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=157",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=155",
"results": [
{
"id": "mp-972036",
"created_at": "2022-09-04T14:48:24.896485Z",
"structure_string": "W2 N2\n1.0\n1.461787 -2.531889 0.000000\n1.461787 2.531889 0.000000\n0.000000 0.000000 6.452064\nW N\n2 2\ndirect\n0.666667 0.333333 0.842735 W\n0.333333 0.666667 0.342735 W\n0.666667 0.333333 0.532264 N\n0.333333 0.666667 0.032264 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 13.757847285639572,
"density_atomic": 0.08375342417875781,
"volume": 47.759241359047756,
"volume_molar": 7.190321851374982,
"formula_full": "W2 N2",
"formula_reduced": "WN",
"formula_anonymous": "AB",
"energy": -43.58513156,
"energy_per_atom": -10.89628289,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.86313156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:23.946000Z",
"spacegroup": 186
},
{
"id": "mp-865589",
"created_at": "2022-09-04T14:47:14.856072Z",
"structure_string": "Lu2 Ir1 Pd1\n1.0\n0.000000 3.395336 3.395336\n3.395336 0.000000 3.395336\n3.395336 3.395336 0.000000\nLu Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ir",
"Pd"
],
"chemical_system": "Ir-Lu-Pd",
"density": 13.75714621235794,
"density_atomic": 0.0510953903121482,
"volume": 78.28494851616739,
"volume_molar": 11.78607448384283,
"formula_full": "Lu2 Ir1 Pd1",
"formula_reduced": "Lu2IrPd",
"formula_anonymous": "ABC2",
"energy": -27.17170083,
"energy_per_atom": -6.7929252075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.17170083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.009657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.742000Z",
"spacegroup": 225
},
{
"id": "mp-867838",
"created_at": "2022-09-04T14:47:03.423293Z",
"structure_string": "Ac2 Au6\n1.0\n3.457651 -5.988828 0.000000\n3.457651 5.988828 0.000000\n0.000000 0.000000 4.768045\nAc Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.147049 0.294098 0.250000 Au\n0.705902 0.852951 0.250000 Au\n0.147049 0.852951 0.250000 Au\n0.852951 0.705902 0.750000 Au\n0.294098 0.147049 0.750000 Au\n0.852951 0.147049 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Au"
],
"chemical_system": "Ac-Au",
"density": 13.75579860727423,
"density_atomic": 0.04051320952868119,
"volume": 197.46645830013608,
"volume_molar": 14.864635090776124,
"formula_full": "Ac2 Au6",
"formula_reduced": "AcAu3",
"formula_anonymous": "AB3",
"energy": -33.39687901,
"energy_per_atom": -4.17460987625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.39687901,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.808000Z",
"spacegroup": 194
},
{
"id": "mp-865038",
"created_at": "2022-09-04T14:42:08.505745Z",
"structure_string": "Hf1 Ta1 Tc2\n1.0\n0.000000 3.224690 3.224690\n3.224690 0.000000 3.224690\n3.224690 3.224690 0.000000\nHf Ta Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ta",
"Tc"
],
"chemical_system": "Hf-Ta-Tc",
"density": 13.752785960008023,
"density_atomic": 0.059643906837568435,
"volume": 67.06468794697541,
"volume_molar": 10.096824771054035,
"formula_full": "Hf1 Ta1 Tc2",
"formula_reduced": "HfTaTc2",
"formula_anonymous": "ABC2",
"energy": -44.60330788,
"energy_per_atom": -11.15082697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.60330788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.007000Z",
"spacegroup": 225
},
{
"id": "mp-1018627",
"created_at": "2022-09-04T14:40:30.265037Z",
"structure_string": "Sc1 B1 Pt3\n1.0\n4.262156 0.000000 0.000000\n0.000000 4.262156 0.000000\n0.000000 0.000000 4.262156\nSc B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"B",
"Pt"
],
"chemical_system": "B-Pt-Sc",
"density": 13.747759183123577,
"density_atomic": 0.06457761184116483,
"volume": 77.4262140925559,
"volume_molar": 9.325431195585345,
"formula_full": "Sc1 B1 Pt3",
"formula_reduced": "ScBPt3",
"formula_anonymous": "ABC3",
"energy": -34.40572407,
"energy_per_atom": -6.881144814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.40572407,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.853000Z",
"spacegroup": 221
},
{
"id": "mp-1008",
