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&page=12105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12103",
"results": [
{
"id": "mp-10173",
"created_at": "2022-09-04T14:48:14.019809Z",
"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5708714829216157,
"density_atomic": 0.049529872168447765,
"volume": 40.379672154172624,
"volume_molar": 12.158603477753998,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -3.81279734,
"energy_per_atom": -1.90639867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81279734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
},
{
"id": "mp-1097277",
"created_at": "2022-09-04T14:39:40.434259Z",
"structure_string": "Y1 Sc1 Cu2\n1.0\n-5.046120 5.145441 7.310265\n5.046120 -5.145441 7.310265\n5.046120 5.145441 -7.310265\nY Sc Cu\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.241664 0.000000 0.241664 Cu\n0.758336 0.000000 0.758336 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc-Y",
"density": 0.570741392982865,
"density_atomic": 0.0052684965810748845,
"volume": 759.2298748695241,
"volume_molar": 114.30472939153653,
"formula_full": "Y1 Sc1 Cu2",
"formula_reduced": "YScCu2",
"formula_anonymous": "ABC2",
"energy": -11.89091835,
"energy_per_atom": -2.9727295875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.89091835,
"band_gap": 0.0428000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.574000Z",
"spacegroup": 71
},
{
"id": "mp-696588",
"created_at": "2022-09-04T14:46:06.115847Z",
"structure_string": "P4 H12\n1.0\n7.318538 0.000000 0.000000\n-0.740834 7.337551 0.000000\n-0.591338 -2.581199 7.368170\nP H\n4 12\ndirect\n0.760146 0.323984 0.186371 P\n0.245880 0.079910 0.656296 P\n0.236496 0.808613 0.422591 P\n0.812228 0.689312 0.770280 P\n0.702517 0.997943 0.457508 H\n0.634458 0.449198 0.153239 H\n0.148972 0.687237 0.512163 H\n0.393498 0.940449 0.941175 H\n0.793078 0.018511 0.516894 H\n0.866012 0.346986 0.046379 H\n0.438583 0.138702 0.654699 H\n0.846642 0.521403 0.629296 H\n0.059522 0.828152 0.343790 H\n0.929504 0.647373 0.903121 H\n0.652603 0.589449 0.810810 H\n0.479859 0.932778 0.995389 H\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"H"
],
"chemical_system": "H-P",
"density": 0.5707185863796979,
"density_atomic": 0.04043755420858454,
"volume": 395.6718034297767,
"volume_molar": 14.892445593857289,
"formula_full": "P4 H12",
"formula_reduced": "PH3",
"formula_anonymous": "AB3",
"energy": -61.89714251,
"energy_per_atom": -3.868571406875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.74914251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.197000Z",
"spacegroup": 1
},
{
"id": "mp-1096576",
"created_at": "2022-09-04T14:41:55.772396Z",
"structure_string": "Al2 Cu1 Tc1\n1.0\n-4.793175 4.852266 6.743861\n4.793175 -4.852266 6.743861\n4.793175 4.852266 -6.743861\nAl Cu Tc\n2 1 1\ndirect\n0.247192 0.000000 0.247192 Al\n0.752808 0.000000 0.752808 Al\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Tc"
],
"chemical_system": "Al-Cu-Tc",
"density": 0.5703982400721648,
"density_atomic": 0.006375635841955928,
"volume": 627.3884047262137,
"volume_molar": 94.4555321113277,
"formula_full": "Al2 Cu1 Tc1",
"formula_reduced": "Al2CuTc",
"formula_anonymous": "ABC2",
"energy": -12.77391544,
"energy_per_atom": -3.19347886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.77391544,
"band_gap": 0.4899999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9856224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.190000Z",
"spacegroup": 71
},
{
"id": "mp-1097136",
"created_at": "2022-09-04T14:40:20.088759Z",
"structure_string": "Y2 Tl1 In1\n1.0\n-6.060767 6.550568 9.111632\n6.060767 -6.550568 9.111632\n6.060767 6.550568 -9.111632\nY Tl In\n2 1 1\ndirect\n0.000000 0.249561 0.249561 Y\n0.000000 0.750439 0.750439 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"In"
],
"chemical_system": "In-Tl-Y",
"density": 0.5703666655585983,
"density_atomic": 0.0027643770653827775,
"volume": 1446.9806055369397,
"volume_molar": 217.84802208833713,
"formula_full": "Y2 Tl1 In1",
"formula_reduced": "Y2TlIn",
"formula_anonymous": "ABC2",
"energy": -10.1561077,
"energy_per_atom": -2.539026925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.1561077,
"band_gap": 0.0811000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0015107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.192000Z",
"spacegroup": 71
},
{
"id": "mp-1096730",
"created_at": "2022-09-04T14:44:42.428668Z",
"structure_string": "Ti2 Nb1 Sn1\n1.0\n-4.883271 5.849626 7.831330\n4.883271 -5.849626 7.831330\n4.883271 5.849626 -7.831330\nTi Nb Sn\n2 1 1\ndirect\n0.000000 0.226720 0.226720 Ti\n0.000000 0.773280 0.773280 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Sn"
],
"chemical_system": "Nb-Sn-Ti",
"density": 0.5703591449548521,
"density_atomic": 0.004470185533342566,
"volume": 894.817445532068,
"volume_molar": 134.71791528744365,
"formula_full": "Ti2 Nb1 Sn1",
"formula_reduced": "Ti2NbSn",
"formula_anonymous": "ABC2",
"energy": -17.40652733,
"energy_per_atom": -4.3516318325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.40652733,
"band_gap": 0.2756000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3236598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.941000Z",
