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=id&page=72",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=70",
"results": [
{
"id": "mp-1013917",
"created_at": "2022-09-04T14:41:22.460354Z",
"structure_string": "Li2 Mn6 P6 O26\n1.0\n6.221271 0.000000 0.000000\n0.000000 7.509283 0.000000\n0.000000 1.722406 10.434499\nLi Mn P O\n2 6 6 26\ndirect\n0.750000 0.366482 0.130421 Li\n0.250000 0.633518 0.869579 Li\n0.250000 0.634582 0.197940 Mn\n0.750000 0.365418 0.802060 Mn\n0.250000 0.235487 0.450602 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.764513 0.549398 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.790068 0.472518 P\n0.750000 0.209932 0.527482 P\n0.250000 0.270549 0.769716 P\n0.750000 0.729451 0.230284 P\n0.750000 0.694168 0.876376 P\n0.250000 0.305832 0.123624 P\n0.750000 0.645898 0.738051 O\n0.554645 0.261573 0.437370 O\n0.250000 0.219268 0.637129 O\n0.541903 0.793786 0.901640 O\n0.750000 0.340315 0.628725 O\n0.750000 0.129457 0.907112 O\n0.250000 0.659685 0.371275 O\n0.041903 0.206214 0.098360 O\n0.250000 0.984721 0.405064 O\n0.750000 0.015279 0.594936 O\n0.058437 0.389208 0.800157 O\n0.250000 0.870543 0.092888 O\n0.558437 0.610792 0.199843 O\n0.750000 0.496430 0.952390 O\n0.750000 0.780732 0.362871 O\n0.458097 0.206214 0.098360 O\n0.945355 0.261573 0.437370 O\n0.445355 0.738427 0.562630 O\n0.441563 0.389208 0.800157 O\n0.250000 0.354102 0.261949 O\n0.750000 0.906213 0.127901 O\n0.250000 0.093787 0.872099 O\n0.941563 0.610792 0.199843 O\n0.958097 0.793786 0.901640 O\n0.054645 0.738427 0.562630 O\n0.250000 0.503570 0.047610 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.220228369143178,
"density_atomic": 0.08205608607569129,
"volume": 487.47145901039755,
"volume_molar": 7.339054356607962,
"formula_full": "Li2 Mn6 P6 O26",
"formula_reduced": "LiMn3P3O13",
"formula_anonymous": "AB3C3D13",
"energy": -315.78862178,
"energy_per_atom": -7.8947155445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -287.91862178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.426000Z",
"spacegroup": 11
},
{
"id": "mp-1013922",
"created_at": "2022-09-04T14:41:23.214767Z",
"structure_string": "Li4 Cr8 P8 O36\n1.0\n6.325550 0.000000 0.000000\n0.000000 7.609371 0.000000\n0.000000 0.000000 13.892544\nLi Cr P O\n4 8 8 36\ndirect\n0.750000 0.946516 0.770647 Li\n0.750000 0.553484 0.270647 Li\n0.250001 0.446515 0.729353 Li\n0.250001 0.053484 0.229353 Li\n0.750000 0.351361 0.881553 Cr\n0.250001 0.648639 0.118447 Cr\n0.250001 0.851361 0.618447 Cr\n0.750000 0.148639 0.381553 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.250001 0.351402 0.935321 P\n0.750000 0.648598 0.064680 P\n0.750000 0.851402 0.564679 P\n0.250001 0.148599 0.435321 P\n0.750000 0.390717 0.693974 P\n0.750000 0.109283 0.193974 P\n0.250001 0.890717 0.806026 P\n0.250001 0.609282 0.306026 P\n0.045660 0.593882 0.366991 O\n0.545659 0.406117 0.633009 O\n0.954340 0.093882 0.133009 O\n0.454340 0.906118 0.866991 O\n0.954340 0.406117 0.633009 O\n0.454340 0.593882 0.366991 O\n0.045660 0.906118 0.866991 O\n0.545659 0.093882 0.133009 O\n0.250001 0.334898 0.485120 O\n0.750000 0.665103 0.514880 O\n0.750000 0.834897 0.014879 O\n0.250001 0.165103 0.985120 O\n0.750000 0.144179 0.951406 