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=136",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=134",
"results": [
{
"id": "mp-1018645",
"created_at": "2022-09-04T14:48:24.422537Z",
"structure_string": "Y1 Pt3 C1\n1.0\n4.324374 0.000000 0.000000\n0.000000 4.324374 0.000000\n0.000000 0.000000 4.324374\nY Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pt",
"C"
],
"chemical_system": "C-Pt-Y",
"density": 14.08997308589246,
"density_atomic": 0.06183014454479074,
"volume": 80.86670404559577,
"volume_molar": 9.739813491196783,
"formula_full": "Y1 Pt3 C1",
"formula_reduced": "YPt3C",
"formula_anonymous": "ABC3",
"energy": -35.21976828,
"energy_per_atom": -7.043953655999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.21976828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:44.028000Z",
"spacegroup": 221
},
{
"id": "mp-1018646",
"created_at": "2022-09-04T14:45:32.687371Z",
"structure_string": "Yb1 H3 Pd1\n1.0\n3.698691 0.000000 0.000000\n0.000000 3.698691 0.000000\n0.000000 0.000000 3.698691\nYb H Pd\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"H",
"Pd"
],
"chemical_system": "H-Pd-Yb",
"density": 9.270401064005416,
"density_atomic": 0.09881567752869391,
"volume": 50.59925838739616,
"volume_molar": 6.094317127210207,
"formula_full": "Yb1 H3 Pd1",
"formula_reduced": "YbH3Pd",
"formula_anonymous": "ABC3",
"energy": -19.78627739,
"energy_per_atom": -3.9572554779999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.78627739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.820000Z",
"spacegroup": 221
},
{
"id": "mp-1018647",
"created_at": "2022-09-04T14:43:56.753881Z",
"structure_string": "Yb1 Ni1 H3\n1.0\n3.470453 0.000000 0.000000\n0.000000 3.470453 0.000000\n0.000000 0.000000 3.470453\nYb Ni H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"H"
],
"chemical_system": "H-Ni-Yb",
"density": 9.326303705713832,
"density_atomic": 0.11962212217738713,
"volume": 41.79828871941865,
"volume_molar": 5.034303563909185,
"formula_full": "Yb1 Ni1 H3",
"formula_reduced": "YbNiH3",
"formula_anonymous": "ABC3",
"energy": -20.84272066,
"energy_per_atom": -4.168544132,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.30572066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001424,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.073000Z",
"spacegroup": 221
},
{
"id": "mp-1018648",
"created_at": "2022-09-04T14:40:43.132240Z",
"structure_string": "Au2 N4\n1.0\n2.947943 0.000000 0.000000\n0.000000 5.052980 0.000000\n0.000000 0.000000 6.166826\nAu N\n2 4\ndirect\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.082516 0.566221 N\n0.500000 0.917484 0.433779 N\n0.000000 0.417484 0.066221 N\n0.000000 0.582516 0.933779 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Au",
"N"
],
"chemical_system": "Au-N",
"density": 8.133820606952158,
"density_atomic": 0.06531649841490823,
"volume": 91.86040503712188,
"volume_molar": 9.219938156736017,
"formula_full": "Au2 N4",
"formula_reduced": "AuN2",
"formula_anonymous": "AB2",
"energy": -37.30966279,
"energy_per_atom": -6.2182771316666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.86566279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0102286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.566000Z",
"spacegroup": 58
},
{
"id": "mp-1018649",
"created_at": "2022-09-04T14:41:26.098572Z",
"structure_string": "B1 C5\n1.0\n1.275776 -2.209708 0.000000\n1.275776 2.209708 0.000000\n0.000000 0.000000 6.399657\nB C\n1 5\ndirect\n0.333333 0.666667 0.007586 B\n0.333333 0.666667 0.259511 C\n0.666667 0.333333 0.339033 C\n0.000000 0.000000 0.664563 C\n0.666667 0.333333 0.581364 C\n0.000000 0.000000 0.898942 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2612329021534134,
"density_atomic": 0.16628582939015887,
"volume": 36.08244925021309,
"volume_molar": 3.6215598058389946,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.27068012,
"energy_per_atom": -8.545113353333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.27068012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.621000Z",
"spacegroup": 156
},
{
"id": "mp-1018650",
"created_at": "2022-09-04T14:43:06.557309Z",
"structure_string": "Ba2 Cl1 F3\n1.0\n2.248829 -3.895086 0.000000\n2.248829 3.895086 0.000000\n0.000000 0.000000 7.500756\nBa Cl F\n2 1 3\ndirect\n0.666667 0.333333 0.201239 Ba\n0.333333 0.666667 0.798761 Ba\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 F\n0.666667 0.333333 0.835733 F\n0.333333 0.666667 0.164267 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F",
"density": 4.639034242288865,
"density_atomic": 0.0456607176038821,
"volume": 131.40397950052972,
"volume_molar": 13.188887682939075,
"formula_full": "Ba2 Cl1 F3",
"formula_reduced": "Ba2ClF3",
"formula_anonymous": "AB2C3",
"energy": -34.3561181,
"energy_per_atom": -5.726019683333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.3561181,
"band_gap": 5.7361,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.697000Z",
"spacegroup": 164
},
{
"id": "mp-1018651",
"created_at": "2022-09-04T14:48:14.004378Z",
