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=volume&page=1708",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=1706",
"results": [
{
"id": "mp-1184452",
"created_at": "2022-09-04T14:47:10.108466Z",
"structure_string": "Eu1 Ho3\n1.0\n-2.435994 2.435994 4.896218\n2.435994 -2.435994 4.896218\n2.435994 2.435994 -4.896218\nEu Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Ho"
],
"chemical_system": "Eu-Ho",
"density": 9.240930403982395,
"density_atomic": 0.03441809470800327,
"volume": 116.21793809143875,
"volume_molar": 17.49701955059025,
"formula_full": "Eu1 Ho3",
"formula_reduced": "EuHo3",
"formula_anonymous": "AB3",
"energy": -23.44781308,
"energy_per_atom": -5.86195327,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.44781308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2300173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.012000Z",
"spacegroup": 139
},
{
"id": "mp-9364",
"created_at": "2022-09-04T14:48:17.199457Z",
"structure_string": "Rb1 Sm1 S2\n1.0\n7.797701 -2.086824 0.000000\n7.797701 2.086824 0.000000\n7.239224 0.000000 3.571080\nRb Sm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sm\n0.768242 0.768242 0.768242 S\n0.231758 0.231758 0.231758 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Sm",
"S"
],
"chemical_system": "Rb-S-Sm",
"density": 4.285754412288592,
"density_atomic": 0.03441739650379108,
"volume": 116.22029573211326,
"volume_molar": 17.497374501690334,
"formula_full": "Rb1 Sm1 S2",
"formula_reduced": "RbSmS2",
"formula_anonymous": "ABC2",
"energy": -22.29316708,
"energy_per_atom": -5.57329177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.28716708,
"band_gap": 2.2887000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:36.458000Z",
"spacegroup": 166
},
{
"id": "mp-972048",
"created_at": "2022-09-04T14:44:10.459434Z",
"structure_string": "Zn6 Mo1\n1.0\n0.000000 3.873349 3.873349\n3.873349 0.000000 3.873349\n3.873349 3.873349 0.000000\nZn Mo\n6 1\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zn",
"Mo"
],
"chemical_system": "Mo-Zn",
"density": 6.977976971929055,
"density_atomic": 0.06022934698555297,
"volume": 116.22241233462267,
"volume_molar": 9.998681807797972,
"formula_full": "Zn6 Mo1",
"formula_reduced": "Zn6Mo",
"formula_anonymous": "AB6",
"energy": -18.70741979,
"energy_per_atom": -2.6724885414285713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.70741979,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0305491,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.457000Z",
"spacegroup": 225
},
{
"id": "mp-1187415",
"created_at": "2022-09-04T14:41:32.872983Z",
"structure_string": "Tc6 Ge2\n1.0\n2.737030 -4.740675 0.000000\n2.737030 4.740675 0.000000\n0.000000 0.000000 4.478654\nTc Ge\n6 2\ndirect\n0.169650 0.339299 0.250000 Tc\n0.660701 0.830350 0.250000 Tc\n0.169650 0.830350 0.250000 Tc\n0.830350 0.660701 0.750000 Tc\n0.339299 0.169650 0.750000 Tc\n0.830350 0.169650 0.750000 Tc\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Ge"
],
"chemical_system": "Ge-Tc",
"density": 10.476631991428665,
"density_atomic": 0.0688323724251644,
"volume": 116.22438277422039,
"volume_molar": 8.74899491013093,
"formula_full": "Tc6 Ge2",
"formula_reduced": "Tc3Ge",
"formula_anonymous": "AB3",
"energy": -70.89942995,
"energy_per_atom": -8.86242874375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.89942995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0301153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.839000Z",
"spacegroup": 194
},
{
"id": "mp-505158",
"created_at": "2022-09-04T14:41:05.243568Z",
