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=152",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=150",
"results": [
{
"id": "mp-978489",
"created_at": "2022-09-04T14:43:42.335368Z",
"structure_string": "Si1 Pb1 O3\n1.0\n3.748178 0.000000 0.000000\n0.000000 3.748178 0.000000\n0.000000 0.000000 3.748178\nSi Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Si",
"Pb",
"O"
],
"chemical_system": "O-Pb-Si",
"density": 8.93326180430379,
"density_atomic": 0.09495315129327989,
"volume": 52.65754671539653,
"volume_molar": 6.342223167927871,
"formula_full": "Si1 Pb1 O3",
"formula_reduced": "SiPbO3",
"formula_anonymous": "ABC3",
"energy": -34.84172084,
"energy_per_atom": -6.968344168,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.78072084,
"band_gap": 1.1847999999999992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.236000Z",
"spacegroup": 221
},
{
"id": "mp-9784",
"created_at": "2022-09-04T14:48:18.414953Z",
"structure_string": "Ba3 B3 As3 O15\n1.0\n3.720060 -6.443334 0.000000\n3.720060 6.443334 0.000000\n0.000000 0.000000 7.201502\nBa B As O\n3 3 3 15\ndirect\n0.389744 0.389744 0.500000 Ba\n0.000000 0.610256 0.166667 Ba\n0.610256 0.000000 0.833333 Ba\n0.904497 0.904497 0.500000 B\n0.000000 0.095503 0.166667 B\n0.095503 0.000000 0.833333 B\n0.606474 0.000000 0.333333 As\n0.393526 0.393526 0.000000 As\n0.000000 0.606474 0.666667 As\n0.973948 0.973948 0.000000 O\n0.026052 0.000000 0.333333 O\n0.000000 0.026052 0.666667 O\n0.567308 0.150955 0.482758 O\n0.583647 0.432692 0.149425 O\n0.849045 0.416353 0.816091 O\n0.144084 0.822653 0.812443 O\n0.177347 0.321431 0.145777 O\n0.678569 0.855916 0.479110 O\n0.150955 0.567308 0.517242 O\n0.432692 0.583647 0.850575 O\n0.416353 0.849045 0.183909 O\n0.855916 0.678569 0.520890 O\n0.321431 0.177347 0.854223 O\n0.822653 0.144084 0.187557 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"As",
"O"
],
"chemical_system": "As-B-Ba-O",
"density": 4.373009578662192,
"density_atomic": 0.06951804840846966,
"volume": 345.23408739817245,
"volume_molar": 8.662701122758069,
"formula_full": "Ba3 B3 As3 O15",
"formula_reduced": "BaBAsO5",
"formula_anonymous": "ABCD5",
"energy": -177.04472714000002,
"energy_per_atom": -7.376863630833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.73972714,
"band_gap": 3.5436,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:58.988000Z",
"spacegroup": 152
},
{
"id": "mp-978304",
"created_at": "2022-09-04T14:39:20.696162Z",
"structure_string": "Mg3 Ta1\n1.0\n4.299131 0.000000 0.000000\n0.000000 4.299131 0.000000\n0.000000 0.000000 4.299131\nMg Ta\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ta"
],
"chemical_system": "Mg-Ta",
"density": 5.305255004084435,
"density_atomic": 0.050340549848535136,
"volume": 79.45880631092066,
"volume_molar": 11.962802905648514,
"formula_full": "Mg3 Ta1",
"formula_reduced": "Mg3Ta",
"formula_anonymous": "AB3",
"energy": -15.24429771,
"energy_per_atom": -3.8110744275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.24429771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.606000Z",
"spacegroup": 221
},
{
"id": "mp-978303",
"created_at": "2022-09-04T14:45:22.936404Z",
"structure_string": "Mg3 Re1\n1.0\n4.154727 0.000000 0.000000\n0.000000 4.154727 0.000000\n0.000000 0.000000 4.154727\nMg Re\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Re"
],
"chemical_system": "Mg-Re",
"density": 5.999649886645039,
"density_atomic": 0.055774092729417774,
"volume": 71.71788556750865,
"volume_molar": 10.797380047427737,
"formula_full": "Mg3 Re1",
"formula_reduced": "Mg3Re",
"formula_anonymous": "AB3",
"energy": -15.59682524,
"energy_per_atom": -3.89920631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59682524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8231121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.371000Z",
"spacegroup": 221
},
{
"id": "mp-9783",
"created_at": "2022-09-04T14:40:05.917033Z",
"structure_string": "Ba3 As2 O8\n1.0\n7.401241 -2.940736 0.000000\n7.401241 2.940736 0.000000\n6.232798 0.000000 4.957673\nBa As O\n3 2 8\ndirect\n0.793031 0.793031 0.793031 Ba\n0.206969 0.206969 0.206969 Ba\n0.000000 0.000000 0.000000 Ba\n0.592783 0.592783 0.592783 As\n0.407218 0.407218 0.407217 As\n0.672178 0.672178 0.672178 O\n0.327822 0.327822 0.327822 O\n0.726194 0.726194 0.245575 O\n0.245575 0.726194 0.726194 O\n0.726194 0.245575 0.726194 O\n0.754425 0.273806 0.273806 O\n0.273806 0.273806 0.754425 O\n0.273806 0.754425 0.273806 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"As",
"O"
],
"chemical_system": "As-Ba-O",
"density": 5.3078182535069836,
"density_atomic": 0.060238603409546676,
"volume": 215.80845610938826,
"volume_molar": 9.997145383761676,
"formula_full": "Ba3 As2 O8",
"formula_reduced": "Ba3(AsO4)2",
"formula_anonymous": "A2B3C8",
"energy": -89.65455335,
"energy_per_atom": -6.896504103846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.15855335,
"band_gap": 4.0639,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.569000Z",
"spacegroup": 166
},
{
"id": "mp-978294",
"created_at": "2022-09-04T14:40:52.227769Z",
