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=12",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=created_at&page=10",
"results": [
{
"id": "mp-1233269",
"created_at": "2022-09-04T14:39:05.494613Z",
"structure_string": "Mg1 Cu1 P4 Ru2 O14\n1.0\n4.982862 -0.118641 0.274295\n-1.985673 -6.512673 0.312995\n-0.156315 0.235110 -8.566573\nMg Cu P Ru O\n1 1 4 2 14\ndirect\n0.903921 0.884155 0.648606 Mg\n0.025013 0.159412 0.383922 Cu\n0.381190 0.723795 0.835119 P\n0.600401 0.261655 0.188680 P\n0.993257 0.663178 0.292603 P\n0.004501 0.328702 0.724360 P\n0.499140 0.493357 0.508654 Ru\n0.990646 0.992110 0.011229 Ru\n0.108102 0.843899 0.199920 O\n0.879287 0.132945 0.803358 O\n0.499913 0.741313 0.671726 O\n0.500887 0.247214 0.355129 O\n0.231282 0.484815 0.848525 O\n0.758884 0.498126 0.173881 O\n0.149428 0.837241 0.830714 O\n0.823538 0.137673 0.181917 O\n0.207570 0.556531 0.347931 O\n0.801776 0.441950 0.667145 O\n0.599128 0.785413 0.972472 O\n0.376968 0.201715 0.052095 O\n0.178756 0.256328 0.596058 O\n0.833633 0.726623 0.432517 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Mg",
"Cu",
"P",
"Ru",
"O"
],
"chemical_system": "Cu-Mg-O-P-Ru",
"density": 3.793087881251875,
"density_atomic": 0.07878238134541792,
"volume": 279.250253981813,
"volume_molar": 7.644019712473766,
"formula_full": "Mg1 Cu1 P4 Ru2 O14",
"formula_reduced": "MgCuP4(RuO7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -162.08171932,
"energy_per_atom": -7.367350878181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.46371932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0003877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.115000Z",
"spacegroup": 1
},
{
"id": "mp-1025450",
"created_at": "2022-09-04T14:39:05.497489Z",
"structure_string": "Ce2 Fe2 Si4\n1.0\n2.036073 -8.251360 0.000000\n2.036073 8.251360 0.000000\n0.000000 0.000000 4.022424\nCe Fe Si\n2 2 4\ndirect\n0.609839 0.390161 0.250000 Ce\n0.390161 0.609839 0.750000 Ce\n0.250298 0.749702 0.250000 Fe\n0.749702 0.250298 0.750000 Fe\n0.963546 0.036454 0.250000 Si\n0.036454 0.963546 0.750000 Si\n0.814683 0.185317 0.250000 Si\n0.185317 0.814683 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"Si"
],
"chemical_system": "Ce-Fe-Si",
"density": 6.195414084483441,
"density_atomic": 0.05919067107092989,
"volume": 135.1564335267186,
"volume_molar": 10.174138341468533,
"formula_full": "Ce2 Fe2 Si4",
"formula_reduced": "CeFeSi2",
"formula_anonymous": "ABC2",
"energy": -55.73227976,
"energy_per_atom": -6.96653497,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.01627976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.588000Z",
"spacegroup": 63
},
{
"id": "mp-676880",
"created_at": "2022-09-04T14:39:05.497769Z",
"structure_string": "Ce10 U1 S16\n1.0\n8.487559 0.000000 0.000000\n0.000000 8.487559 0.000000\n0.000000 0.000000 8.466998\nCe U S\n10 1 16\ndirect\n0.875178 0.755329 0.862306 Ce\n0.244671 0.875178 0.137694 Ce\n0.500000 0.000000 0.753372 Ce\n0.124822 0.244671 0.862306 Ce\n0.755329 0.124822 0.137694 Ce\n0.366477 0.245523 0.380341 Ce\n0.754477 0.366477 0.619659 Ce\n0.000000 0.500000 0.246628 Ce\n0.245523 0.633523 0.619659 Ce\n0.633523 0.754477 0.380341 Ce\n0.500000 0.500000 0.000000 U\n0.332653 0.921497 0.455679 S\n0.569224 0.819606 0.051890 S\n0.921063 0.818503 0.186783 S\n0.430776 0.180394 0.051890 S\n0.078937 0.181497 0.186783 S\n0.181497 0.921063 0.813217 S\n0.667347 0.078503 0.455679 S\n0.818503 0.078937 0.813217 S\n0.819606 0.430776 0.948110 S\n0.078503 0.332653 0.544321 S\n0.426048 0.328172 0.704580 S\n0.921497 0.667347 0.544321 S\n0.573952 0.671828 0.704580 S\n0.180394 0.569224 0.948110 S\n0.671828 0.426048 0.295420 S\n0.328172 0.573952 0.295420 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ce",