"spacegroup": 71
},
{
"id": "mp-1093782",
"created_at": "2022-09-04T14:43:17.598886Z",
"structure_string": "Y2 Cd1 Hg1\n1.0\n-6.269136 6.352019 8.973079\n6.269136 -6.352019 8.973079\n6.269136 6.352019 -8.973079\nY Cd Hg\n2 1 1\ndirect\n0.000000 0.253184 0.253184 Y\n0.000000 0.746816 0.746816 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Y",
"density": 0.5702219444984185,
"density_atomic": 0.002798588394633705,
"volume": 1429.2919986626125,
"volume_molar": 215.18494007719963,
"formula_full": "Y2 Cd1 Hg1",
"formula_reduced": "Y2CdHg",
"formula_anonymous": "ABC2",
"energy": -6.73652411,
"energy_per_atom": -1.6841310275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.73652411,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6486465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.044000Z",
"spacegroup": 71
},
{
"id": "mp-1096653",
"created_at": "2022-09-04T14:39:34.363138Z",
"structure_string": "Y2 Ag1 Pb1\n1.0\n-5.842950 6.613923 9.285546\n5.842950 -6.613923 9.285546\n5.842950 6.613923 -9.285546\nY Ag Pb\n2 1 1\ndirect\n0.000000 0.255946 0.255946 Y\n0.000000 0.744054 0.744054 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Y",
"density": 0.5702055807808621,
"density_atomic": 0.0027867707900334914,
"volume": 1435.353066820371,
"volume_molar": 216.09745521724895,
"formula_full": "Y2 Ag1 Pb1",
"formula_reduced": "Y2AgPb",
"formula_anonymous": "ABC2",
"energy": -12.1236985,
"energy_per_atom": -3.030924625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.1236985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.869000Z",
"spacegroup": 71
},
{
"id": "mp-1103107",
"created_at": "2022-09-04T14:45:54.823058Z",
"structure_string": "Li12\n1.0\n8.046617 2.787678 0.000000\n-8.046617 2.787678 0.000000\n0.000000 0.000000 5.406859\nLi\n12\ndirect\n0.755953 0.755953 0.597809 Li\n0.244047 0.244047 0.402191 Li\n0.744047 0.744047 0.097809 Li\n0.255953 0.255953 0.902191 Li\n0.781959 0.454821 0.753871 Li\n0.545179 0.218041 0.246129 Li\n0.045179 0.718041 0.253871 Li\n0.281959 0.954821 0.746129 Li\n0.218041 0.545179 0.246129 Li\n0.454821 0.781959 0.753871 Li\n0.954821 0.281959 0.746129 Li\n0.718041 0.045179 0.253871 Li\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5701923810387176,
"density_atomic": 0.04947095202537607,
"volume": 242.5665872337491,
"volume_molar": 12.173084433287134,
"formula_full": "Li12",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -22.24252073,
"energy_per_atom": -1.8535433941666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.24252073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.661000Z",
"spacegroup": 64
},
{
"id": "mp-1096150",
"created_at": "2022-09-04T14:42:44.574504Z",
"structure_string": "Sc1 Be2 Pt1\n1.0\n-4.677398 5.605407 7.166901\n4.677398 -5.605407 7.166901\n4.677398 5.605407 -7.166901\nSc Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.278355 0.278355 Be\n0.000000 0.721645 0.721645 Be\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Pt"
],
"chemical_system": "Be-Pt-Sc",
"density": 0.5701302870421455,
"density_atomic": 0.005321782455923524,
"volume": 751.6278677546682,
"volume_molar": 113.16022046893193,
"formula_full": "Sc1 Be2 Pt1",
"formula_reduced": "ScBe2Pt",
"formula_anonymous": "ABC2",
"energy": -10.70424216,
"energy_per_atom": -2.67606054,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.70424216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9561764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.464000Z",
"spacegroup": 71
},
{
"id": "mp-1097336",
"created_at": "2022-09-04T14:45:27.889433Z",
"structure_string": "V1 Cr2 Re1\n1.0\n-5.072761 5.840876 8.388215\n5.072761 -5.840876 8.388215\n5.072761 5.840876 -8.388215\nV Cr Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.275233 0.275233 Cr\n0.000000 0.724767 0.724767 Cr\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"Re"
],
"chemical_system": "Cr-Re-V",
"density": 0.5698108325996025,
"density_atomic": 0.004023537551131776,
"volume": 994.1500356756567,
"volume_molar": 149.67278628494566,
"formula_full": "V1 Cr2 Re1",
"formula_reduced": "VCr2Re",
"formula_anonymous": "ABC2",
"energy": -25.27551392,
"energy_per_atom": -6.31887848,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.27551392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.5535914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.619000Z",
"spacegroup": 71
},
{
"id": "mp-1096334",
"created_at": "2022-09-04T14:39:07.934947Z",
"structure_string": "Ti2 Ag1 Mo1\n1.0\n-4.982151 5.556345 7.886109\n4.982151 -5.556345 7.886109\n4.982151 5.556345 -7.886109\nTi Ag Mo\n2 1 1\ndirect\n0.000000 0.221649 0.221649 Ti\n0.000000 0.778351 0.778351 Ti\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"Mo"
],
"chemical_system": "Ag-Mo-Ti",
"density": 0.5696108536329587,
"density_atomic": 0.004580692456938443,
"volume": 873.2304204228208,
"volume_molar": 131.46791269250517,
"formula_full": "Ti2 Ag1 Mo1",
"formula_reduced": "Ti2AgMo",
"formula_anonymous": "ABC2",
"energy": -17.07153508,
"energy_per_atom": -4.26788377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.07153508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.740000Z",
"spacegroup": 71
}
]
}