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=density_atomic&page=146",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=144",
"results": [
{
"id": "mp-1095976",
"created_at": "2022-09-04T14:46:29.467534Z",
"structure_string": "Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Mg",
"density": 0.380972637080476,
"density_atomic": 0.005045708074048951,
"volume": 792.752957820285,
"volume_molar": 119.35174749750247,
"formula_full": "Mg2 Ga1 Cu1",
"formula_reduced": "Mg2GaCu",
"formula_anonymous": "ABC2",
"energy": -4.87150231,
"energy_per_atom": -1.2178755775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.87150231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7452612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.829000Z",
"spacegroup": 71
},
{
"id": "mp-1179649",
"created_at": "2022-09-04T14:46:20.078373Z",
"structure_string": "Sn4 As3\n1.0\n6.088782 9.889709 0.000000\n-6.088782 9.889709 0.000000\n0.000000 5.685962 11.519340\nSn As\n4 3\ndirect\n0.270945 0.270945 0.728519 Sn\n0.729055 0.729055 0.271481 Sn\n0.574136 0.574136 0.425827 Sn\n0.425864 0.425864 0.574173 Sn\n0.000000 0.000000 0.000000 As\n0.873805 0.873805 0.125852 As\n0.126195 0.126195 0.874148 As\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sn",
"As"
],
"chemical_system": "As-Sn",
"density": 0.8373949692248355,
"density_atomic": 0.005045759069536665,
"volume": 1387.3036551154207,
"volume_molar": 119.35054125667939,
"formula_full": "Sn4 As3",
"formula_reduced": "Sn4As3",
"formula_anonymous": "A3B4",
"energy": -21.46886578,
"energy_per_atom": -3.066980825714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.46886578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9028679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.568000Z",
"spacegroup": 12
},
{
"id": "mp-1097350",
"created_at": "2022-09-04T14:41:57.492938Z",
"structure_string": "Ta1 Al1 Tc2\n1.0\n-4.751727 5.429262 7.677155\n4.751727 -5.429262 7.677155\n4.751727 5.429262 -7.677155\nTa Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Al\n0.000000 0.263839 0.263839 Tc\n0.000000 0.736161 0.736161 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Al",
"Tc"
],
"chemical_system": "Al-Ta-Tc",
"density": 0.8466462719872648,
"density_atomic": 0.005049023706438727,
"volume": 792.2323666056534,
"volume_molar": 119.2733706581792,
"formula_full": "Ta1 Al1 Tc2",
"formula_reduced": "TaAlTc2",
"formula_anonymous": "ABC2",
"energy": -22.20009086,
"energy_per_atom": -5.550022715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.20009086,
"band_gap": 0.3270999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2052786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.706000Z",
"spacegroup": 71
},
{
"id": "mp-1097082",
"created_at": "2022-09-04T14:43:55.118792Z",
"structure_string": "Hf1 Zr1 Rh2\n1.0\n-4.678761 5.503558 7.688855\n4.678761 -5.503558 7.688855\n4.678761 5.503558 -7.688855\nHf Zr Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.000000 0.250187 0.250187 Rh\n0.000000 0.749813 0.749813 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"Rh"
],
"chemical_system": "Hf-Rh-Zr",
"density": 0.9970716789813314,
"density_atomic": 0.005050843594519859,
"volume": 791.9469144401899,
"volume_molar": 119.2303948301625,
"formula_full": "Hf1 Zr1 Rh2",
"formula_reduced": "HfZrRh2",
"formula_anonymous": "ABC2",
"energy": -23.00380023,
"energy_per_atom": -5.7509500575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.00380023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046574,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.675000Z",
"spacegroup": 71
},
{
"id": "mp-1096295",
"created_at": "2022-09-04T14:42:40.263926Z",
"structure_string": "V1 Cr2 Mo1\n1.0\n-5.359261 5.555073 6.649447\n5.359261 -5.555073 6.649447\n5.359261 5.555073 -6.649447\nV Cr Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.755963 0.000000 0.755963 Cr\n0.244037 0.000000 0.244037 Cr\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"Mo"
],
"chemical_system": "Cr-Mo-V",
"density": 0.5260948299645901,
"density_atomic": 0.005051493433149662,
"volume": 791.8450361135986,
"volume_molar": 119.21505668958434,
"formula_full": "V1 Cr2 Mo1",
"formula_reduced": "VCr2Mo",
"formula_anonymous": "ABC2",
"energy": -22.73905129,
"energy_per_atom": -5.6847628225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.73905129,
"band_gap": 0.0481000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.000195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.101000Z",
"spacegroup": 71
},
{
"id": "mp-1093866",
"created_at": "2022-09-04T14:47:26.949847Z",
"structure_string": "Ta2 Re1 Pd1\n1.0\n-4.820414 5.393916 7.608369\n4.820414 -5.393916 7.608369\n4.820414 5.393916 -7.608369\nTa Re Pd\n2 1 1\ndirect\n0.000000 0.260633 0.260633 Ta\n0.000000 0.739367 0.739367 Ta\n0.000000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Re",
"Pd"
],
"chemical_system": "Pd-Re-Ta",
"density": 1.3735161612527396,
"density_atomic": 0.005054985505504691,
"volume": 791.2980157201538,
"volume_molar": 119.13270084438648,
"formula_full": "Ta2 Re1 Pd1",
"formula_reduced": "Ta2RePd",
"formula_anonymous": "ABC2",
"energy": -24.70927486,
"energy_per_atom": -6.177318715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.70927486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3698435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.360000Z",