"created_at": "2022-09-04T14:42:49.248878Z",
"structure_string": "Ni1 Hg1\n1.0\n3.152354 0.000000 0.000000\n0.000000 3.152354 0.000000\n0.000000 0.000000 3.152354\nNi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"Hg"
],
"chemical_system": "Hg-Ni",
"density": 13.744181000157882,
"density_atomic": 0.06384472946781142,
"volume": 31.326000073480454,
"volume_molar": 9.43247909451348,
"formula_full": "Ni1 Hg1",
"formula_reduced": "NiHg",
"formula_anonymous": "AB",
"energy": -5.64675591,
"energy_per_atom": -2.823377955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.64675591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.402000Z",
"spacegroup": 221
},
{
"id": "mp-510706",
"created_at": "2022-09-04T14:40:53.644594Z",
"structure_string": "Er8 Si18 Ir26\n1.0\n3.951377 0.000000 0.000000\n0.000000 11.006826 0.000000\n0.000000 0.000000 19.004731\nEr Si Ir\n8 18 26\ndirect\n0.500000 0.690880 0.207933 Er\n0.000000 0.809120 0.792067 Er\n0.000000 0.190880 0.792067 Er\n0.500000 0.309120 0.207933 Er\n0.500000 0.000000 0.519364 Er\n0.000000 0.500000 0.480636 Er\n0.500000 0.500000 0.021940 Er\n0.000000 0.000000 0.978060 Er\n0.000000 0.000000 0.397732 Si\n0.500000 0.500000 0.602268 Si\n0.500000 0.318558 0.414589 Si\n0.000000 0.181442 0.585411 Si\n0.000000 0.818558 0.585411 Si\n0.500000 0.681442 0.414589 Si\n0.000000 0.687824 0.080493 Si\n0.500000 0.812176 0.919507 Si\n0.500000 0.187824 0.919507 Si\n0.000000 0.312176 0.080493 Si\n0.500000 0.000000 0.102088 Si\n0.000000 0.500000 0.897912 Si\n0.500000 0.373430 0.729388 Si\n0.000000 0.126570 0.270612 Si\n0.000000 0.873430 0.270612 Si\n0.500000 0.626570 0.729388 Si\n0.500000 0.000000 0.732390 Si\n0.000000 0.500000 0.267610 Si\n0.000000 0.683839 0.335095 Ir\n0.500000 0.816161 0.664905 Ir\n0.500000 0.183839 0.664905 Ir\n0.000000 0.316161 0.335095 Ir\n0.000000 0.500000 0.142104 Ir\n0.500000 0.000000 0.857896 Ir\n0.500000 0.500000 0.342905 Ir\n0.000000 0.000000 0.657095 Ir\n0.000000 0.500000 0.772620 Ir\n0.500000 0.000000 0.227380 Ir\n0.500000 0.688779 0.538906 Ir\n0.000000 0.811221 0.461094 Ir\n0.000000 0.188779 0.461094 Ir\n0.500000 0.311221 0.538906 Ir\n0.000000 0.700398 0.953337 Ir\n0.500000 0.799602 0.046663 Ir\n0.500000 0.200398 0.046663 Ir\n0.000000 0.299602 0.953337 Ir\n0.000000 0.875081 0.143435 Ir\n0.500000 0.624919 0.856565 Ir\n0.500000 0.375081 0.856565 Ir\n0.000000 0.124919 0.143435 Ir\n0.500000 0.872249 0.355534 Ir\n0.000000 0.627751 0.644466 Ir\n0.000000 0.372249 0.644466 Ir\n0.500000 0.127751 0.355534 Ir\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Er",
"Si",
"Ir"
],
"chemical_system": "Er-Ir-Si",
"density": 13.743978072518093,
"density_atomic": 0.06291164601499664,
"volume": 826.5560241040972,
"volume_molar": 9.572378313809281,
"formula_full": "Er8 Si18 Ir26",
"formula_reduced": "Er4Si9Ir13",
"formula_anonymous": "A4B9C13",
"energy": -415.65631474,
"energy_per_atom": -7.993390668076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -415.65631474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0159757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.012000Z",
"spacegroup": 59
},
{
"id": "mp-1859",
"created_at": "2022-09-04T14:40:55.402308Z",
"structure_string": "Np2 Mn4\n1.0\n0.000000 3.473586 3.473586\n3.473586 0.000000 3.473586\n3.473586 3.473586 0.000000\nNp Mn\n2 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Np\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Mn"
],
"chemical_system": "Mn-Np",
"density": 13.743245213508613,
"density_atomic": 0.07157924076307468,
"volume": 83.82318582925231,
"volume_molar": 8.413250400256578,
"formula_full": "Np2 Mn4",
"formula_reduced": "NpMn2",
"formula_anonymous": "AB2",
"energy": -61.42888754,
"energy_per_atom": -10.238147923333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.42888754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6308511,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.010000Z",
"spacegroup": 227
},
{
"id": "mp-17013",
"created_at": "2022-09-04T14:45:59.761786Z",
