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=37",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=35",
"results": [
{
"id": "mp-1197561",
"created_at": "2022-09-04T14:41:25.016905Z",
"structure_string": "B40 H52 Br4\n1.0\n7.812423 0.000000 0.000000\n0.000000 11.509398 0.000000\n0.000000 5.436937 11.547580\nB H Br\n40 52 4\ndirect\n0.847032 0.184094 0.142477 B\n0.347032 0.315906 0.857523 B\n0.152968 0.815906 0.857523 B\n0.652968 0.684094 0.142477 B\n0.972506 0.105838 0.269566 B\n0.472506 0.394162 0.730434 B\n0.027494 0.894162 0.730434 B\n0.527494 0.605838 0.269566 B\n0.760652 0.154107 0.280336 B\n0.260652 0.345893 0.719664 B\n0.239348 0.845893 0.719664 B\n0.739348 0.654107 0.280336 B\n0.622694 0.164385 0.166342 B\n0.122694 0.335615 0.833658 B\n0.377306 0.835615 0.833658 B\n0.877306 0.664385 0.166342 B\n0.968754 0.050430 0.157872 B\n0.468754 0.449570 0.842128 B\n0.031246 0.949570 0.842128 B\n0.531246 0.550430 0.157872 B\n0.980001 0.943326 0.308197 B\n0.480001 0.556674 0.691803 B\n0.019999 0.056674 0.691803 B\n0.519999 0.443326 0.308197 B\n0.827677 0.001294 0.378549 B\n0.327677 0.498706 0.621451 B\n0.172323 0.998706 0.621451 B\n0.672323 0.501294 0.378549 B\n0.595958 0.041391 0.310363 B\n0.095958 0.458609 0.689637 B\n0.404042 0.958609 0.689637 B\n0.904042 0.541391 0.310363 B\n0.558498 0.013434 0.185483 B\n0.058498 0.486566 0.814517 B\n0.441502 0.986566 0.814517 B\n0.941502 0.513434 0.185483 B\n0.735437 0.086787 0.091268 B\n0.235437 0.413213 0.908732 B\n0.264563 0.913213 0.908732 B\n0.764563 0.586787 0.091268 B\n0.900693 0.283018 0.070094 H\n0.400693 0.216982 0.929906 H\n0.099307 0.716982 0.929906 H\n0.599307 0.783018 0.070094 H\n0.091319 0.158966 0.288576 H\n0.591319 0.341034 0.711424 H\n0.908681 0.841034 0.711424 H\n0.408681 0.658966 0.288576 H\n0.743538 0.227671 0.323363 H\n0.243538 0.272329 0.676637 H\n0.256462 0.772329 0.676637 H\n0.756462 0.727671 0.323363 H\n0.528965 0.254204 0.122748 H\n0.028965 0.245796 0.877251 H\n0.471035 0.745796 0.877251 H\n0.971035 0.754204 0.122748 H\n0.086555 0.056774 0.096041 H\n0.586555 0.443226 0.903959 H\n0.913445 0.943226 0.903959 H\n0.413445 0.556774 0.096041 H\n0.840329 0.968613 0.479915 H\n0.340329 0.531387 0.520085 H\n0.159671 0.031387 0.520085 H\n0.659671 0.468613 0.479915 H\n0.480760 0.033069 0.374265 H\n0.980760 0.466931 0.625735 H\n0.519240 0.966931 0.625735 H\n0.019240 0.533069 0.374265 H\n0.428427 0.977483 0.160391 H\n0.928427 0.522517 0.839609 H\n0.571573 0.022517 0.839609 H\n0.071573 0.477483 0.160391 H\n0.722781 0.108139 0.991400 H\n0.222781 0.391861 0.008600 H\n0.277219 0.891861 0.008600 H\n0.777219 0.608139 0.991400 H\n0.929234 0.927914 0.212392 H\n0.429234 0.572086 0.787608 H\n0.070766 0.072086 0.787608 H\n0.570766 0.427914 0.212392 H\n0.829733 0.894657 0.363652 H\n0.329733 0.605343 0.636348 H\n0.170267 0.105343 0.636348 H\n0.670267 0.394657 0.363652 H\n0.587462 0.933315 0.296979 H\n0.087462 0.566685 0.703021 H\n0.412538 0.066685 0.703021 H\n0.912538 0.433315 0.296979 H\n0.686225 0.965025 0.146180 H\n0.186225 0.534975 0.853820 H\n0.313775 0.034975 0.853820 H\n0.813775 0.465025 0.146180 H\n0.155616 0.816822 0.385092 Br\n0.655616 0.683178 0.614908 Br\n0.844384 0.183178 0.614908 Br\n0.344384 0.316822 0.385092 Br\n",
"nsites": 96,
"nelements": 3,
"elements": [
"B",
"H",
"Br"
],
"chemical_system": "B-Br-H",
"density": 1.2865569287066942,
"density_atomic": 0.09245744653513982,