O\n0.250001 0.855821 0.048593 O\n0.250001 0.644179 0.548593 O\n0.750000 0.355822 0.451407 O\n0.750000 0.217011 0.755224 O\n0.250001 0.782989 0.244777 O\n0.250001 0.717011 0.744776 O\n0.750000 0.282990 0.255223 O\n0.440649 0.135882 0.368148 O\n0.940649 0.864118 0.631852 O\n0.559351 0.635881 0.131852 O\n0.059351 0.364118 0.868148 O\n0.559351 0.864118 0.631852 O\n0.059351 0.135882 0.368148 O\n0.440649 0.364118 0.868148 O\n0.940649 0.635881 0.131852 O\n0.750000 0.511412 0.984802 O\n0.250001 0.028362 0.722859 O\n0.250001 0.471637 0.222859 O\n0.750000 0.528362 0.777141 O\n0.750000 0.988588 0.484802 O\n0.250001 0.011412 0.515198 O\n0.250001 0.488587 0.015197 O\n0.750000 0.971638 0.277141 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.1475212923674953,
"density_atomic": 0.08374505925238397,
"volume": 668.6961654804232,
"volume_molar": 7.191040061063146,
"formula_full": "Li4 Cr8 P8 O36",
"formula_reduced": "LiCr2P2O9",
"formula_anonymous": "AB2C2D9",
"energy": -447.30461123,
"energy_per_atom": -7.987582343392857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -406.58061123,
"band_gap": 0.6364999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9997411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.151000Z",
"spacegroup": 62
},
{
"id": "mp-1013939",
"created_at": "2022-09-04T14:47:16.003310Z",
"structure_string": "Ti12 S12 F12\n1.0\n3.602216 0.000000 0.000000\n0.000000 8.999676 0.000000\n0.000000 0.000000 16.654418\nTi S F\n12 12 12\ndirect\n0.750000 0.919264 0.080330 Ti\n0.750000 0.419264 0.419670 Ti\n0.250000 0.080736 0.919670 Ti\n0.250000 0.580736 0.580330 Ti\n0.750000 0.920374 0.415599 Ti\n0.750000 0.420374 0.084401 Ti\n0.250000 0.079626 0.584401 Ti\n0.250000 0.579626 0.915599 Ti\n0.750000 0.727591 0.740191 Ti\n0.750000 0.227591 0.759809 Ti\n0.250000 0.272409 0.259809 Ti\n0.250000 0.772409 0.240191 Ti\n0.750000 0.676573 0.149213 S\n0.750000 0.176573 0.350787 S\n0.250000 0.323427 0.850787 S\n0.250000 0.823427 0.649213 S\n0.750000 0.664284 0.485985 S\n0.750000 0.164284 0.014015 S\n0.250000 0.335716 0.514015 S\n0.250000 0.835716 0.985985 S\n0.750000 0.992878 0.826629 S\n0.750000 0.492878 0.673371 S\n0.250000 0.007122 0.173371 S\n0.250000 0.507122 0.326629 S\n0.750000 0.066088 0.519119 F\n0.750000 0.566088 0.980881 F\n0.250000 0.933912 0.480881 F\n0.250000 0.433912 0.019119 F\n0.750000 0.092968 0.653668 F\n0.750000 0.592968 0.846332 F\n0.250000 0.907032 0.346332 F\n0.250000 0.407032 0.153668 F\n0.750000 0.776275 0.302624 F\n0.750000 0.276275 0.197376 F\n0.250000 0.223725 0.697376 F\n0.250000 0.723725 0.802624 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ti",
"S",
"F"
],
"chemical_system": "F-S-Ti",
"density": 3.651186664757206,
"density_atomic": 0.06667705578643006,
"volume": 539.9158612418311,
"volume_molar": 9.031803652652597,
"formula_full": "Ti12 S12 F12",
"formula_reduced": "TiSF",
"formula_anonymous": "ABC",
"energy": -253.3421129,
"energy_per_atom": -7.037280913888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -241.7621129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0083202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.152000Z",
"spacegroup": 62
},
{
"id": "mp-1013953",
"created_at": "2022-09-04T14:47:03.452840Z",