"spacegroup": 71
},
{
"id": "mp-1096487",
"created_at": "2022-09-04T14:40:18.118057Z",
"structure_string": "Mn1 Tc2 W1\n1.0\n-4.942725 5.322170 7.520039\n4.942725 -5.322170 7.520039\n4.942725 5.322170 -7.520039\nMn Tc W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.273450 0.273450 Tc\n0.000000 0.726550 0.726550 Tc\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Tc",
"W"
],
"chemical_system": "Mn-Tc-W",
"density": 0.9123919142762095,
"density_atomic": 0.005055041395161512,
"volume": 791.2892669541033,
"volume_molar": 119.13138368687066,
"formula_full": "Mn1 Tc2 W1",
"formula_reduced": "MnTc2W",
"formula_anonymous": "ABC2",
"energy": -26.84094877,
"energy_per_atom": -6.7102371925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.84094877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6663018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.275000Z",
"spacegroup": 71
},
{
"id": "mp-1096189",
"created_at": "2022-09-04T14:39:44.369142Z",
"structure_string": "Li1 In1 Cu2\n1.0\n-5.124214 5.224271 7.387135\n5.124214 -5.224271 7.387135\n5.124214 5.224271 -7.387135\nLi In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 In\n0.000000 0.247625 0.247625 Cu\n0.000000 0.752375 0.752375 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Cu"
],
"chemical_system": "Cu-In-Li",
"density": 0.5223955933271716,
"density_atomic": 0.005056744472004715,
"volume": 791.0227661581296,
"volume_molar": 119.09126105422052,
"formula_full": "Li1 In1 Cu2",
"formula_reduced": "LiInCu2",
"formula_anonymous": "ABC2",
"energy": -7.67098875,
"energy_per_atom": -1.9177471875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.67098875,
"band_gap": 1.0218000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.776000Z",
"spacegroup": 71
},
{
"id": "mp-1097518",
"created_at": "2022-09-04T14:44:52.589623Z",
"structure_string": "Ta1 Cr2 Re1\n1.0\n-4.716459 5.392366 7.775270\n4.716459 -5.392366 7.775270\n4.716459 5.392366 -7.775270\nTa Cr Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.239991 0.239991 Cr\n0.000000 0.760009 0.760009 Cr\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Re"
],
"chemical_system": "Cr-Re-Ta",
"density": 0.9890874827593946,
"density_atomic": 0.005056955078392557,
"volume": 790.9898225300176,
"volume_molar": 119.08630127507963,
"formula_full": "Ta1 Cr2 Re1",
"formula_reduced": "TaCr2Re",
"formula_anonymous": "ABC2",
"energy": -25.40015703,
"energy_per_atom": -6.3500392575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.40015703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.112000Z",
"spacegroup": 71
},
{
"id": "mp-1096125",
"created_at": "2022-09-04T14:41:27.552480Z",
"structure_string": "Al1 V1 Cr2\n1.0\n-4.983998 5.443631 7.288202\n4.983998 -5.443631 7.288202\n4.983998 5.443631 -7.288202\nAl V Cr\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 V\n0.241833 0.000000 0.241833 Cr\n0.758167 0.000000 0.758167 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"V",
"Cr"
],
"chemical_system": "Al-Cr-V",
"density": 0.38191898502538574,
"density_atomic": 0.005057234138787591,
"volume": 790.9461753651276,
"volume_molar": 119.07973004081107,
"formula_full": "Al1 V1 Cr2",
"formula_reduced": "AlVCr2",
"formula_anonymous": "ABC2",
"energy": -19.46217603,
"energy_per_atom": -4.8655440075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.46217603,
"band_gap": 0.0487000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.003082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.692000Z",
"spacegroup": 71
},
{
"id": "mp-1096284",
"created_at": "2022-09-04T14:47:00.973104Z",
"structure_string": "Ta1 Ga1 Tc2\n1.0\n-4.749091 5.425196 7.673607\n4.749091 -5.425196 7.673607\n4.749091 5.425196 -7.673607\nTa Ga Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ga\n0.000000 0.264275 0.264275 Tc\n0.000000 0.735725 0.735725 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ga",
"Tc"
],
"chemical_system": "Ga-Ta-Tc",
"density": 0.9378886254390317,
"density_atomic": 0.005057949890575923,
"volume": 790.8342483686687,
"volume_molar": 119.06287903762308,
"formula_full": "Ta1 Ga1 Tc2",
"formula_reduced": "TaGaTc2",
"formula_anonymous": "ABC2",
"energy": -22.06417984,
"energy_per_atom": -5.51604496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.06417984,
"band_gap": 0.3097999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2878705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.302000Z",
"spacegroup": 71
},
{
"id": "mp-1097499",
"created_at": "2022-09-04T14:46:16.929396Z",
"structure_string": "Nb1 Cr2 W1\n1.0\n-5.138344 5.215197 7.376809\n5.138344 -5.215197 7.376809\n5.138344 5.215197 -7.376809\nNb Cr W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.221584 0.221584 Cr\n0.000000 0.778416 0.778416 Cr\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"W"
],
"chemical_system": "Cr-Nb-W",
"density": 0.7995646020578947,
"density_atomic": 0.005058684183746255,
"volume": 790.7194548440388,
"volume_molar": 119.04559646853163,
"formula_full": "Nb1 Cr2 W1",
"formula_reduced": "NbCr2W",
"formula_anonymous": "ABC2",
"energy": -24.43818532,
"energy_per_atom": -6.10954633,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.43818532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.2298045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.036000Z",
"spacegroup": 71
}
]
}