"volume": 1038.3155018618622,
"volume_molar": 6.513418859898102,
"formula_full": "B40 H52 Br4",
"formula_reduced": "B10H13Br",
"formula_anonymous": "AB10C13",
"energy": -472.15285257,
"energy_per_atom": -4.9182588809375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -460.70885257,
"band_gap": 3.3357,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013026,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.690000Z",
"spacegroup": 14
},
{
"id": "mp-5597",
"created_at": "2022-09-04T14:41:25.784064Z",
"structure_string": "Ca1 Fe2 P2\n1.0\n-1.915008 1.915008 4.969556\n1.915008 -1.915008 4.969556\n1.915008 1.915008 -4.969556\nCa Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.640747 0.640747 0.000000 P\n0.359253 0.359253 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"P"
],
"chemical_system": "Ca-Fe-P",
"density": 4.868177468422638,
"density_atomic": 0.06858848955126175,
"volume": 72.89852907845557,
"volume_molar": 8.780104066148251,
"formula_full": "Ca1 Fe2 P2",
"formula_reduced": "Ca(FeP)2",
"formula_anonymous": "AB2C2",
"energy": -33.99166579,
"energy_per_atom": -6.798333158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.99166579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.91e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.140000Z",
"spacegroup": 139
},
{
"id": "mp-1111511",
"created_at": "2022-09-04T14:41:25.775890Z",
"structure_string": "Na2 Cu1 Au1 Cl6\n1.0\n0.000000 4.945630 4.945630\n4.945630 0.000000 4.945630\n4.945630 4.945630 0.000000\nNa Cu Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.742546 0.257454 0.257454 Cl\n0.257454 0.257454 0.742546 Cl\n0.257454 0.742546 0.742546 Cl\n0.257454 0.742546 0.257454 Cl\n0.742546 0.257454 0.742546 Cl\n0.742546 0.742546 0.257454 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cu-Na",
"density": 3.563669119483666,
"density_atomic": 0.04133378136235974,
"volume": 241.93286146102315,
"volume_molar": 14.569537461878607,
"formula_full": "Na2 Cu1 Au1 Cl6",
"formula_reduced": "Na2CuAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.08021155,
"energy_per_atom": -3.308021155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.396211550000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.155000Z",
"spacegroup": 225
},
{
"id": "mp-1344",
"created_at": "2022-09-04T14:41:25.782411Z",
"structure_string": "Sm6 Se8\n1.0\n-4.425511 4.425511 4.425511\n4.425511 -4.425511 4.425511\n4.425511 4.425511 -4.425511\nSm Se\n6 8\ndirect\n0.875000 0.250000 0.125000 Sm\n0.125000 0.875000 0.250000 Sm\n0.375000 0.625000 0.750000 Sm\n0.250000 0.125000 0.875000 Sm\n0.750000 0.375000 0.625000 Sm\n0.625000 0.750000 0.375000 Sm\n0.500000 0.000000 0.647410 Se\n0.147410 0.500000 0.000000 Se\n0.352590 0.352590 0.352590 Se\n0.000000 0.147410 0.500000 Se\n0.852590 0.852590 0.852590 Se\n0.000000 0.647410 0.500000 Se\n0.500000 0.000000 0.147410 Se\n0.647410 0.500000 0.000000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Se"
],
"chemical_system": "Se-Sm",
"density": 7.346473082977031,
"density_atomic": 0.04038106517937911,
"volume": 346.69714475855886,
"volume_molar": 14.913278620186697,
"formula_full": "Sm6 Se8",
"formula_reduced": "Sm3Se4",
"formula_anonymous": "A3B4",
"energy": -85.66644183999999,
"energy_per_atom": -6.119031559999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.89044184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.928000Z",