"structure_string": "Ba2 H3 I1\n1.0\n2.268380 -3.928949 0.000000\n2.268380 3.928949 0.000000\n0.000000 0.000000 8.167979\nBa H I\n2 3 1\ndirect\n0.666667 0.333333 0.684470 Ba\n0.333333 0.666667 0.315530 Ba\n0.666667 0.333333 0.355946 H\n0.333333 0.666667 0.644054 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"I"
],
"chemical_system": "Ba-H-I",
"density": 4.614441627691099,
"density_atomic": 0.0412111222471392,
"volume": 145.59176437900837,
"volume_molar": 14.61290164311904,
"formula_full": "Ba2 H3 I1",
"formula_reduced": "Ba2H3I",
"formula_anonymous": "AB2C3",
"energy": -21.63120003,
"energy_per_atom": -3.605200005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.71520003,
"band_gap": 2.2391,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:35.580000Z",
"spacegroup": 164
},
{
"id": "mp-1018652",
"created_at": "2022-09-04T14:40:18.613249Z",
"structure_string": "K2 Cd2 Sb2\n1.0\n4.852242 0.000000 0.000000\n0.000000 4.852242 0.000000\n0.000000 0.000000 8.408167\nK Cd Sb\n2 2 2\ndirect\n0.000000 0.500000 0.342812 K\n0.500000 0.000000 0.657188 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.788254 Sb\n0.500000 0.000000 0.211746 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Cd",
"Sb"
],
"chemical_system": "Cd-K-Sb",
"density": 4.5844126601630215,
"density_atomic": 0.030308539983417628,
"volume": 197.9640062927054,
"volume_molar": 19.869451855136628,
"formula_full": "K2 Cd2 Sb2",
"formula_reduced": "KCdSb",
"formula_anonymous": "ABC",
"energy": -15.08637428,
"energy_per_atom": -2.5143957133333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.70237428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013829,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.510000Z",
"spacegroup": 129
},
{
"id": "mp-1018653",
"created_at": "2022-09-04T14:40:30.741913Z",
"structure_string": "Ba2 Mg2 Pb2\n1.0\n5.088415 0.000000 0.000000\n0.000000 5.088415 0.000000\n0.000000 0.000000 8.533223\nBa Mg Pb\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.648923 Mg\n0.000000 0.500000 0.351077 Mg\n0.500000 0.000000 0.305499 Pb\n0.000000 0.500000 0.694501 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Pb"
],
"chemical_system": "Ba-Mg-Pb",
"density": 5.544080697133141,
"density_atomic": 0.027156456886446363,
"volume": 220.94193013060428,
"volume_molar": 22.175723383876402,
"formula_full": "Ba2 Mg2 Pb2",
"formula_reduced": "BaMgPb",
"formula_anonymous": "ABC",
"energy": -14.50875848,
"energy_per_atom": -2.4181264133333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.50875848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.351000Z",
"spacegroup": 129
},
{
"id": "mp-1018654",
"created_at": "2022-09-04T14:40:40.349263Z",
"structure_string": "Ba2 Mg2 Sn2\n1.0\n5.002261 0.000000 0.000000\n0.000000 5.002261 0.000000\n0.000000 0.000000 8.441304\nBa Mg Sn\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.640638 Mg\n0.500000 0.000000 0.359362 Mg\n0.000000 0.500000 0.302619 Sn\n0.500000 0.000000 0.697381 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sn"
],
"chemical_system": "Ba-Mg-Sn",
"density": 4.407831900566198,
"density_atomic": 0.028405930071984806,
"volume": 211.22350103640744,
"volume_molar": 21.200294251020857,
"formula_full": "Ba2 Mg2 Sn2",
"formula_reduced": "BaMgSn",
"formula_anonymous": "ABC",
"energy": -15.354294760000002,
"energy_per_atom": -2.559049126666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.354294760000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043018,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.203000Z",
"spacegroup": 129
},
{
"id": "mp-1018655",
"created_at": "2022-09-04T14:47:07.319237Z",
"structure_string": "C2 N4\n1.0\n1.181500 -2.046418 0.000000\n1.181500 2.046418 0.000000\n0.000000 0.000000 10.686000\nC N\n2 4\ndirect\n0.000000 0.000000 0.926170 C\n0.000000 0.000000 0.073830 C\n0.666667 0.333333 0.466860 N\n0.333333 0.666667 0.533140 N\n0.666667 0.333333 0.878270 N\n0.333333 0.666667 0.121730 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.5723344227828013,
"density_atomic": 0.11611224223264026,
"volume": 51.674137753524,
"volume_molar": 5.18648218672253,
"formula_full": "C2 N4",
"formula_reduced": "CN2",
"formula_anonymous": "AB2",
"energy": -48.22435781,
"energy_per_atom": -8.037392968333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.78035781,
"band_gap": 2.1408000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.875000Z",
"spacegroup": 164
},
{
"id": "mp-1018656",
"created_at": "2022-09-04T14:40:37.004992Z",
"structure_string": "Ca2 H3 Br1\n1.0\n1.951800 -3.380616 0.000000\n1.951800 3.380616 0.000000\n0.000000 0.000000 6.927280\nCa H Br\n2 3 1\ndirect\n0.666667 0.333333 0.183996 Ca\n0.333333 0.666667 0.816004 Ca\n0.666667 0.333333 0.854225 H\n0.333333 0.666667 0.145775 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 2.962348022942846,
"density_atomic": 0.06563377083183802,
"volume": 91.41635356244812,
"volume_molar": 9.175369148649835,
"formula_full": "Ca2 H3 Br1",
"formula_reduced": "Ca2H3Br",
"formula_anonymous": "AB2C3",
"energy": -22.458124400000003,
"energy_per_atom": -3.7430207333333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.3871244,
"band_gap": 1.5364999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.41e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.952000Z",
"spacegroup": 164
}
]
}