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=-is_magnetic&page=10146",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10144",
"results": [
{
"id": "mp-1217821",
"created_at": "2022-09-04T14:39:46.175571Z",
"structure_string": "Ta1 W1 Se4\n1.0\n1.701261 -2.946670 0.000000\n1.701261 2.946670 0.000000\n0.000000 0.000000 13.575497\nTa W Se\n1 1 4\ndirect\n0.666667 0.333333 0.500000 Ta\n0.666667 0.333333 0.000000 W\n0.333333 0.666667 0.625958 Se\n0.000000 0.000000 0.878118 Se\n0.000000 0.000000 0.121882 Se\n0.333333 0.666667 0.374042 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"W",
"Se"
],
"chemical_system": "Se-Ta-W",
"density": 8.303680884247461,
"density_atomic": 0.04408218052572909,
"volume": 136.1094194625429,
"volume_molar": 13.661168046088616,
"formula_full": "Ta1 W1 Se4",
"formula_reduced": "TaWSe4",
"formula_anonymous": "ABC4",
"energy": -44.69210641,
"energy_per_atom": -7.448684401666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.80410641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0837362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.407000Z",
"spacegroup": 187
},
{
"id": "mp-636565",
"created_at": "2022-09-04T14:39:46.199356Z",
"structure_string": "Yb1 In5 Ir1\n1.0\n4.705046 0.000000 0.000000\n0.000000 4.705046 0.000000\n0.000000 0.000000 7.501466\nYb In Ir\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.700655 In\n0.000000 0.500000 0.299345 In\n0.500000 0.000000 0.700655 In\n0.500000 0.000000 0.299345 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Yb",
"In",
"Ir"
],
"chemical_system": "In-Ir-Yb",
"density": 9.392933712073416,
"density_atomic": 0.04215257864037709,
"volume": 166.06338747909587,
"volume_molar": 14.286529921164812,
"formula_full": "Yb1 In5 Ir1",
"formula_reduced": "YbIn5Ir",
"formula_anonymous": "ABC5",
"energy": -26.38350585,
"energy_per_atom": -3.769072264285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.38350585,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074864,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.304000Z",
"spacegroup": 123
},
{
"id": "mp-1224321",
"created_at": "2022-09-04T14:39:46.207669Z",
"structure_string": "Hf2 Al2 Zn2\n1.0\n-2.598959 2.636407 3.684732\n2.598959 -2.636407 3.684732\n2.598959 2.636407 -3.684732\nHf Al Zn\n2 2 2\ndirect\n0.123930 0.873930 0.250000 Hf\n0.876071 0.126070 0.750000 Hf\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Zn"
],
"chemical_system": "Al-Hf-Zn",
"density": 8.907977587862787,
"density_atomic": 0.059411903730879796,
"volume": 100.98986269112689,
"volume_molar": 10.13625280765064,
"formula_full": "Hf2 Al2 Zn2",
"formula_reduced": "HfAlZn",
"formula_anonymous": "ABC",
"energy": -32.15396803,
"energy_per_atom": -5.358994671666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.15396803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.746000Z",
"spacegroup": 74
},
{
"id": "mp-37267",
"created_at": "2022-09-04T14:39:46.217696Z",
"structure_string": "Na3 Y3 F12\n1.0\n3.035611 -5.257833 0.000000\n3.035611 5.257833 0.000000\n0.000000 0.000000 7.105160\nNa Y F\n3 3 12\ndirect\n0.000000 0.000000 0.287711 Na\n0.000000 0.000000 0.712289 Na\n0.333333 0.666667 0.500000 Na\n0.666667 0.333333 0.746622 Y\n0.666667 0.333333 0.253378 Y\n0.333333 0.666667 0.000000 Y\n0.912102 0.306001 0.000000 F\n0.891936 0.276052 0.500000 F\n0.693999 0.606101 0.000000 F\n0.723948 0.615884 0.500000 F\n0.073346 0.675558 0.764426 F\n0.073346 0.675558 0.235574 F\n0.384116 0.108064 0.500000 F\n0.393899 0.087898 0.000000 F\n0.324442 0.397788 0.764426 F\n0.324442 0.397788 0.235574 F\n0.602212 0.926654 0.764426 F\n0.602212 0.926654 0.235574 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Y",
"density": 4.126819557052349,
"density_atomic": 0.07936257335395414,
"volume": 226.8071616040053,
"volume_molar": 7.588136958641042,
"formula_full": "Na3 Y3 F12",
"formula_reduced": "NaYF4",
"formula_anonymous": "ABC4",
"energy": -117.5072597,
"energy_per_atom": -6.528181094444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.9632597,