"structure_string": "Mg3 Sn1\n1.0\n4.492035 0.000000 0.000000\n0.000000 4.492035 0.000000\n0.000000 0.000000 4.492035\nMg Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.5105233900424744,
"density_atomic": 0.04412966158573045,
"volume": 90.64198220122812,
"volume_molar": 13.64646938953026,
"formula_full": "Mg3 Sn1",
"formula_reduced": "Mg3Sn",
"formula_anonymous": "AB3",
"energy": -9.36553378,
"energy_per_atom": -2.341383445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.36553378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.128000Z",
"spacegroup": 221
},
{
"id": "mp-978293",
"created_at": "2022-09-04T14:41:59.079206Z",
"structure_string": "Mg3 Pb1\n1.0\n-2.283395 2.283395 4.667266\n2.283395 -2.283395 4.667266\n2.283395 2.283395 -4.667266\nMg Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 4.778601632633137,
"density_atomic": 0.0410937103370079,
"volume": 97.3384969912952,
"volume_molar": 14.654653256210405,
"formula_full": "Mg3 Pb1",
"formula_reduced": "Mg3Pb",
"formula_anonymous": "AB3",
"energy": -8.65778738,
"energy_per_atom": -2.164446845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.65778738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.730000Z",
"spacegroup": 139
},
{
"id": "mp-978292",
"created_at": "2022-09-04T14:47:07.403885Z",
"structure_string": "Mg3 P3\n1.0\n3.581321 -3.359429 0.000000\n3.581321 3.359429 0.000000\n0.430036 0.000000 4.891492\nMg P\n3 3\ndirect\n0.376893 0.623107 0.000000 Mg\n0.623107 0.000000 0.376893 Mg\n0.000000 0.376893 0.623107 Mg\n0.122515 0.122515 0.122515 P\n0.500000 0.500000 0.500000 P\n0.877485 0.877485 0.877485 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.339637646742672,
"density_atomic": 0.05097663815607376,
"volume": 117.70097474121314,
"volume_molar": 11.813530624679835,
"formula_full": "Mg3 P3",
"formula_reduced": "MgP",
"formula_anonymous": "AB",
"energy": -23.45275011,
"energy_per_atom": -3.908791685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.45275011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016737,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.083000Z",
"spacegroup": 155
},
{
"id": "mp-978291",
"created_at": "2022-09-04T14:47:24.583257Z",
"structure_string": "Mg3 Pa1\n1.0\n0.000000 3.632563 3.632563\n3.632563 0.000000 3.632563\n3.632563 3.632563 0.000000\nMg Pa\n3 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pa"
],
"chemical_system": "Mg-Pa",
"density": 5.264814109860884,
"density_atomic": 0.04172444133838083,
"volume": 95.86707147401737,
"volume_molar": 14.433124966637832,
"formula_full": "Mg3 Pa1",
"formula_reduced": "Mg3Pa",
"formula_anonymous": "AB3",
"energy": -12.90947802,
"energy_per_atom": -3.227369505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.90947802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0446051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.623000Z",
"spacegroup": 225
},
{
"id": "mp-978290",
"created_at": "2022-09-04T14:42:49.954178Z",
"structure_string": "Mg3 Os1\n1.0\n-2.117600 2.117600 3.855348\n2.117600 -2.117600 3.855348\n2.117600 2.117600 -3.855348\nMg Os\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Os"
],
"chemical_system": "Mg-Os",
"density": 6.318773477577429,
"density_atomic": 0.057842700147334954,
"volume": 69.15306494702592,
"volume_molar": 10.4112372774103,
"formula_full": "Mg3 Os1",
"formula_reduced": "Mg3Os",
"formula_anonymous": "AB3",
"energy": -15.37917012,
"energy_per_atom": -3.84479253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.37917012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.216000Z",
"spacegroup": 139
},
{
"id": "mp-978289",
"created_at": "2022-09-04T14:45:26.366345Z",
"structure_string": "Mg3 Np1\n1.0\n0.000000 3.664666 3.664666\n3.664666 0.000000 3.664666\n3.664666 3.664666 0.000000\nMg Np\n3 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Np"
],
"chemical_system": "Mg-Np",
"density": 5.228275951683173,
"density_atomic": 0.04063748282469673,
"volume": 98.43129352414192,
"volume_molar": 14.819177619781478,
"formula_full": "Mg3 Np1",
"formula_reduced": "Mg3Np",
"formula_anonymous": "AB3",
"energy": -16.26191248,
"energy_per_atom": -4.06547812,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.26191248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6185307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.264000Z",
"spacegroup": 225
},
{
"id": "mp-978288",
"created_at": "2022-09-04T14:41:20.206438Z",
"structure_string": "Mg3 Ni3\n1.0\n4.277236 -2.499604 0.000000\n4.277236 2.499604 0.000000\n2.816474 0.000000 4.075566\nMg Ni\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.380380 0.380380 0.380380 Mg\n0.619620 0.619620 0.619620 Mg\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 4.744470186034028,
"density_atomic": 0.0688492002298698,
"volume": 87.14698180904848,
"volume_molar": 8.746856521054156,
"formula_full": "Mg3 Ni3",
"formula_reduced": "MgNi",
"formula_anonymous": "AB",
"energy": -22.97257234,
"energy_per_atom": -3.8287620566666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.97257234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0159595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.809000Z",
"spacegroup": 166
}
]
}