"structure_string": "Cs1 Ho1 S2\n1.0\n8.136588 -2.041434 0.000000\n8.136588 2.041434 0.000000\n7.624401 0.000000 3.498574\nCs Ho S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Ho\n0.227314 0.227314 0.227314 S\n0.772686 0.772686 0.772686 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Ho",
"S"
],
"chemical_system": "Cs-Ho-S",
"density": 5.171516001971477,
"density_atomic": 0.03441606884954996,
"volume": 116.22477911367574,
"volume_molar": 17.498049490561584,
"formula_full": "Cs1 Ho1 S2",
"formula_reduced": "CsHoS2",
"formula_anonymous": "ABC2",
"energy": -22.01693585,
"energy_per_atom": -5.5042339625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.01093585,
"band_gap": 2.1354,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.656000Z",
"spacegroup": 166
},
{
"id": "mp-690112",
"created_at": "2022-09-04T14:41:23.437133Z",
"structure_string": "H1 W2 O6\n1.0\n-2.741006 2.744668 3.862331\n2.741006 -2.744668 3.862331\n2.741006 2.744668 -3.862331\nH W O\n1 2 6\ndirect\n0.997727 0.000000 0.997727 H\n0.242285 0.752293 0.489993 W\n0.737700 0.247707 0.489993 W\n0.504546 0.495074 0.502919 O\n0.513780 0.000000 0.513780 O\n0.504546 0.001627 0.009471 O\n0.007845 0.998373 0.502919 O\n0.006922 0.500000 0.506922 O\n0.007845 0.504926 0.009471 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"H",
"W",
"O"
],
"chemical_system": "H-O-W",
"density": 6.638926308049936,
"density_atomic": 0.07743427261298333,
"volume": 116.22760434493935,
"volume_molar": 7.777099928475693,
"formula_full": "H1 W2 O6",
"formula_reduced": "H(WO3)2",
"formula_anonymous": "AB2C6",
"energy": -73.96836494,
"energy_per_atom": -8.218707215555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.97036494,
"band_gap": 0.5541,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.499000Z",
"spacegroup": 44
},
{
"id": "mp-1077789",
"created_at": "2022-09-04T14:47:39.676050Z",
"structure_string": "Th2 Si2 Ni2\n1.0\n-2.037912 2.037912 6.996874\n2.037912 -2.037912 6.996874\n2.037912 2.037912 -6.996874\nTh Si Ni\n2 2 2\ndirect\n0.749205 0.249205 0.500000 Th\n0.999205 0.999205 0.000000 Th\n0.168313 0.668313 0.500000 Si\n0.418313 0.418313 0.000000 Si\n0.336482 0.836482 0.500000 Ni\n0.586482 0.586482 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Th",
"density": 9.109312724620322,
"density_atomic": 0.051619804172413186,
"volume": 116.23445877399392,
"volume_molar": 11.66633786499014,
"formula_full": "Th2 Si2 Ni2",
"formula_reduced": "ThSiNi",
"formula_anonymous": "ABC",
"energy": -42.19141351,
"energy_per_atom": -7.031902251666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.19141351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149339,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.243000Z",
"spacegroup": 109
},
{
"id": "mp-1186249",
"created_at": "2022-09-04T14:39:35.109130Z",
"structure_string": "Nd2 In1 Hg1\n1.0\n0.000000 3.873530 3.873530\n3.873530 0.000000 3.873530\n3.873530 3.873530 0.000000\nNd In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"In",
"Hg"
],
"chemical_system": "Hg-In-Nd",
"density": 8.626956467691146,
"density_atomic": 0.0344119453125938,
"volume": 116.23870617207197,
"volume_molar": 17.500146258212457,
"formula_full": "Nd2 In1 Hg1",
"formula_reduced": "Nd2InHg",
"formula_anonymous": "ABC2",
"energy": -14.4462555,
"energy_per_atom": -3.611563875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.4462555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9173437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.204000Z",
"spacegroup": 225
},
{
"id": "mp-10852",
