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&page=10135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10133",
"results": [
{
"id": "mp-9610",
"created_at": "2022-09-04T14:44:10.739512Z",
"structure_string": "Li2 C1 N2\n1.0\n-1.859369 1.859369 4.376202\n1.859369 -1.859369 4.376202\n1.859369 1.859369 -4.376202\nLi C N\n2 1 2\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 C\n0.141405 0.141405 0.000000 N\n0.858595 0.858595 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"C",
"N"
],
"chemical_system": "C-Li-N",
"density": 1.4791032335562377,
"density_atomic": 0.08261929423687688,
"volume": 60.5185513406173,
"volume_molar": 7.289024695289681,
"formula_full": "Li2 C1 N2",
"formula_reduced": "Li2CN2",
"formula_anonymous": "AB2C2",
"energy": -33.91420556,
"energy_per_atom": -6.782841112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.19220556,
"band_gap": 3.7395,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.099000Z",
"spacegroup": 139
},
{
"id": "mp-1112144",
"created_at": "2022-09-04T14:41:11.016581Z",
"structure_string": "Cs2 Na1 Pr1 I6\n1.0\n0.000000 6.292482 6.292482\n6.292482 0.000000 6.292482\n6.292482 6.292482 0.000000\nCs Na Pr I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.751351 0.248649 0.248649 I\n0.248649 0.248649 0.751351 I\n0.248649 0.751351 0.751351 I\n0.248649 0.751351 0.248649 I\n0.751351 0.248649 0.751351 I\n0.751351 0.751351 0.248649 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Pr",
"I"
],
"chemical_system": "Cs-I-Na-Pr",
"density": 3.9693024690124297,
"density_atomic": 0.02006799844210755,
"volume": 498.30579909840753,
"volume_molar": 30.008676636948913,
"formula_full": "Cs2 Na1 Pr1 I6",
"formula_reduced": "Cs2NaPrI6",
"formula_anonymous": "ABC2D6",
"energy": -33.91014859,
"energy_per_atom": -3.3910148589999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.63614859,
"band_gap": 3.1147,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.094000Z",
"spacegroup": 225
},
{
"id": "mp-1112016",
"created_at": "2022-09-04T14:40:36.921648Z",
"structure_string": "K2 Sc1 In1 I6\n1.0\n0.000000 6.202317 6.202317\n6.202317 0.000000 6.202317\n6.202317 6.202317 0.000000\nK Sc In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.766616 0.233384 0.233384 I\n0.233384 0.233384 0.766616 I\n0.233384 0.766616 0.766616 I\n0.233384 0.766616 0.233384 I\n0.766616 0.233384 0.766616 I\n0.766616 0.766616 0.233384 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"In",
"I"
],
"chemical_system": "I-In-K-Sc",
"density": 3.477726381309541,
"density_atomic": 0.020955987303205113,
"volume": 477.1905926126683,
"volume_molar": 28.737089180613047,
"formula_full": "K2 Sc1 In1 I6",
"formula_reduced": "K2ScInI6",
"formula_anonymous": "ABC2D6",
"energy": -33.90947997,
"energy_per_atom": -3.390947997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.63547997,
"band_gap": 1.9864,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.455000Z",
"spacegroup": 225
},
{
"id": "mp-1113442",
"created_at": "2022-09-04T14:40:43.157598Z",
"structure_string": "Cs2 Tl1 Ag1 Cl6\n1.0\n0.000000 5.386604 5.386604\n5.386604 0.000000 5.386604\n5.386604 5.386604 0.000000\nCs Tl Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.752110 0.247890 0.247890 Cl\n0.247890 0.247890 0.752110 Cl\n0.247890 0.752110 0.752110 Cl\n0.247890 0.752110 0.247890 Cl\n0.752110 0.247890 0.752110 Cl\n0.752110 0.752110 0.247890 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Tl",
"density": 4.200779178164053,
"density_atomic": 0.03199078201705355,
"volume": 312.5900453033386,
"volume_molar": 18.82461252991482,
"formula_full": "Cs2 Tl1 Ag1 Cl6",
"formula_reduced": "Cs2TlAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.90920668,
"energy_per_atom": -3.3909206679999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.22520668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.859000Z",
"spacegroup": 225
},
{
"id": "mp-3464",
"created_at": "2022-09-04T14:44:06.989573Z",
