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=10376",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=10374",
"results": [
{
"id": "mp-983365",
"created_at": "2022-09-04T14:44:56.779844Z",
"structure_string": "K3 Hg1\n1.0\n-2.942159 2.942159 5.946657\n2.942159 -2.942159 5.946657\n2.942159 2.942159 -5.946657\nK Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 2.5636210992340356,
"density_atomic": 0.019426512074311803,
"volume": 205.90417799648694,
"volume_molar": 30.99959857417348,
"formula_full": "K3 Hg1",
"formula_reduced": "K3Hg",
"formula_anonymous": "AB3",
"energy": -3.86031069,
"energy_per_atom": -0.9650776725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.86031069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0390885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.473000Z",
"spacegroup": 139
},
{
"id": "mp-759014",
"created_at": "2022-09-04T14:44:56.875755Z",
"structure_string": "Li16 Mn4 O8 F12\n1.0\n-0.000020 0.000441 3.942996\n3.438466 -3.259030 1.971066\n14.275878 13.564276 0.001485\nLi Mn O F\n16 4 8 12\ndirect\n0.398117 0.198801 0.104331 Li\n0.898313 0.198568 0.354347 Li\n0.398406 0.198672 0.604336 Li\n0.898051 0.198726 0.854343 Li\n0.697275 0.600519 0.043502 Li\n0.197322 0.600578 0.293484 Li\n0.697675 0.600311 0.543502 Li\n0.197188 0.600610 0.793505 Li\n0.805870 0.383386 0.193398 Li\n0.306200 0.383042 0.443374 Li\n0.805840 0.383398 0.693405 Li\n0.305774 0.383297 0.943382 Li\n0.114363 0.766365 0.156694 Li\n0.614541 0.766171 0.406675 Li\n0.114442 0.766276 0.656695 Li\n0.614191 0.766363 0.906656 Li\n0.482976 0.028649 0.748655 Mn\n0.982933 0.028651 0.998638 Mn\n0.483240 0.028656 0.248604 Mn\n0.983359 0.028367 0.498626 Mn\n0.498435 0.997225 0.001181 O\n0.999903 0.996747 0.251080 O\n0.499195 0.996757 0.501000 O\n0.999274 0.997019 0.751111 O\n0.308908 0.377894 0.202648 O\n0.808831 0.377372 0.452549 O\n0.308893 0.377962 0.702665 O\n0.808513 0.377558 0.952518 O\n0.889228 0.217751 0.099563 F\n0.389091 0.217616 0.349632 F\n0.889324 0.217724 0.599553 F\n0.388701 0.217852 0.849615 F\n0.176580 0.641718 0.053739 F\n0.676990 0.642457 0.303757 F\n0.176609 0.641777 0.553770 F\n0.676788 0.642415 0.803786 F\n0.600305 0.796818 0.151533 F\n0.098087 0.797516 0.401405 F\n0.600496 0.796751 0.651541 F\n0.097944 0.797420 0.901377 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.10435352888043,
"density_atomic": 0.10888342175208734,
"volume": 367.3653836033416,
"volume_molar": 5.530815126026798,
"formula_full": "Li16 Mn4 O8 F12",
"formula_reduced": "Li4MnO2F3",
"formula_anonymous": "AB2C3D4",
"energy": -236.42583336,
"energy_per_atom": -5.910645834,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.71383336,
"band_gap": 0.9809,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0002115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.437000Z",
"spacegroup": 8
},
{
"id": "mp-818",
"created_at": "2022-09-04T14:44:57.182813Z",
"structure_string": "Si4 Rh4\n1.0\n3.110720 0.000000 0.000000\n0.000000 5.595494 0.000000\n0.000000 0.000000 6.438250\nSi Rh\n4 4\ndirect\n0.250000 0.684784 0.056218 Si\n0.750000 0.315216 0.943782 Si\n0.250000 0.184784 0.443782 Si\n0.750000 0.815216 0.556218 Si\n0.250000 0.502878 0.702653 Rh\n0.750000 0.497122 0.297347 Rh\n0.250000 0.002878 0.797347 Rh\n0.750000 0.997122 0.202653 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 7.763961158654332,