"band_gap": 7.3745,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.415000Z",
"spacegroup": 174
},
{
"id": "mp-1215195",
"created_at": "2022-09-04T14:39:46.218884Z",
"structure_string": "Zr1 U1 C2\n1.0\n5.776612 -1.699395 0.000000\n5.776612 1.699395 0.000000\n5.276674 0.000000 2.900671\nZr U C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 U\n0.750547 0.750547 0.750547 C\n0.249453 0.249454 0.249454 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"U",
"C"
],
"chemical_system": "C-U-Zr",
"density": 10.300662347587412,
"density_atomic": 0.07023668219728786,
"volume": 56.95029826101975,
"volume_molar": 8.574067811296104,
"formula_full": "Zr1 U1 C2",
"formula_reduced": "ZrUC2",
"formula_anonymous": "ABC2",
"energy": -40.25899076,
"energy_per_atom": -10.06474769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.25899076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.604000Z",
"spacegroup": 166
},
{
"id": "mp-1113549",
"created_at": "2022-09-04T14:39:46.868702Z",
"structure_string": "Rb2 Ga1 Hg1 I6\n1.0\n0.000000 5.960701 5.960701\n5.960701 0.000000 5.960701\n5.960701 5.960701 0.000000\nRb Ga Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.757758 0.242242 0.242242 I\n0.242242 0.242242 0.757758 I\n0.242242 0.757758 0.757758 I\n0.242242 0.757758 0.242242 I\n0.757758 0.242242 0.757758 I\n0.757758 0.757758 0.242242 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"I"
],
"chemical_system": "Ga-Hg-I-Rb",
"density": 4.714932990185666,
"density_atomic": 0.023609021751419962,
"volume": 423.5668934227887,
"volume_molar": 25.50779453467952,
"formula_full": "Rb2 Ga1 Hg1 I6",
"formula_reduced": "Rb2GaHgI6",
"formula_anonymous": "ABC2D6",
"energy": -24.52062869,
"energy_per_atom": -2.4520628689999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.24662869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.575000Z",
"spacegroup": 225
},
{
"id": "mp-1215925",
"created_at": "2022-09-04T14:39:46.209433Z",
"structure_string": "Zr5 Se8\n1.0\n-2.054689 -3.561782 0.022527\n2.266410 -3.596510 -14.503422\n6.154150 -3.556234 -0.093778\nZr Se\n5 8\ndirect\n0.780001 0.437932 0.462674 Zr\n0.955474 0.092487 0.607375 Zr\n0.453082 0.094346 0.123998 Zr\n0.199935 0.604963 0.513972 Zr\n0.702536 0.603057 0.046372 Zr\n0.251804 0.498813 0.231198 Se\n0.739201 0.520308 0.746788 Se\n0.495093 0.007854 0.505231 Se\n0.989605 0.017529 0.983020 Se\n0.370641 0.257840 0.038648 Se\n0.866276 0.262259 0.537612 Se\n0.614518 0.766695 0.955480 Se\n0.115283 0.768916 0.447784 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 4.272777708014747,
"density_atomic": 0.030750734917789402,
"volume": 422.7541239178468,
"volume_molar": 19.58372954695197,
"formula_full": "Zr5 Se8",
"formula_reduced": "Zr5Se8",
"formula_anonymous": "A5B8",
"energy": -83.92146893,
"energy_per_atom": -6.45549761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.14546893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4834453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.593000Z",
"spacegroup": 8
},
{
"id": "mp-10898",
"created_at": "2022-09-04T14:39:46.337989Z",
"structure_string": "Sc1 Al1 Ni2\n1.0\n0.000000 3.025580 3.025580\n3.025580 0.000000 3.025580\n3.025580 3.025580 0.000000\nSc Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Sc",
"density": 5.675438555046211,
"density_atomic": 0.07221111876944217,
"volume": 55.39313153105023,
"volume_molar": 8.339630880429471,
"formula_full": "Sc1 Al1 Ni2",
"formula_reduced": "ScAlNi2",
"formula_anonymous": "ABC2",
"energy": -24.14803838,
"energy_per_atom": -6.037009595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.14803838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.71e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.747000Z",
"spacegroup": 225
},
{
"id": "mp-1016287",
"created_at": "2022-09-04T14:39:46.340913Z",
"structure_string": "K1 Mg3\n1.0\n3.241938 0.000000 0.000000\n0.000000 5.270290 0.000000\n0.000000 0.000000 7.278526\nK Mg\n1 3\ndirect\n0.500000 0.000000 0.140137 K\n0.000000 0.000000 0.648849 Mg\n0.000000 0.500000 0.416387 Mg\n0.500000 0.500000 0.794627 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Mg"