"structure_string": "Fe1 Si1 Ru2\n1.0\n0.000000 2.956275 2.956275\n2.956275 0.000000 2.956275\n2.956275 2.956275 0.000000\nFe Si Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Ru"
],
"chemical_system": "Fe-Ru-Si",
"density": 9.193008985424047,
"density_atomic": 0.07740972122228638,
"volume": 51.67309656772661,
"volume_molar": 7.779566525898064,
"formula_full": "Fe1 Si1 Ru2",
"formula_reduced": "FeSiRu2",
"formula_anonymous": "ABC2",
"energy": -33.90918573,
"energy_per_atom": -8.4772964325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.90918573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9095284,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.512000Z",
"spacegroup": 225
},
{
"id": "mp-1022451",
"created_at": "2022-09-04T14:39:18.350228Z",
"structure_string": "Sr2 Mg12 Co2\n1.0\n4.911276 0.000000 0.000000\n0.000000 6.045897 0.000000\n0.000000 0.000000 13.221867\nSr Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.198379 Sr\n0.500000 0.000000 0.698379 Sr\n0.500000 0.244747 0.442201 Mg\n0.500000 0.755253 0.442201 Mg\n0.000000 0.765132 0.077307 Mg\n0.000000 0.234868 0.077307 Mg\n0.000000 0.000000 0.290868 Mg\n0.000000 0.500000 0.368939 Mg\n0.500000 0.744747 0.942201 Mg\n0.500000 0.255253 0.942201 Mg\n0.000000 0.265132 0.577307 Mg\n0.000000 0.734868 0.577307 Mg\n0.000000 0.500000 0.790868 Mg\n0.000000 0.000000 0.868939 Mg\n0.500000 0.000000 0.102793 Co\n0.500000 0.500000 0.602793 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Sr",
"density": 2.473338918948665,
"density_atomic": 0.04075417568986457,
"volume": 392.59780695255597,
"volume_molar": 14.776745347097492,
"formula_full": "Sr2 Mg12 Co2",
"formula_reduced": "SrMg6Co",
"formula_anonymous": "ABC6",
"energy": -33.9088255,
"energy_per_atom": -2.11930159375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.9088255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3189267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.452000Z",
"spacegroup": 38
},
{
"id": "mp-570961",
"created_at": "2022-09-04T14:40:58.957945Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n2.123615 6.966770 0.000000\n-2.123615 6.966770 0.000000\n0.000000 0.309197 10.369089\nCd Bi Se I\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.714396 0.714396 0.684466 Bi\n0.285604 0.285604 0.315534 Bi\n0.643007 0.643007 0.441625 Se\n0.356993 0.356993 0.558375 Se\n0.080566 0.080566 0.740236 Se\n0.919434 0.919434 0.259764 Se\n0.361598 0.361598 0.924433 I\n0.638402 0.638402 0.075567 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-Cd-I-Se",
"density": 6.56188386061114,
"density_atomic": 0.032592835513386174,
"volume": 306.8158950421147,
"volume_molar": 18.476885073490006,
"formula_full": "Cd2 Bi2 Se4 I2",
"formula_reduced": "CdBiSe2I",
"formula_anonymous": "ABCD2",
"energy": -33.90639813,
"energy_per_atom": -3.390639813,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.26039813,
"band_gap": 1.2705000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004758,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.913000Z",
"spacegroup": 12
},
{
"id": "mp-1207732",
"created_at": "2022-09-04T14:42:47.723572Z",
"structure_string": "Y2 Cu1 Se2 O1\n1.0\n3.573987 0.000000 0.000000\n0.000000 3.573987 0.000000\n0.000000 0.000000 14.024593\nY Cu Se O\n2 1 2 1\ndirect\n0.500000 0.500000 0.644921 Y\n0.500000 0.500000 0.355079 Y\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.159090 Se\n0.500000 0.500000 0.840910 Se\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se-Y",
"density": 3.8493808098049858,
"density_atomic": 0.03349307691201771,
"volume": 179.1414988763582,
"volume_molar": 17.980255369846848,
"formula_full": "Y2 Cu1 Se2 O1",
"formula_reduced": "Y2CuSe2O",
"formula_anonymous": "ABC2D2",
"energy": -33.9059118,
"energy_per_atom": -5.650985299999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.2749118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6345267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.104000Z",
"spacegroup": 123
},
{
"id": "mp-20237",