"spacegroup": 220
},
{
"id": "mp-1208893",
"created_at": "2022-09-04T14:41:25.033970Z",
"structure_string": "Sn7 S2 I6\n1.0\n2.232991 7.331501 0.000000\n-2.232991 7.331501 0.000000\n0.000000 6.548885 16.745167\nSn S I\n7 2 6\ndirect\n0.600749 0.600749 0.052374 Sn\n0.399251 0.399251 0.947626 Sn\n0.625068 0.625068 0.526784 Sn\n0.374932 0.374932 0.473216 Sn\n0.000000 0.000000 0.000000 Sn\n0.780568 0.780568 0.278643 Sn\n0.219432 0.219432 0.721357 Sn\n0.804880 0.804880 0.419486 S\n0.195120 0.195120 0.580514 S\n0.249000 0.249000 0.119217 I\n0.751000 0.751000 0.880783 I\n0.446826 0.446826 0.240602 I\n0.553174 0.553174 0.759398 I\n0.886042 0.886042 0.625317 I\n0.113958 0.113958 0.374683 I\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sn",
"S",
"I"
],
"chemical_system": "I-S-Sn",
"density": 5.017047578068455,
"density_atomic": 0.027358476506755033,
"volume": 548.2761438231539,
"volume_molar": 22.011974089686916,
"formula_full": "Sn7 S2 I6",
"formula_reduced": "Sn7(SI3)2",
"formula_anonymous": "A2B6C7",
"energy": -53.87754443,
"energy_per_atom": -3.591836295333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.59754443,
"band_gap": 0.2026000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.582000Z",
"spacegroup": 12
},
{
"id": "mp-1113045",
"created_at": "2022-09-04T14:41:25.035935Z",
"structure_string": "Cs2 K1 In1 I6\n1.0\n0.000000 6.338563 6.338563\n6.338563 0.000000 6.338563\n6.338563 6.338563 0.000000\nCs K In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.767699 0.232301 0.232301 I\n0.232301 0.232301 0.767699 I\n0.232301 0.767699 0.767699 I\n0.232301 0.767699 0.232301 I\n0.767699 0.232301 0.767699 I\n0.767699 0.767699 0.232301 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"In",
"I"
],
"chemical_system": "Cs-I-In-K",
"density": 3.8508198512260634,
"density_atomic": 0.019633492945223496,
"volume": 509.333720082286,
"volume_molar": 30.672793561499653,
"formula_full": "Cs2 K1 In1 I6",
"formula_reduced": "Cs2KInI6",
"formula_anonymous": "ABC2D6",
"energy": -28.03776836,
"energy_per_atom": -2.803776836,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.76376836,
"band_gap": 1.2626,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0024352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.320000Z",
"spacegroup": 225
},
{
"id": "mp-1227725",
"created_at": "2022-09-04T14:41:25.040895Z",
"structure_string": "Ba1 Sr1\n1.0\n2.507813 -3.461988 0.000000\n2.507813 3.461988 0.000000\n0.000000 0.000000 6.797711\nBa Sr\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 3.1645787168993897,
"density_atomic": 0.016944025468980866,
"volume": 118.03570548576933,
"volume_molar": 35.541381657060356,
"formula_full": "Ba1 Sr1",
"formula_reduced": "BaSr",
"formula_anonymous": "AB",
"energy": -3.60324364,
"energy_per_atom": -1.80162182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.60324364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.559000Z",
"spacegroup": 65
},
{
"id": "mp-567413",
"created_at": "2022-09-04T14:41:24.216382Z",
"structure_string": "Tb3 In3 Pt3\n1.0\n3.865529 -6.695293 0.000000\n3.865529 6.695293 0.000000\n0.000000 0.000000 3.855008\nTb In Pt\n3 3 3\ndirect\n0.406213 0.000000 0.000000 Tb\n0.000000 0.406213 0.000000 Tb\n0.593787 0.593787 0.000000 Tb\n0.260935 0.260935 0.500000 In\n0.000000 0.739065 0.500000 In\n0.739065 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.500000 Pt\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"In",