],
"chemical_system": "K-Mg",
"density": 1.4956708645165808,
"density_atomic": 0.032164539317607516,
"volume": 124.36055621696156,
"volume_molar": 18.722919363260893,
"formula_full": "K1 Mg3",
"formula_reduced": "KMg3",
"formula_anonymous": "AB3",
"energy": -5.09716059,
"energy_per_atom": -1.2742901475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.09716059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.704000Z",
"spacegroup": 25
},
{
"id": "mp-568340",
"created_at": "2022-09-04T14:39:46.442073Z",
"structure_string": "Ho10 Ni2 Pb6\n1.0\n4.569737 -7.915017 0.000000\n4.569737 7.915017 0.000000\n0.000000 0.000000 6.683616\nHo Ni Pb\n10 2 6\ndirect\n0.000000 0.762991 0.750000 Ho\n0.333333 0.666667 0.500000 Ho\n0.762991 0.762991 0.250000 Ho\n0.762991 0.000000 0.750000 Ho\n0.237009 0.000000 0.250000 Ho\n0.666667 0.333333 0.500000 Ho\n0.237009 0.237009 0.750000 Ho\n0.333333 0.666667 0.000000 Ho\n0.000000 0.237009 0.250000 Ho\n0.666667 0.333333 0.000000 Ho\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.399934 0.399934 0.250000 Pb\n0.600066 0.600066 0.750000 Pb\n0.600066 0.000000 0.250000 Pb\n0.399934 0.000000 0.750000 Pb\n0.000000 0.600066 0.250000 Pb\n0.000000 0.399934 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"Pb"
],
"chemical_system": "Ho-Ni-Pb",
"density": 10.337491794727208,
"density_atomic": 0.037229564962995516,
"volume": 483.48671325843253,
"volume_molar": 16.175694682400216,
"formula_full": "Ho10 Ni2 Pb6",
"formula_reduced": "Ho5NiPb3",
"formula_anonymous": "AB3C5",
"energy": -89.02072873,
"energy_per_atom": -4.9455960405555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.02072873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003953,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.738000Z",
"spacegroup": 193
},
{
"id": "mp-11675",
"created_at": "2022-09-04T14:39:46.462286Z",
"structure_string": "Nb3 Te6\n1.0\n1.835706 7.476213 0.000000\n-1.835706 7.476213 0.000000\n0.000000 3.443522 8.905373\nNb Te\n3 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.362282 0.362282 0.288022 Nb\n0.637718 0.637718 0.711978 Nb\n0.351974 0.351974 0.010982 Te\n0.648026 0.648026 0.989018 Te\n0.704388 0.704388 0.382294 Te\n0.295612 0.295612 0.617706 Te\n0.005155 0.005155 0.691812 Te\n0.994845 0.994845 0.308188 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Nb",
"Te"
],
"chemical_system": "Nb-Te",
"density": 7.094396080281276,
"density_atomic": 0.03681930663041317,
"volume": 244.436976783422,
"volume_molar": 16.355932012651326,
"formula_full": "Nb3 Te6",
"formula_reduced": "NbTe2",
"formula_anonymous": "AB2",
"energy": -55.84570368,
"energy_per_atom": -6.205078186666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.31370368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.506000Z",
"spacegroup": 12
},
{
"id": "mp-16281",
"created_at": "2022-09-04T14:39:46.469238Z",
"structure_string": "Cd4 Sb4 O14\n1.0\n-3.670546 3.751649 5.183246\n3.670546 -3.751649 5.183246\n3.670546 3.751649 -5.183246\nCd Sb O\n4 4 14\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.445175 0.090118 0.770513 O\n0.554825 0.325338 0.644942 O\n0.180396 0.409882 0.355058 O\n0.819604 0.174662 0.229487 O\n0.554825 0.909882 0.229487 O\n0.445175 0.674662 0.355058 O\n0.819604 0.590118 0.644942 O\n0.180396 0.825338 0.770513 O\n0.597658 0.750000 0.847658 O\n0.402342 0.250000 0.152342 O\n0.166761 0.902931 0.263830 O\n0.833239 0.097069 0.736170 O\n0.860899 0.597069 0.263830 O\n0.139101 0.402931 0.736170 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Sb",
"O"
],
"chemical_system": "Cd-O-Sb",
"density": 6.7506449830217266,
"density_atomic": 0.07705627266542509,
"volume": 285.5056342463257,
"volume_molar": 7.8152505327475,
"formula_full": "Cd4 Sb4 O14",
"formula_reduced": "Cd2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy": -128.68368702,
"energy_per_atom": -5.849258500909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.06568702,
"band_gap": 0.5581,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.218000Z",
"spacegroup": 74
}
]
}