"density_atomic": 0.07138760215395994,
"volume": 112.06427668976177,
"volume_molar": 8.435835604916655,
"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"energy": -57.40156701,
"energy_per_atom": -7.17519587625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.68556701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.076000Z",
"spacegroup": 62
},
{
"id": "mp-1707",
"created_at": "2022-09-04T14:44:57.189751Z",
"structure_string": "Ba2 N12\n1.0\n4.442183 0.000000 0.000000\n0.000000 5.527773 0.000000\n0.000000 1.544728 9.684097\nBa N\n2 12\ndirect\n0.750000 0.170645 0.781228 Ba\n0.250000 0.829355 0.218772 Ba\n0.750000 0.708090 0.661893 N\n0.250000 0.291910 0.338107 N\n0.250000 0.859138 0.903747 N\n0.750000 0.140862 0.096253 N\n0.250000 0.648952 0.889997 N\n0.750000 0.351048 0.110003 N\n0.250000 0.440156 0.878458 N\n0.750000 0.559844 0.121542 N\n0.250000 0.221153 0.583149 N\n0.750000 0.778847 0.416851 N\n0.250000 0.256451 0.460544 N\n0.750000 0.743549 0.539456 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ba",
"N"
],
"chemical_system": "Ba-N",
"density": 3.0916234166464283,
"density_atomic": 0.05887382583722285,
"volume": 237.79667451386402,
"volume_molar": 10.228893187017098,
"formula_full": "Ba2 N12",
"formula_reduced": "BaN6",
"formula_anonymous": "AB6",
"energy": -110.78955134,
"energy_per_atom": -7.9135393814285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.45755134,
"band_gap": 3.8146,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0044344,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.301000Z",
"spacegroup": 11
},
{
"id": "mp-1071448",
"created_at": "2022-09-04T14:44:57.193488Z",
"structure_string": "Ce2 Ga2 Co2\n1.0\n2.178044 5.435475 0.000000\n-2.178044 5.435475 0.000000\n0.000000 0.837438 4.668173\nCe Ga Co\n2 2 2\ndirect\n0.126541 0.126541 0.685635 Ce\n0.873459 0.873459 0.314365 Ce\n0.412663 0.412663 0.808709 Ga\n0.587337 0.587337 0.191291 Ga\n0.194506 0.194506 0.137911 Co\n0.805494 0.805494 0.862089 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Co"
],
"chemical_system": "Ce-Co-Ga",
"density": 8.075740247978983,
"density_atomic": 0.05428378988161332,
"volume": 110.53023403644637,
"volume_molar": 11.093810460053717,
"formula_full": "Ce2 Ga2 Co2",
"formula_reduced": "CeGaCo",
"formula_anonymous": "ABC",
"energy": -35.50362449,
"energy_per_atom": -5.917270748333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.50362449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003231,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.592000Z",
"spacegroup": 12
},
{
"id": "mp-31295",
"created_at": "2022-09-04T14:44:55.170644Z",
"structure_string": "La12 Sn24 Pd16\n1.0\n4.685436 0.000000 0.000000\n0.000000 15.845293 0.000000\n0.000000 0.000000 17.114872\nLa Sn Pd\n12 24 16\ndirect\n0.250000 0.881966 0.141633 La\n0.750000 0.118034 0.858367 La\n0.750000 0.381966 0.358367 La\n0.250000 0.618034 0.641633 La\n0.250000 0.017211 0.350661 La\n0.750000 0.982789 0.649339 La\n0.750000 0.517211 0.149339 La\n0.250000 0.482789 0.850661 La\n0.250000 0.751370 0.384059 La\n0.750000 0.248630 0.615941 La\n0.750000 0.251370 0.115941 La\n0.250000 0.748630 0.884059 La\n0.250000 0.582288 0.025821 Sn\n0.750000 0.417712 0.974179 Sn\n0.750000 0.082288 0.474179 Sn\n0.250000 