"structure_string": "Li4 Co8 P8 O36\n1.0\n6.060332 0.000000 0.000000\n0.000000 7.376807 0.000000\n0.000000 0.000000 13.613661\nLi Co P O\n4 8 8 36\ndirect\n0.750000 0.941985 0.774437 Li\n0.750000 0.558015 0.274437 Li\n0.250000 0.441985 0.725563 Li\n0.250000 0.058015 0.225563 Li\n0.750000 0.347471 0.877986 Co\n0.250000 0.652529 0.122014 Co\n0.250000 0.847471 0.622014 Co\n0.750000 0.152529 0.377986 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.250000 0.354344 0.936745 P\n0.750000 0.645656 0.063255 P\n0.750000 0.854344 0.563255 P\n0.250000 0.145656 0.436745 P\n0.750000 0.403468 0.694851 P\n0.750000 0.096532 0.194851 P\n0.250000 0.903468 0.805149 P\n0.250000 0.596532 0.305149 P\n0.036350 0.578349 0.366744 O\n0.536350 0.421651 0.633256 O\n0.963650 0.078349 0.133256 O\n0.463650 0.921651 0.866744 O\n0.963650 0.421651 0.633256 O\n0.463650 0.578349 0.366744 O\n0.036350 0.921651 0.866744 O\n0.536350 0.078349 0.133256 O\n0.250000 0.333609 0.493761 O\n0.750000 0.666391 0.506239 O\n0.750000 0.833609 0.006239 O\n0.250000 0.166391 0.993761 O\n0.750000 0.139888 0.958718 O\n0.250000 0.860112 0.041282 O\n0.250000 0.639888 0.541282 O\n0.750000 0.360112 0.458718 O\n0.750000 0.220648 0.754046 O\n0.250000 0.779352 0.245954 O\n0.250000 0.720648 0.745954 O\n0.750000 0.279352 0.254046 O\n0.444270 0.146085 0.364396 O\n0.944270 0.853915 0.635604 O\n0.555730 0.646085 0.135604 O\n0.055730 0.353915 0.864396 O\n0.555730 0.853915 0.635604 O\n0.055730 0.146085 0.364396 O\n0.444270 0.353915 0.864396 O\n0.944270 0.646085 0.135604 O\n0.750000 0.488030 0.993239 O\n0.250000 0.039272 0.717207 O\n0.250000 0.460728 0.217207 O\n0.750000 0.539272 0.782793 O\n0.750000 0.011970 0.493239 O\n0.250000 0.988030 0.506761 O\n0.250000 0.511970 0.006761 O\n0.750000 0.960728 0.282793 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.6096785938014446,
"density_atomic": 0.09201280228288013,
"volume": 608.6109607643082,
"volume_molar": 6.544894417502681,
"formula_full": "Li4 Co8 P8 O36",
"formula_reduced": "LiCo2P2O9",
"formula_anonymous": "AB2C2D9",
"energy": -400.04498289,
"energy_per_atom": -7.143660408750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -362.20898289,
"band_gap": 0.0478,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0004024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.640000Z",
"spacegroup": 62
},
{
"id": "mp-1013987",
"created_at": "2022-09-04T14:48:28.881981Z",
"structure_string": "Li4 Ni8 P8 O36\n1.0\n6.257591 0.000000 0.000000\n0.000000 7.437485 0.000000\n0.000000 0.000000 13.852848\nLi Ni P O\n4 8 8 36\ndirect\n0.750000 0.939352 0.777998 Li\n0.750000 0.560648 0.277998 Li\n0.250001 0.439351 0.722002 Li\n0.250001 0.060648 0.222002 Li\n0.750000 0.347938 0.879897 Ni\n0.250001 0.652062 0.120103 Ni\n0.250001 0.847938 0.620103 Ni\n0.750000 0.152062 0.379897 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.250001 0.362545 0.935042 P\n0.750000 0.637455 0.064959 P\n0.750000 0.862545 0.564958 P\n0.250001 0.137456 0.435042 P\n0.750000 0.399126 0.696248 P\n0.750000 0.100874 0.196248 P\n0.250001 0.899126 0.803752 P\n0.250001 0.600873 0.303752 P\n0.042775 0.580611 0.362045 O\n0.542774 0.419388 0.637955 O\n0.957225 0.080611 0.137955 O\n0.457225 0.919389 0.862045 