"U",
"S"
],
"chemical_system": "Ce-S-U",
"density": 5.859256204902534,
"density_atomic": 0.04426583842931225,
"volume": 609.9511713330829,
"volume_molar": 13.604488187017417,
"formula_full": "Ce10 U1 S16",
"formula_reduced": "Ce10US16",
"formula_anonymous": "AB10C16",
"energy": -197.58299678,
"energy_per_atom": -7.317888769629629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.53499678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.474000Z",
"spacegroup": 81
},
{
"id": "mp-1388646",
"created_at": "2022-09-04T14:39:05.498720Z",
"structure_string": "Zn2 Fe4 O8\n1.0\n5.202381 -0.012977 -2.985318\n-3.461326 4.908785 -0.019634\n-0.008244 0.009214 5.989486\nZn Fe O\n2 4 8\ndirect\n0.254517 0.127346 0.881605 Zn\n0.745481 0.872657 0.118424 Zn\n0.500029 0.000058 0.499989 Fe\n0.500034 0.499972 0.499997 Fe\n0.999994 0.499998 0.999994 Fe\n0.999920 0.499959 0.499955 Fe\n0.017976 0.735092 0.252311 O\n0.476156 0.738306 0.715777 O\n0.472689 0.736095 0.255419 O\n0.982195 0.717112 0.748729 O\n0.527296 0.263893 0.744567 O\n0.523909 0.261726 0.284317 O\n0.017798 0.282876 0.251252 O\n0.982009 0.264909 0.747666 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.244923546966088,
"density_atomic": 0.09170584537620402,
"volume": 152.66202435153323,
"volume_molar": 6.566801423939149,
"formula_full": "Zn2 Fe4 O8",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -100.2046983,
"energy_per_atom": -7.15747845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.6846983,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 19.9999991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.458000Z",
"spacegroup": 166
},
{
"id": "mp-997039",
"created_at": "2022-09-04T14:39:05.501139Z",
"structure_string": "Ag1 Pd1 O2\n1.0\n3.054430 0.000000 0.000000\n0.000000 3.407440 0.000000\n0.000000 0.000000 5.496320\nAg Pd O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.244620 O\n0.500000 0.000000 0.755380 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"O"
],
"chemical_system": "Ag-O-Pd",
"density": 7.149245035556582,
"density_atomic": 0.06992453511022734,
"volume": 57.20452761959014,
"volume_molar": 8.612342935861989,
"formula_full": "Ag1 Pd1 O2",
"formula_reduced": "AgPdO2",
"formula_anonymous": "ABC2",
"energy": -20.49142368,
"energy_per_atom": -5.12285592,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.11742368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.767000Z",
"spacegroup": 47
},
{
"id": "mp-19327",
"created_at": "2022-09-04T14:39:05.501617Z",
"structure_string": "Lu4 Ni4 O12\n1.0\n5.101045 0.000000 0.000000\n0.000000 5.629498 0.000000\n0.000000 0.000000 7.318465\nLu Ni O\n4 4 12\ndirect\n0.527141 0.587162 0.250000 Lu\n0.972859 0.087162 0.250000 Lu\n0.472859 0.412838 0.750000 Lu\n0.027141 0.912838 0.750000 Lu\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.379341 0.961331 0.250000 O\n0.120659 0.461331 0.250000 O\n0.620659 0.038669 0.750000 O\n0.879341 0.538669 0.750000 O\n0.805719 0.814613 0.058179 O\n0.694281 0.314613 0.441821 O\n0.194281 0.185387 0.558179 O\n0.305719 0.685387 0.941821 O\n0.194281 0.185387 0.941821 O\n0.305719 0.685387 0.558179 O\n0.805719 0.814613 0.441821 O\n0.694281 0.314613 0.058179 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"O"