"created_at": "2022-09-04T14:47:32.661678Z",
"structure_string": "La2 B4 C4\n1.0\n5.402826 0.000000 0.000000\n0.000000 5.402826 0.000000\n0.000000 0.000000 3.982232\nLa B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 La\n0.137926 0.637926 0.500000 B\n0.637926 0.862074 0.500000 B\n0.862074 0.362074 0.500000 B\n0.362074 0.137926 0.500000 B\n0.839055 0.660945 0.500000 C\n0.339055 0.839055 0.500000 C\n0.660945 0.160945 0.500000 C\n0.160945 0.339055 0.500000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"B",
"C"
],
"chemical_system": "B-C-La",
"density": 5.27256525319523,
"density_atomic": 0.08602634665820381,
"volume": 116.24345782962946,
"volume_molar": 7.000344654791527,
"formula_full": "La2 B4 C4",
"formula_reduced": "La(BC)2",
"formula_anonymous": "AB2C2",
"energy": -77.88129381,
"energy_per_atom": -7.788129381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.88129381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.209000Z",
"spacegroup": 127
},
{
"id": "mp-1186760",
"created_at": "2022-09-04T14:42:17.290484Z",
"structure_string": "Sr1 Sn3\n1.0\n4.880462 0.000000 0.000000\n0.000000 4.880462 0.000000\n0.000000 0.000000 4.880462\nSr Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Sn"
],
"chemical_system": "Sn-Sr",
"density": 6.338765077908358,
"density_atomic": 0.034409406699202935,
"volume": 116.24728188331875,
"volume_molar": 17.501437361718583,
"formula_full": "Sr1 Sn3",
"formula_reduced": "SrSn3",
"formula_anonymous": "AB3",
"energy": -15.13199439,
"energy_per_atom": -3.7829985975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13199439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.381000Z",
"spacegroup": 221
},
{
"id": "mp-631500",
"created_at": "2022-09-04T14:47:40.539994Z",
"structure_string": "Ba1 Hf1 Mg2\n1.0\n0.000000 3.873669 3.873669\n3.873669 0.000000 3.873669\n3.873669 3.873669 0.000000\nBa Hf Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Mg"
],
"chemical_system": "Ba-Hf-Mg",
"density": 5.205496076757697,
"density_atomic": 0.03440824100376305,
"volume": 116.25122015282736,
"volume_molar": 17.502030282051876,
"formula_full": "Ba1 Hf1 Mg2",
"formula_reduced": "BaHfMg2",
"formula_anonymous": "ABC2",
"energy": -12.79160825,
"energy_per_atom": -3.1979020625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79160825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.225000Z",
"spacegroup": 216
},
{
"id": "mp-755902",
"created_at": "2022-09-04T14:47:16.410099Z",
"structure_string": "Lu2 H6 O6\n1.0\n3.112813 -5.391550 0.000000\n3.112813 5.391550 0.000000\n0.000000 0.000000 3.463408\nLu H O\n2 6 6\ndirect\n0.333333 0.666667 0.250000 Lu\n0.666667 0.333333 0.750000 Lu\n0.138262 0.861176 0.750000 H\n0.138824 0.277086 0.750000 H\n0.277086 0.138262 0.250000 H\n0.722914 0.861738 0.750000 H\n0.861176 0.722914 0.250000 H\n0.861738 0.138824 0.250000 H\n0.314048 0.915093 0.750000 O\n0.084907 0.398955 0.750000 O\n0.398955 0.314048 0.250000 O\n0.601045 0.685952 0.750000 O\n0.915093 0.601045 0.250000 O\n0.685952 0.084907 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Lu",
"H",
"O"
],
"chemical_system": "H-Lu-O",
"density": 6.456038504225108,
"density_atomic": 0.12042806702069633,
"volume": 116.2519697139539,
"volume_molar": 5.0006123231763375,
"formula_full": "Lu2 H6 O6",
"formula_reduced": "Lu(HO)3",
"formula_anonymous": "AB3C3",
"energy": -90.56174882,
"energy_per_atom": -6.468696344285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.43974882,
"band_gap": 3.596,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.064000Z",
"spacegroup": 176
}
]
}