0.917712 0.525821 Sn\n0.250000 0.105709 0.171180 Sn\n0.750000 0.894291 0.828820 Sn\n0.750000 0.605709 0.328820 Sn\n0.250000 0.394291 0.671180 Sn\n0.250000 0.663348 0.189092 Sn\n0.750000 0.336652 0.810908 Sn\n0.750000 0.163348 0.310908 Sn\n0.250000 0.836652 0.689092 Sn\n0.250000 0.379593 0.206310 Sn\n0.750000 0.620407 0.793690 Sn\n0.750000 0.879593 0.293690 Sn\n0.250000 0.120407 0.706310 Sn\n0.250000 0.229862 0.442946 Sn\n0.750000 0.770138 0.557054 Sn\n0.750000 0.729862 0.057054 Sn\n0.250000 0.270138 0.942946 Sn\n0.250000 0.538334 0.447603 Sn\n0.750000 0.461666 0.552397 Sn\n0.750000 0.038334 0.052397 Sn\n0.250000 0.961666 0.947603 Sn\n0.250000 0.121301 0.011294 Pd\n0.750000 0.878699 0.988706 Pd\n0.750000 0.621301 0.488706 Pd\n0.250000 0.378699 0.511294 Pd\n0.250000 0.400285 0.047811 Pd\n0.750000 0.599715 0.952189 Pd\n0.750000 0.900285 0.452189 Pd\n0.250000 0.099715 0.547811 Pd\n0.250000 0.233547 0.282579 Pd\n0.750000 0.766453 0.717421 Pd\n0.750000 0.733547 0.217421 Pd\n0.250000 0.266453 0.782579 Pd\n0.250000 0.525351 0.290718 Pd\n0.750000 0.474649 0.709282 Pd\n0.750000 0.025351 0.209282 Pd\n0.250000 0.974649 0.790718 Pd\n",
"nsites": 52,
"nelements": 3,
"elements": [
"La",
"Sn",
"Pd"
],
"chemical_system": "La-Pd-Sn",
"density": 8.126799979473603,
"density_atomic": 0.040924125124321475,
"volume": 1270.6441455261815,
"volume_molar": 14.715380577362671,
"formula_full": "La12 Sn24 Pd16",
"formula_reduced": "La3(Sn3Pd2)2",
"formula_anonymous": "A3B4C6",
"energy": -281.16074339,
"energy_per_atom": -5.406937372884615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -281.16074339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001906,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.253000Z",
"spacegroup": 62
},
{
"id": "mp-1213518",
"created_at": "2022-09-04T14:44:55.198546Z",
"structure_string": "Cs2 Si4 Mo6 P12 O50\n1.0\n4.227995 -7.323102 0.000000\n4.227995 7.323102 0.000000\n0.000000 0.000000 18.192954\nCs Si Mo P O\n2 4 6 12 50\ndirect\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.587810 Si\n0.000000 0.000000 0.412190 Si\n0.000000 0.000000 0.912190 Si\n0.000000 0.000000 0.087810 Si\n0.666667 0.333333 0.521120 Mo\n0.333333 0.666667 0.478880 Mo\n0.666667 0.333333 0.978880 Mo\n0.333333 0.666667 0.021120 Mo\n0.333333 0.666667 0.750000 Mo\n0.666667 0.333333 0.250000 Mo\n0.329636 0.378332 0.609172 P\n0.670364 0.621668 0.390828 P\n0.621668 0.951304 0.609172 P\n0.329636 0.951304 0.890828 P\n0.378332 0.048696 0.390828 P\n0.670364 0.048696 0.109172 P\n0.048696 0.670364 0.609172 P\n0.621668 0.670364 0.890828 P\n0.951304 0.329636 0.390828 P\n0.378332 0.329636 0.109172 P\n0.048696 0.378332 0.890828 P\n0.951304 0.621668 0.109172 P\n0.253172 0.443072 0.546407 O\n0.746828 0.556928 0.453593 O\n0.556928 0.810100 0.546407 O\n0.253172 0.810100 0.953593 O\n0.443072 0.189900 0.453593 O\n0.746828 0.189900 0.046407 O\n0.189900 0.746828 0.546407 O\n0.556928 0.746828 0.953593 O\n0.810100 0.253172 0.453593 O\n0.443072 0.253172 0.046407 O\n0.189900 0.443072 0.953593 O\n0.810100 0.556928 0.046407 O\n0.337809 0.460692 0.683697 O\n0.662191 0.539308 0.316303 O\n0.539308 0.877117 0.683697 O\n0.337809 0.877117 0.816303 O\n0.460692 0.122883 0.316303 O\n0.662191 0.122883 0.183697 O\n0.122883 0.662191 0.683697 O\n0.539308 0.662191 0.816303 O\n0.877117 0.337809 