"structure_string": "Ta10 Ge6\n1.0\n3.827295 -6.629070 0.000000\n3.827295 6.629070 0.000000\n0.000000 0.000000 5.346568\nTa Ge\n10 6\ndirect\n0.000000 0.762506 0.750000 Ta\n0.000000 0.237494 0.250000 Ta\n0.762506 0.762506 0.250000 Ta\n0.762506 0.000000 0.750000 Ta\n0.237494 0.237494 0.750000 Ta\n0.237494 0.000000 0.250000 Ta\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.000000 Ta\n0.397040 0.000000 0.750000 Ge\n0.397040 0.397040 0.250000 Ge\n0.000000 0.602960 0.250000 Ge\n0.000000 0.397040 0.750000 Ge\n0.602960 0.602960 0.750000 Ge\n0.602960 0.000000 0.250000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ge"
],
"chemical_system": "Ge-Ta",
"density": 13.74287121541078,
"density_atomic": 0.05897532586239896,
"volume": 271.29989984847475,
"volume_molar": 10.211288656633862,
"formula_full": "Ta10 Ge6",
"formula_reduced": "Ta5Ge3",
"formula_anonymous": "A3B5",
"energy": -150.71674594,
"energy_per_atom": -9.41979662125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.71674594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0788734,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.886000Z",
"spacegroup": 193
},
{
"id": "mp-1183992",
"created_at": "2022-09-04T14:40:33.388107Z",
"structure_string": "Cs1 Np3\n1.0\n4.671867 0.000000 0.000000\n0.000000 4.671867 0.000000\n0.000000 0.000000 4.671867\nCs Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Np\n0.500000 0.000000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Np"
],
"chemical_system": "Cs-Np",
"density": 13.742681393345897,
"density_atomic": 0.03922731467741197,
"volume": 101.96976348991066,
"volume_molar": 15.35190672500377,
"formula_full": "Cs1 Np3",
"formula_reduced": "CsNp3",
"formula_anonymous": "AB3",
"energy": -33.32040427,
"energy_per_atom": -8.3301010675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.32040427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.2165845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.193000Z",
"spacegroup": 221
},
{
"id": "mp-1227488",
"created_at": "2022-09-04T14:47:13.809196Z",
"structure_string": "Ca2 Bi4 Au12\n1.0\n2.851347 -4.938678 0.000000\n2.851347 4.938678 0.000000\n0.000000 0.000000 14.071254\nCa Bi Au\n2 4 12\ndirect\n0.000000 0.000000 0.583756 Ca\n0.666667 0.333333 0.913496 Ca\n0.666667 0.333333 0.665689 Bi\n0.333333 0.666667 0.006225 Bi\n0.000000 0.000000 0.328714 Bi\n0.333333 0.666667 0.251725 Bi\n0.832733 0.167267 0.123076 Au\n0.500017 0.499983 0.459136 Au\n0.166566 0.833434 0.793259 Au\n0.832733 0.665467 0.123076 Au\n0.500017 0.000033 0.459136 Au\n0.166566 0.333133 0.793259 Au\n0.666667 0.333333 0.291958 Au\n0.333333 0.666667 0.624417 Au\n0.000000 0.000000 0.957608 Au\n0.334533 0.167267 0.123076 Au\n0.999967 0.499983 0.459136 Au\n0.666867 0.833434 0.793259 Au\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Ca",
"density": 13.742207872720623,
"density_atomic": 0.04542018751379865,
"volume": 396.29955280417107,
"volume_molar": 13.258731611732061,
"formula_full": "Ca2 Bi4 Au12",
"formula_reduced": "Ca(BiAu3)2",
"formula_anonymous": "AB2C6",
"energy": -64.16806052,
"energy_per_atom": -3.564892251111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.16806052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.044000Z",
"spacegroup": 156
},
{
"id": "mp-983497",
"created_at": "2022-09-04T14:40:03.944677Z",
"structure_string": "Pa3 Zn1\n1.0\n4.508804 0.000000 0.000000\n0.000000 4.508804 0.000000\n0.000000 0.000000 4.508804\nPa Zn\n3 1\ndirect\n0.500000 0.000000 0.000000 Pa\n0.000000 0.500000 0.000000 Pa\n0.000000 0.000000 0.500000 Pa\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"Zn"
],
"chemical_system": "Pa-Zn",
"density": 13.74137336417751,
"density_atomic": 0.043639113659201575,
"volume": 91.66089007301768,
"volume_molar": 13.79986955516498,
"formula_full": "Pa3 Zn1",
"formula_reduced": "Pa3Zn",
"formula_anonymous": "AB3",
"energy": -29.54188921,
"energy_per_atom": -7.3854723025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.54188921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2254993,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.315000Z",
"spacegroup": 221
}
]
}