O\n0.310309 0.971923 0.994962 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Tb",
"P",
"O"
],
"chemical_system": "O-P-Tb",
"density": 3.446017652400245,
"density_atomic": 0.07717721410611769,
"volume": 1036.5753794896123,
"volume_molar": 7.803003554546078,
"formula_full": "Tb4 P20 O56",
"formula_reduced": "TbP5O14",
"formula_anonymous": "AB5C14",
"energy": -629.77724639,
"energy_per_atom": -7.872215579874999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -591.30524639,
"band_gap": 5.362,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.441000Z",
"spacegroup": 14
},
{
"id": "mp-1025408",
"created_at": "2022-09-04T14:41:17.443353Z",
"structure_string": "Tm2 Co2 Si4\n1.0\n1.979756 -8.098134 0.000000\n1.979756 8.098134 0.000000\n0.000000 0.000000 3.953696\nTm Co Si\n2 2 4\ndirect\n0.606913 0.393087 0.250000 Tm\n0.393087 0.606913 0.750000 Tm\n0.821985 0.178015 0.250000 Co\n0.178015 0.821985 0.750000 Co\n0.958230 0.041770 0.250000 Si\n0.041770 0.958230 0.750000 Si\n0.249680 0.750320 0.250000 Si\n0.750320 0.249680 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tm",
"Co",
"Si"
],
"chemical_system": "Co-Si-Tm",
"density": 7.440913616902836,
"density_atomic": 0.06310446532675755,
"volume": 126.77391304364386,
"volume_molar": 9.543129363060292,
"formula_full": "Tm2 Co2 Si4",
"formula_reduced": "TmCoSi2",
"formula_anonymous": "ABC2",
"energy": -50.68112009,
"energy_per_atom": -6.33514001125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.96512009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.090000Z",
"spacegroup": 63
},
{
"id": "mp-976867",
"created_at": "2022-09-04T14:41:18.785378Z",
"structure_string": "Pm6 I2\n1.0\n3.533448 -6.120111 0.000000\n3.533448 6.120111 0.000000\n0.000000 0.000000 5.781609\nPm I\n6 2\ndirect\n0.833519 0.166481 0.750000 Pm\n0.332962 0.166481 0.750000 Pm\n0.833519 0.667038 0.750000 Pm\n0.166481 0.833519 0.250000 Pm\n0.667038 0.833519 0.250000 Pm\n0.166481 0.332962 0.250000 Pm\n0.666667 0.333333 0.250000 I\n0.333333 0.666667 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"I"
],
"chemical_system": "I-Pm",
"density": 7.462852589601773,
"density_atomic": 0.031992875074472,
"volume": 250.05567587713992,
"volume_molar": 18.82338097461341,
"formula_full": "Pm6 I2",
"formula_reduced": "Pm3I",
"formula_anonymous": "AB3",
"energy": -33.24673515,
"energy_per_atom": -4.15584189375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.48873515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.676000Z",
"spacegroup": 194
}
]
}