"Pt"
],
"chemical_system": "In-Pt-Tb",
"density": 11.704408986108996,
"density_atomic": 0.045103340356305296,
"volume": 199.54176184961497,
"volume_molar": 13.351873081741994,
"formula_full": "Tb3 In3 Pt3",
"formula_reduced": "TbInPt",
"formula_anonymous": "ABC",
"energy": -49.29260225,
"energy_per_atom": -5.476955805555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.29260225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011868,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.379000Z",
"spacegroup": 189
},
{
"id": "mp-1025584",
"created_at": "2022-09-04T14:41:25.836052Z",
"structure_string": "W3 Se2 S4\n1.0\n1.616081 -2.799135 0.000000\n1.616081 2.799135 0.000000\n0.000000 0.000000 29.694536\nW Se S\n3 2 4\ndirect\n0.000000 0.000000 0.768638 W\n0.000000 0.000000 0.231362 W\n0.333333 0.666667 0.000000 W\n0.000000 0.000000 0.057764 Se\n0.000000 0.000000 0.942236 Se\n0.333333 0.666667 0.716228 S\n0.333333 0.666667 0.178948 S\n0.333333 0.666667 0.821052 S\n0.333333 0.666667 0.283772 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 5.177786093637958,
"density_atomic": 0.033500323531873634,
"volume": 268.65412184562985,
"volume_molar": 17.97636597231749,
"formula_full": "W3 Se2 S4",
"formula_reduced": "W3(SeS2)2",
"formula_anonymous": "A2B3C4",
"energy": -71.82934081,
"energy_per_atom": -7.981037867777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.87334081,
"band_gap": 0.9205,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.812000Z",
"spacegroup": 187
},
{
"id": "mp-1234053",
"created_at": "2022-09-04T14:41:25.067674Z",
"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.161478 0.061976 -4.560640\n0.004231 12.908353 -0.165630\n0.302901 -0.176314 14.042970\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.276667 0.820902 0.001865 K\n0.780806 0.359505 0.485431 K\n0.734011 0.170075 0.010011 K\n0.248011 0.689026 0.483240 K\n0.367938 0.166800 0.530455 Mg\n0.475817 0.921279 0.758864 Zn\n0.540345 0.435854 0.769142 Zn\n0.511589 0.064273 0.239621 Zn\n0.476160 0.577321 0.238580 Zn\n0.832747 0.266608 0.817020 H\n0.170787 0.764895 0.702194 H\n0.179746 0.733411 0.199839 H\n0.727342 0.238063 0.262952 H\n0.988459 0.343389 0.936017 H\n0.021348 0.840476 0.584852 H\n0.027377 0.660841 0.074780 H\n0.924828 0.178599 0.390350 H\n0.937085 0.167218 0.709666 H\n0.080588 0.636229 0.782506 H\n0.063073 0.854287 0.273954 H\n0.922903 0.349887 0.220585 H\n0.806608 0.093970 0.738116 H\n0.364791 0.650116 0.844368 H\n0.343992 0.859970 0.331057 H\n0.634346 0.371624 0.138122 H\n0.356255 0.433621 0.552609 Br\n0.720681 0.883894 0.974892 Br\n0.711645 0.613592 0.458754 Br\n0.279479 0.086347 0.018105 Br\n0.250500 0.391581 0.802506 Br\n0.707431 0.902016 0.684502 Br\n0.724355 0.601288 0.176453 Br\n0.231304 0.077111 0.286467 Br\n0.274904 0.090045 0.714329 Br\n0.741080 0.603383 0.852566 Br\n0.740499 0.900262 0.322445 Br\n0.269443 0.409241 0.174165 Br\n0.188531 0.810556 0.650919 O\n0.817587 0.317107 0.866712 O\n0.733545 0.194925 0.323323 O\n0.196048 0.688673 0.145155 O\n0.208611 0.689098 0.810701 O\n0.793447 0.165279 0.709832 O\n0.758091 0.314935 0.171644 O\n0.211051 0.810347 0.305847 O\n",
"nsites": 45,
"nelements": 6,
"elements": [
"K",
"Mg",
"Zn",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-K-Mg-O-Zn",
"density": 2.6917224053875617,
"density_atomic": 0.047204090398919506,