0.316303 O\n0.460692 0.337809 0.183697 O\n0.122883 0.460692 0.816303 O\n0.877117 0.539308 0.183697 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.597675 0.115329 0.589718 O\n0.402325 0.884671 0.410282 O\n0.884671 0.482346 0.589718 O\n0.597675 0.482346 0.910282 O\n0.115329 0.517654 0.410282 O\n0.402325 0.517654 0.089718 O\n0.517654 0.402325 0.589718 O\n0.884671 0.402325 0.910282 O\n0.482346 0.597675 0.410282 O\n0.115329 0.597675 0.089718 O\n0.517654 0.115329 0.910282 O\n0.482346 0.884671 0.089718 O\n0.835610 0.028541 0.619172 O\n0.164390 0.971459 0.380828 O\n0.971459 0.807069 0.619172 O\n0.835610 0.807069 0.880828 O\n0.028541 0.192931 0.380828 O\n0.164390 0.192931 0.119172 O\n0.192931 0.164390 0.619172 O\n0.971459 0.164390 0.880828 O\n0.807069 0.835610 0.380828 O\n0.028541 0.835610 0.119172 O\n0.192931 0.028541 0.880828 O\n0.807069 0.971459 0.119172 O\n",
"nsites": 74,
"nelements": 5,
"elements": [
"Cs",
"Si",
"Mo",
"P",
"O"
],
"chemical_system": "Cs-Mo-O-P-Si",
"density": 3.1328299792531586,
"density_atomic": 0.06568541593999977,
"volume": 1126.5818894653141,
"volume_molar": 9.16815502165795,
"formula_full": "Cs2 Si4 Mo6 P12 O50",
"formula_reduced": "CsSi2Mo3P6O25",
"formula_anonymous": "AB2C3D6E25",
"energy": -598.24218188,
"energy_per_atom": -8.084353809189189,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -544.68018188,
"band_gap": 1.3245000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1942844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.156000Z",
"spacegroup": 163
},
{
"id": "mp-17730",
"created_at": "2022-09-04T14:44:55.199826Z",
"structure_string": "K8 Sn4 O12\n1.0\n5.842665 0.000000 0.000000\n0.000000 7.135220 0.000000\n0.000000 0.000000 10.544657\nK Sn O\n8 4 12\ndirect\n0.235625 0.885060 0.911895 K\n0.764375 0.114940 0.088105 K\n0.235625 0.885060 0.588105 K\n0.735625 0.614940 0.911895 K\n0.264375 0.385060 0.088105 K\n0.764375 0.114940 0.411895 K\n0.735625 0.614940 0.588105 K\n0.264375 0.385060 0.411895 K\n0.727306 0.659912 0.250000 Sn\n0.227306 0.840088 0.250000 Sn\n0.772694 0.159912 0.750000 Sn\n0.272694 0.340088 0.750000 Sn\n0.989088 0.724355 0.121036 O\n0.489088 0.775645 0.378964 O\n0.510912 0.224355 0.878964 O\n0.010912 0.275645 0.621036 O\n0.010912 0.275645 0.878964 O\n0.510912 0.224355 0.621036 O\n0.489088 0.775645 0.121036 O\n0.989088 0.724355 0.378964 O\n0.347403 0.607511 0.750000 O\n0.652597 0.392489 0.250000 O\n0.152597 0.107511 0.250000 O\n0.847403 0.892489 0.750000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Sn",
"O"
],
"chemical_system": "K-O-Sn",
"density": 3.700458809074017,
"density_atomic": 0.0545959503428111,
"volume": 439.5930439767533,
"volume_molar": 11.030379949770328,
"formula_full": "K8 Sn4 O12",
"formula_reduced": "K2SnO3",
"formula_anonymous": "AB2C3",
"energy": -131.35600287,
"energy_per_atom": -5.47316678625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.11200287,
"band_gap": 2.1547,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002414,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.078000Z",
"spacegroup": 62
},
{
"id": "mp-865151",
"created_at": "2022-09-04T14:44:55.200617Z",
"structure_string": "Yb1 Nd1 Rh2\n1.0\n0.000000 3.444573 3.444573\n3.444573 0.000000 3.444573\n3.444573 3.444573 0.000000\nYb Nd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Nd",