"created_at": "2022-09-04T14:42:57.679501Z",
"structure_string": "Co2 Ni2 Sn2\n1.0\n2.129385 -3.688204 0.000000\n2.129385 3.688204 0.000000\n0.000000 0.000000 5.293475\nCo Ni Sn\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Sn"
],
"chemical_system": "Co-Ni-Sn",
"density": 9.439958397603052,
"density_atomic": 0.07216244897480478,
"volume": 83.14573694824125,
"volume_molar": 8.345255524937361,
"formula_full": "Co2 Ni2 Sn2",
"formula_reduced": "CoNiSn",
"formula_anonymous": "ABC",
"energy": -33.90373831,
"energy_per_atom": -5.650623051666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.90373831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9979027,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.971000Z",
"spacegroup": 194
},
{
"id": "mp-1225624",
"created_at": "2022-09-04T14:48:31.266068Z",
"structure_string": "Eu2 Mg1 Ga3\n1.0\n2.354877 5.471975 0.000000\n-2.354877 5.471975 0.000000\n0.000000 5.276825 5.543341\nEu Mg Ga\n2 1 3\ndirect\n0.953300 0.953300 0.798477 Eu\n0.045785 0.045785 0.201664 Eu\n0.336237 0.336237 0.597836 Mg\n0.669248 0.669248 0.397725 Ga\n0.654176 0.654176 0.788965 Ga\n0.341253 0.341253 0.215334 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Mg",
"Ga"
],
"chemical_system": "Eu-Ga-Mg",
"density": 6.246467036902943,
"density_atomic": 0.041998843058190294,
"volume": 142.86107814176862,
"volume_molar": 14.338825361584831,
"formula_full": "Eu2 Mg1 Ga3",
"formula_reduced": "Eu2MgGa3",
"formula_anonymous": "AB2C3",
"energy": -33.90251361,
"energy_per_atom": -5.650418935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.90251361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9671323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:00.386000Z",
"spacegroup": 8
},
{
"id": "mp-1027862",
"created_at": "2022-09-04T14:48:14.232300Z",
"structure_string": "Mg14 Fe1 Sb1\n1.0\n6.249621 -0.022239 0.000000\n-3.144070 5.445688 0.000000\n0.000000 0.000000 10.089090\nMg Fe Sb\n14 1 1\ndirect\n0.167393 0.333696 0.625000 Mg\n0.170595 0.835297 0.625000 Mg\n0.671936 0.336825 0.125000 Mg\n0.666257 0.330178 0.625000 Mg\n0.671936 0.835110 0.125000 Mg\n0.666257 0.836077 0.625000 Mg\n0.327959 0.173387 0.362763 Mg\n0.327959 0.173387 0.887237 Mg\n0.327959 0.654573 0.362763 Mg\n0.327959 0.654573 0.887237 Mg\n0.844281 0.172141 0.365225 Mg\n0.844281 0.172141 0.884775 Mg\n0.830962 0.665481 0.380244 Mg\n0.830962 0.665481 0.869756 Mg\n0.168004 0.334001 0.125000 Fe\n0.155301 0.827650 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"Sb"
],
"chemical_system": "Fe-Mg-Sb",
"density": 2.5096246780676132,
"density_atomic": 0.046693315788761965,
"volume": 342.6614651309651,
"volume_molar": 12.897222350290647,
"formula_full": "Mg14 Fe1 Sb1",
"formula_reduced": "Mg14FeSb",
"formula_anonymous": "ABC14",
"energy": -33.90224197,
"energy_per_atom": -2.118890123125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.71024197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1886795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.414000Z",
"spacegroup": 38
},
{
"id": "mp-985554",
"created_at": "2022-09-04T14:45:24.396200Z",
"structure_string": "Ac6 Nd2\n1.0\n3.942543 -6.828684 0.000000\n3.942543 6.828684 0.000000\n0.000000 0.000000 6.351256\nAc Nd\n6 2\ndirect\n0.831754 0.168246 0.750000 Ac\n0.336491 0.168246 0.750000 Ac\n0.831754 0.663509 0.750000 Ac\n0.168246 0.831754 0.250000 Ac\n0.663509 0.831754 0.250000 Ac\n0.168246 0.336491 0.250000 Ac\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Nd"
],
"chemical_system": "Ac-Nd",
"density": 8.014147796707542,
"density_atomic": 0.023393053732066526,
"volume": 341.9818588726546,
"volume_molar": 25.743286143719757,
"formula_full": "Ac6 Nd2",
"formula_reduced": "Ac3Nd",
"formula_anonymous": "AB3",
"energy": -33.90167802,
"energy_per_atom": -4.2377097525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.90167802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1839628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.373000Z",
"spacegroup": 194
}
]
}