],
"chemical_system": "Lu-Ni-O",
"density": 8.901911675674958,
"density_atomic": 0.09516585888470659,
"volume": 210.1594020627712,
"volume_molar": 6.328047506297212,
"formula_full": "Lu4 Ni4 O12",
"formula_reduced": "LuNiO3",
"formula_anonymous": "ABC3",
"energy": -151.29204781,
"energy_per_atom": -7.564602390500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.88404781,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0227036,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.910000Z",
"spacegroup": 62
},
{
"id": "mp-1225456",
"created_at": "2022-09-04T14:39:05.511453Z",
"structure_string": "Er1 Ti1 Fe11 N1\n1.0\n0.000000 0.000000 4.777524\n-4.309147 4.273705 2.388762\n-4.309147 -4.273705 -2.388762\nEr Ti Fe N\n1 1 11 1\ndirect\n0.006732 0.993268 0.006732 Er\n0.635015 0.364985 0.635015 Ti\n0.725829 0.774171 0.225829 Fe\n0.277445 0.222555 0.777445 Fe\n0.497388 0.780001 0.774777 Fe\n0.497388 0.225223 0.219999 Fe\n0.499961 0.997472 0.498579 Fe\n0.001146 0.997472 0.498579 Fe\n0.499961 0.501421 0.002528 Fe\n0.001146 0.501421 0.002528 Fe\n0.356984 0.643016 0.356984 Fe\n0.999822 0.359121 0.358764 Fe\n0.999822 0.641236 0.640879 Fe\n0.501361 0.998639 0.001361 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Er",
"Ti",
"Fe",
"N"
],
"chemical_system": "Er-Fe-N-Ti",
"density": 7.959178302112244,
"density_atomic": 0.07956083126052237,
"volume": 175.96598449502022,
"volume_molar": 7.56922805429278,
"formula_full": "Er1 Ti1 Fe11 N1",
"formula_reduced": "ErTiFe11N",
"formula_anonymous": "ABCD11",
"energy": -116.92269016,
"energy_per_atom": -8.351620725714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.56169016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.2651213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.873000Z",
"spacegroup": 44
},
{
"id": "mp-867173",
"created_at": "2022-09-04T14:39:05.512938Z",
"structure_string": "Sr1 In1 Hg2\n1.0\n0.000000 3.823966 3.823966\n3.823966 0.000000 3.823966\n3.823966 3.823966 0.000000\nSr In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sr",
"density": 8.96270737489626,
"density_atomic": 0.03576744591511047,
"volume": 111.83353738741918,
"volume_molar": 16.836932595894023,
"formula_full": "Sr1 In1 Hg2",
"formula_reduced": "SrInHg2",
"formula_anonymous": "ABC2",
"energy": -6.68346405,
"energy_per_atom": -1.6708660125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.68346405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.738000Z",
"spacegroup": 225
},
{
"id": "mp-1213435",
"created_at": "2022-09-04T14:39:05.513391Z",
"structure_string": "Er12 Nb8 Al86\n1.0\n5.557773 -9.626345 0.000000\n5.557773 9.626345 0.000000\n0.000000 0.000000 17.706464\nEr Nb Al\n12 8 86\ndirect\n0.530289 0.000000 0.596153 Er\n0.469711 0.000000 0.403847 Er\n0.000000 0.530289 0.596153 Er\n0.469711 0.000000 0.096153 Er\n0.000000 0.530289 0.903847 Er\n0.000000 0.469711 0.403847 Er\n0.530289 0.000000 0.903847 Er\n0.000000 0.469711 0.096153 Er\n0.469711 0.469711 0.596153 Er\n0.530289 0.530289 0.403847 Er\n0.530289 0.530289 0.096153 Er\n0.469711 0.469711 0.903847 Er\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.725587 