"Rh"
],
"chemical_system": "Nd-Rh-Yb",
"density": 10.626538766780115,
"density_atomic": 0.04893547592283728,
"volume": 81.74029013853473,
"volume_molar": 12.306288324437402,
"formula_full": "Yb1 Nd1 Rh2",
"formula_reduced": "YbNdRh2",
"formula_anonymous": "ABC2",
"energy": -23.62631357,
"energy_per_atom": -5.9065783925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.62631357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.997000Z",
"spacegroup": 225
},
{
"id": "mp-556597",
"created_at": "2022-09-04T14:44:55.201691Z",
"structure_string": "In6 S8\n1.0\n0.000000 5.581436 5.581436\n5.581436 0.000000 5.581436\n5.581436 5.581436 0.000000\nIn S\n6 8\ndirect\n0.750000 0.750000 0.750000 In\n0.625000 0.125000 0.125000 In\n0.125000 0.125000 0.625000 In\n0.125000 0.125000 0.125000 In\n0.500000 0.500000 0.500000 In\n0.125000 0.625000 0.125000 In\n0.903751 0.365416 0.365416 S\n0.365416 0.903751 0.365416 S\n0.365416 0.365416 0.365416 S\n0.884584 0.884584 0.346249 S\n0.365416 0.365416 0.903751 S\n0.884584 0.346249 0.884584 S\n0.884584 0.884584 0.884584 S\n0.346249 0.884584 0.884584 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 4.514500593163077,
"density_atomic": 0.04025874128917008,
"volume": 347.75056426729645,
"volume_molar": 14.95859176705061,
"formula_full": "In6 S8",
"formula_reduced": "In3S4",
"formula_anonymous": "A3B4",
"energy": -60.33148832,
"energy_per_atom": -4.309392022857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.30748832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002655,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.260000Z",
"spacegroup": 227
},
{
"id": "mp-760",
"created_at": "2022-09-04T14:44:55.204766Z",
"structure_string": "Fe2 Se4\n1.0\n3.600591 0.000000 0.000000\n0.000000 4.808820 0.000000\n0.000000 0.000000 5.783169\nFe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.218251 0.367196 Se\n0.000000 0.781749 0.632804 Se\n0.500000 0.718251 0.132804 Se\n0.500000 0.281749 0.867196 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Se"
],
"chemical_system": "Fe-Se",
"density": 7.089857326606138,
"density_atomic": 0.059920172344248575,
"volume": 100.13322334136959,
"volume_molar": 10.050272761904084,
"formula_full": "Fe2 Se4",
"formula_reduced": "FeSe2",
"formula_anonymous": "AB2",
"energy": -34.94199009,
"energy_per_atom": -5.823665015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.05399009,
"band_gap": 0.3741000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.677000Z",
"spacegroup": 58
},
{
"id": "mp-1094215",
"created_at": "2022-09-04T14:44:55.224339Z",
"structure_string": "Mg3 Sn3\n1.0\n1.705358 5.789478 0.000000\n-1.705358 5.789478 0.000000\n0.000000 2.736616 7.499927\nMg Sn\n3 3\ndirect\n0.988029 0.988029 0.003599 Mg\n0.611414 0.611414 0.275146 Mg\n0.676907 0.676907 0.664744 Mg\n0.332081 0.332081 0.327228 Sn\n0.959246 0.959246 0.615963 Sn\n0.265655 0.265655 0.946652 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.810718445480955,
"density_atomic": 0.04051438470849407,
"volume": 148.09554786949698,
"volume_molar": 14.864203919990482,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -17.26253235,
"energy_per_atom": -2.877088725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.26253235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.432000Z",
"spacegroup": 8
}
]
}