O\n0.957225 0.419388 0.637955 O\n0.457225 0.580611 0.362045 O\n0.042775 0.919389 0.862045 O\n0.542774 0.080611 0.137955 O\n0.250001 0.314279 0.493850 O\n0.750000 0.685722 0.506150 O\n0.750000 0.814278 0.006149 O\n0.250001 0.185722 0.993850 O\n0.750000 0.135735 0.956331 O\n0.250001 0.864265 0.043668 O\n0.250001 0.635735 0.543668 O\n0.750000 0.364266 0.456332 O\n0.750000 0.218723 0.755122 O\n0.250001 0.781277 0.244879 O\n0.250001 0.718723 0.744878 O\n0.750000 0.281278 0.255121 O\n0.437984 0.135897 0.362256 O\n0.937984 0.864103 0.637744 O\n0.562016 0.635896 0.137744 O\n0.062016 0.364103 0.862256 O\n0.562016 0.864103 0.637744 O\n0.062016 0.135897 0.362256 O\n0.437984 0.364103 0.862256 O\n0.937984 0.635896 0.137744 O\n0.750000 0.469146 0.002383 O\n0.250001 0.037877 0.717285 O\n0.250001 0.462122 0.217285 O\n0.750000 0.537877 0.782715 O\n0.750000 0.030854 0.502383 O\n0.250001 0.969146 0.497617 O\n0.250001 0.530853 0.997616 O\n0.750000 0.962123 0.282715 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.4025598222156406,
"density_atomic": 0.08685917123079614,
"volume": 644.7217859263324,
"volume_molar": 6.933223831941002,
"formula_full": "Li4 Ni8 P8 O36",
"formula_reduced": "LiNi2P2O9",
"formula_anonymous": "AB2C2D9",
"energy": -382.61985267,
"energy_per_atom": -6.832497369107143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -337.55985267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7274792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:16.747000Z",
"spacegroup": 62
},
{
"id": "mp-1014",
"created_at": "2022-09-04T14:40:51.875841Z",
"structure_string": "Zr4 Mn8\n1.0\n2.465959 -4.271167 0.000000\n2.465959 4.271167 0.000000\n0.000000 0.000000 8.251413\nZr Mn\n4 8\ndirect\n0.333333 0.666667 0.064159 Zr\n0.666667 0.333333 0.564159 Zr\n0.666667 0.333333 0.935841 Zr\n0.333333 0.666667 0.435841 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169522 0.339043 0.750000 Mn\n0.830478 0.169522 0.250000 Mn\n0.830478 0.660957 0.250000 Mn\n0.169522 0.830478 0.750000 Mn\n0.660957 0.830478 0.750000 Mn\n0.339043 0.169522 0.250000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.684765669087496,
"density_atomic": 0.06903836877873115,
"volume": 173.81638952768643,
"volume_molar": 8.722889701089315,
"formula_full": "Zr4 Mn8",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy": -109.70767433,
"energy_per_atom": -9.142306194166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.70767433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2514615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.021000Z",
"spacegroup": 194
},
{
"id": "mp-10140",
"created_at": "2022-09-04T14:43:40.709771Z",
"structure_string": "Sc3 Tl1 B1\n1.0\n4.690238 0.000000 0.000000\n0.000000 4.690238 0.000000\n0.000000 0.000000 4.690238\nSc Tl B\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"B"
],
"chemical_system": "B-Sc-Tl",
"density": 5.633904342745025,
"density_atomic": 0.048460217765674364,
"volume": 103.17741501239456,
"volume_molar": 12.426978329151545,
"formula_full": "Sc3 Tl1 B1",
"formula_reduced": "Sc3TlB",
"formula_anonymous": "ABC3",
"energy": -29.82250083,