0.000000 0.750000 Nb\n0.274413 0.000000 0.250000 Nb\n0.000000 0.725587 0.750000 Nb\n0.000000 0.274413 0.250000 Nb\n0.274413 0.274413 0.750000 Nb\n0.725587 0.725587 0.250000 Nb\n0.149952 0.595545 0.750000 Al\n0.850048 0.404455 0.250000 Al\n0.404455 0.554407 0.750000 Al\n0.595545 0.149952 0.750000 Al\n0.595545 0.445593 0.250000 Al\n0.404455 0.850048 0.250000 Al\n0.445593 0.850048 0.750000 Al\n0.554407 0.404455 0.750000 Al\n0.554407 0.149952 0.250000 Al\n0.445593 0.595545 0.250000 Al\n0.850048 0.445593 0.750000 Al\n0.149952 0.554407 0.250000 Al\n0.159124 0.000000 0.115248 Al\n0.840876 0.000000 0.884752 Al\n0.000000 0.159124 0.115248 Al\n0.840876 0.000000 0.615248 Al\n0.000000 0.159124 0.384752 Al\n0.000000 0.840876 0.884752 Al\n0.159124 0.000000 0.384752 Al\n0.000000 0.840876 0.615248 Al\n0.840876 0.840876 0.115248 Al\n0.159124 0.159124 0.884752 Al\n0.159124 0.159124 0.615248 Al\n0.840876 0.840876 0.384752 Al\n0.247222 0.494443 0.500000 Al\n0.752778 0.505557 0.500000 Al\n0.505557 0.752778 0.500000 Al\n0.752778 0.505557 0.000000 Al\n0.494443 0.247222 0.000000 Al\n0.494443 0.247222 0.500000 Al\n0.247222 0.494443 0.000000 Al\n0.505557 0.752778 0.000000 Al\n0.247222 0.752778 0.500000 Al\n0.752778 0.247222 0.500000 Al\n0.752778 0.247222 0.000000 Al\n0.247222 0.752778 0.000000 Al\n0.147116 0.000000 0.750000 Al\n0.852884 0.000000 0.250000 Al\n0.000000 0.147116 0.750000 Al\n0.000000 0.852884 0.250000 Al\n0.852884 0.852884 0.750000 Al\n0.147116 0.147116 0.250000 Al\n0.333333 0.666667 0.626263 Al\n0.666667 0.333333 0.373737 Al\n0.666667 0.333333 0.126263 Al\n0.666667 0.333333 0.873737 Al\n0.333333 0.666667 0.873737 Al\n0.333333 0.666667 0.126263 Al\n0.333333 0.666667 0.373737 Al\n0.666667 0.333333 0.626263 Al\n0.256909 0.000000 0.530285 Al\n0.743091 0.000000 0.469715 Al\n0.000000 0.256909 0.530285 Al\n0.743091 0.000000 0.030285 Al\n0.000000 0.256909 0.969715 Al\n0.000000 0.743091 0.469715 Al\n0.256909 0.000000 0.969715 Al\n0.000000 0.743091 0.030285 Al\n0.743091 0.743091 0.530285 Al\n0.256909 0.256909 0.469715 Al\n0.256909 0.256909 0.030285 Al\n0.743091 0.743091 0.969715 Al\n0.156765 0.394434 0.663483 Al\n0.843235 0.605566 0.336517 Al\n0.605566 0.762330 0.663483 Al\n0.843235 0.605566 0.163483 Al\n0.394434 0.156765 0.836517 Al\n0.394434 0.237670 0.336517 Al\n0.156765 0.394434 0.836517 Al\n0.605566 0.843235 0.163483 Al\n0.237670 0.843235 0.663483 Al\n0.394434 0.237670 0.163483 Al\n0.762330 0.605566 0.836517 Al\n0.762330 0.156765 0.336517 Al\n0.605566 0.762330 0.836517 Al\n0.237670 0.394434 0.163483 Al\n0.605566 0.843235 0.336517 Al\n0.394434 0.156765 0.663483 Al\n0.762330 0.156765 0.163483 Al\n0.237670 0.394434 0.336517 Al\n0.237670 0.843235 0.836517 Al\n0.762330 0.605566 0.663483 Al\n0.843235 0.237670 0.836517 Al\n0.156765 0.762330 0.163483 Al\n0.156765 0.762330 0.336517 Al\n0.843235 0.237670 0.663483 Al\n",
"nsites": 106,
"nelements": 3,
"elements": [
"Er",
"Nb",
"Al"
],
"chemical_system": "Al-Er-Nb",
"density": 4.444255952427968,
"density_atomic": 0.05594764388306068,
"volume": 1894.6284891202313,
"volume_molar": 10.7638862730077,
"formula_full": "Er12 Nb8 Al86",
"formula_reduced": "Er6Nb4Al43",
"formula_anonymous": "A4B6C43",
"energy": -492.43618967,
"energy_per_atom": -4.645624430849057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -492.43618967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4287487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.258000Z",