"volume": 953.3072159574976,
"volume_molar": 12.757667204488376,
"formula_full": "K4 Mg1 Zn4 H16 Br12 O8",
"formula_reduced": "K4MgZn4H16(Br3O2)4",
"formula_anonymous": "AB4C4D8E12F16",
"energy": -184.40916232,
"energy_per_atom": -4.097981384888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.50516232,
"band_gap": 0.8253999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.574000Z",
"spacegroup": 1
},
{
"id": "mp-1198572",
"created_at": "2022-09-04T14:41:25.068194Z",
"structure_string": "Yb2 Al2 B28\n1.0\n-2.947954 4.127493 5.222208\n2.947954 -4.127493 5.222208\n2.947954 4.127493 -5.222208\nYb Al B\n2 2 28\ndirect\n0.601377 0.250000 0.351377 Yb\n0.398623 0.750000 0.648623 Yb\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.631289 0.666683 0.964606 B\n0.368711 0.333317 0.035394 B\n0.202077 0.166683 0.035394 B\n0.797923 0.833317 0.964606 B\n0.770721 0.145533 0.625187 B\n0.229279 0.854467 0.374813 B\n0.020346 0.645533 0.374813 B\n0.979654 0.354467 0.625187 B\n0.921644 0.088926 0.832718 B\n0.078356 0.911074 0.167282 B\n0.756209 0.588926 0.167282 B\n0.243791 0.411074 0.832718 B\n0.398196 0.397245 0.675266 B\n0.601804 0.277070 0.999050 B\n0.221979 0.897245 0.999050 B\n0.778021 0.777070 0.675266 B\n0.601804 0.602755 0.324734 B\n0.398196 0.722930 0.000950 B\n0.778021 0.102755 0.000950 B\n0.221979 0.222930 0.324734 B\n0.032297 0.831429 0.704643 B\n0.967703 0.672346 0.799132 B\n0.626786 0.331429 0.799132 B\n0.373214 0.172346 0.704643 B\n0.967703 0.168571 0.295357 B\n0.032297 0.327654 0.200868 B\n0.373214 0.668571 0.200868 B\n0.626786 0.827654 0.295357 B\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Yb",
"Al",
"B"
],
"chemical_system": "Al-B-Yb",
"density": 4.591233837341237,
"density_atomic": 0.12590088223107196,
"volume": 254.16819511454142,
"volume_molar": 4.783239524046602,
"formula_full": "Yb2 Al2 B28",
"formula_reduced": "YbAlB14",
"formula_anonymous": "ABC14",
"energy": -204.27362946,
"energy_per_atom": -6.383550920625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.27362946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002283,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.925000Z",
"spacegroup": 74
},
{
"id": "mp-976892",
"created_at": "2022-09-04T14:41:26.231450Z",
"structure_string": "Na2 Te6 Mo6\n1.0\n4.671715 -8.091647 0.000000\n4.671715 8.091647 0.000000\n0.000000 0.000000 4.626381\nNa Te Mo\n2 6 6\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.384544 0.084215 0.250000 Te\n0.915785 0.300329 0.250000 Te\n0.699671 0.615456 0.250000 Te\n0.300329 0.384544 0.750000 Te\n0.084215 0.699671 0.750000 Te\n0.615456 0.915785 0.750000 Te\n0.139951 0.181496 0.250000 Mo\n0.041545 0.860049 0.250000 Mo\n0.818504 0.958455 0.250000 Mo\n0.181496 0.041545 0.750000 Mo\n0.958455 0.139951 0.750000 Mo\n0.860049 0.818504 0.750000 Mo\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Te",
"Mo"
],
"chemical_system": "Mo-Na-Te",
"density": 6.585816627945931,
"density_atomic": 0.04002610915578682,
"volume": 349.77169390884785,
"volume_molar": 15.045531247019403,
"formula_full": "Na2 Te6 Mo6",
"formula_reduced": "Na(TeMo)3",
"formula_anonymous": "AB3C3",
"energy": -92.27907604,
"energy_per_atom": -6.591362574285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.27907604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031154,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.754000Z",
"spacegroup": 176
}
]
}