"energy_per_atom": -5.964500166,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.82250083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002718,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.823000Z",
"spacegroup": 221
},
{
"id": "mp-1014005",
"created_at": "2022-09-04T14:39:26.102757Z",
"structure_string": "Mn2 Si1 Rh1\n1.0\n0.000000 2.997343 2.997343\n2.997343 0.000000 2.997343\n2.997343 2.997343 0.000000\nMn Si Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Rh"
],
"chemical_system": "Mn-Rh-Si",
"density": 7.426552152078045,
"density_atomic": 0.07427123802882409,
"volume": 53.85664903616702,
"volume_molar": 8.108308033942905,
"formula_full": "Mn2 Si1 Rh1",
"formula_reduced": "Mn2SiRh",
"formula_anonymous": "ABC2",
"energy": -31.57013284,
"energy_per_atom": -7.89253321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.57013284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2410637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.059000Z",
"spacegroup": 225
},
{
"id": "mp-1014013",
"created_at": "2022-09-04T14:42:51.577922Z",
"structure_string": "P4\n1.0\n3.299918 0.000000 0.000000\n0.000000 4.600926 0.000000\n0.000000 0.000000 35.235589\nP\n4\ndirect\n0.000000 0.588557 0.970112 P\n0.000000 0.411443 0.029888 P\n0.500000 0.088557 0.029888 P\n0.500000 0.911443 0.970112 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3845679734918437,
"density_atomic": 0.007477046117149621,
"volume": 534.9706203931867,
"volume_molar": 80.54170946180741,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -21.47303725,
"energy_per_atom": -5.3682593125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47303725,
"band_gap": 0.8832,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.369000Z",
"spacegroup": 53
},
{
"id": "mp-10141",
"created_at": "2022-09-04T14:39:16.874104Z",
"structure_string": "Sm1 B2\n1.0\n1.667072 -2.887454 0.000000\n1.667072 2.887454 0.000000\n0.000000 0.000000 4.030790\nSm B\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"B"
],
"chemical_system": "B-Sm",
"density": 7.359401433589032,
"density_atomic": 0.07730928473514918,
"volume": 38.805170818454485,
"volume_molar": 7.7896733628192445,
"formula_full": "Sm1 B2",
"formula_reduced": "SmB2",
"formula_anonymous": "AB2",
"energy": -19.2472011,
"energy_per_atom": -6.4157337000000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.2472011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013874,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.151000Z",
"spacegroup": 191
},
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
},
{
"id": "mp-1014138",
"created_at": "2022-09-04T14:41:24.493716Z",
"structure_string": "Zr2 B2\n1.0\n1.806237 -3.128494 0.000000\n1.806237 3.128494 0.000000\n0.000000 0.000000 5.240557\nZr B\n2 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.232647 B\n0.000000 0.000000 0.767353 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 5.72151125337928,
"density_atomic": 0.06753711204916199,
"volume": 59.22669593997886,
"volume_molar": 8.916787492506831,
"formula_full": "Zr2 B2",
"formula_reduced": "ZrB",
"formula_anonymous": "AB",
"energy": -32.09195565,
"energy_per_atom": -8.0229889125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.09195565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.740000Z",
"spacegroup": 187
}
]
}