"spacegroup": 193
},
{
"id": "mp-561",
"created_at": "2022-09-04T14:39:05.514308Z",
"structure_string": "Nb6 Se8\n1.0\n5.086905 -8.810778 0.000000\n5.086905 8.810778 0.000000\n0.000000 0.000000 3.483239\nNb Se\n6 8\ndirect\n0.512656 0.892349 0.750000 Nb\n0.620307 0.512656 0.250000 Nb\n0.892349 0.379693 0.250000 Nb\n0.107651 0.620307 0.750000 Nb\n0.379693 0.487344 0.750000 Nb\n0.487344 0.107651 0.250000 Nb\n0.657847 0.719383 0.750000 Se\n0.938465 0.657847 0.250000 Se\n0.719383 0.061535 0.250000 Se\n0.280617 0.938465 0.750000 Se\n0.061535 0.342153 0.750000 Se\n0.342153 0.280617 0.250000 Se\n0.666667 0.333333 0.750000 Se\n0.333333 0.666667 0.250000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nb",
"Se"
],
"chemical_system": "Nb-Se",
"density": 6.324016540567271,
"density_atomic": 0.04483806682766292,
"volume": 312.23469231645544,
"volume_molar": 13.43086619489275,
"formula_full": "Nb6 Se8",
"formula_reduced": "Nb3Se4",
"formula_anonymous": "A3B4",
"energy": -104.45283813,
"energy_per_atom": -7.460917009285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.67683813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.42e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.004000Z",
"spacegroup": 176
},
{
"id": "mp-727209",
"created_at": "2022-09-04T14:39:05.516517Z",
"structure_string": "Ba2 Al2 O10\n1.0\n-5.799773 0.000000 0.000000\n1.904606 6.306911 0.000000\n-0.004580 -1.552405 -6.703054\nBa Al O\n2 2 10\ndirect\n0.267678 0.039755 0.266177 Ba\n0.732322 0.960245 0.733823 Ba\n0.368319 0.359249 0.838278 Al\n0.631681 0.640751 0.161722 Al\n0.135202 0.256671 0.001175 O\n0.864798 0.743329 0.998825 O\n0.174534 0.294432 0.604129 O\n0.825466 0.705568 0.395871 O\n0.545896 0.273706 0.631695 O\n0.454104 0.726294 0.368305 O\n0.239852 0.033803 0.734116 O\n0.760148 0.966197 0.265884 O\n0.462368 0.657027 0.931680 O\n0.537632 0.342973 0.068320 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Al",
"O"
],
"chemical_system": "Al-Ba-O",
"density": 3.3091159855622263,
"density_atomic": 0.05709888389806638,
"volume": 245.1886804826688,
"volume_molar": 10.546862475894974,
"formula_full": "Ba2 Al2 O10",
"formula_reduced": "BaAlO5",
"formula_anonymous": "ABC5",
"energy": -85.15431058,
"energy_per_atom": -6.0824507557142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.28431058,
"band_gap": 0.9824,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997268,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.110000Z",
"spacegroup": 2
},
{
"id": "mp-1214753",
"created_at": "2022-09-04T14:39:05.519923Z",
"structure_string": "Au2 S4\n1.0\n5.396146 0.000000 0.000000\n0.000000 5.396146 0.000000\n0.000000 0.000000 5.396146\nAu S\n2 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.250000 S\n0.750000 0.250000 0.750000 S\n0.250000 0.750000 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Au",
"S"
],
"chemical_system": "Au-S",
"density": 5.518603388852944,
"density_atomic": 0.038185648947884496,
"volume": 157.12709264647452,
"volume_molar": 15.770691152110508,
"formula_full": "Au2 S4",
"formula_reduced": "AuS2",
"formula_anonymous": "AB2",
"energy": -20.07309381,
"energy_per_atom": -3.345515635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.06109381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.069000Z",
"spacegroup": 224
}
]
}