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=energy&page=10187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10185",
"results": [
{
"id": "mp-1228830",
"created_at": "2022-09-04T14:40:01.197369Z",
"structure_string": "Al1 W1 C2\n1.0\n2.795778 0.000000 0.000000\n0.000000 2.995236 0.000000\n0.000000 0.000000 5.056083\nAl W C\n1 1 2\ndirect\n0.000000 0.000000 0.480874 Al\n0.000000 0.500000 0.004234 W\n0.500000 0.500000 0.325147 C\n0.500000 0.000000 0.856445 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"W",
"C"
],
"chemical_system": "Al-C-W",
"density": 9.210403970809853,
"density_atomic": 0.09447394844998393,
"volume": 42.33971444643987,
"volume_molar": 6.37439300336666,
"formula_full": "Al1 W1 C2",
"formula_reduced": "AlWC2",
"formula_anonymous": "ABC2",
"energy": -33.27956382,
"energy_per_atom": -8.319890955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.27956382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.721000Z",
"spacegroup": 25
},
{
"id": "mp-1187921",
"created_at": "2022-09-04T14:46:24.318468Z",
"structure_string": "Zn1 Ru2 W1\n1.0\n0.000000 3.069988 3.069988\n3.069988 0.000000 3.069988\n3.069988 3.069988 0.000000\nZn Ru W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n0.500000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ru",
"W"
],
"chemical_system": "Ru-W-Zn",
"density": 12.952692026984947,
"density_atomic": 0.06912258352276127,
"volume": 57.868207409852474,
"volume_molar": 8.712262263775164,
"formula_full": "Zn1 Ru2 W1",
"formula_reduced": "ZnRu2W",
"formula_anonymous": "ABC2",
"energy": -33.27939948,
"energy_per_atom": -8.31984987,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.27939948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.616000Z",
"spacegroup": 225
},
{
"id": "mp-1112121",
"created_at": "2022-09-04T14:43:18.245051Z",
"structure_string": "Cs2 Rb1 Sb1 Br6\n1.0\n0.000000 6.100958 6.100958\n6.100958 0.000000 6.100958\n6.100958 6.100958 0.000000\nCs Rb Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.769058 0.230942 0.230942 Br\n0.230942 0.230942 0.769058 Br\n0.230942 0.769058 0.769058 Br\n0.230942 0.769058 0.230942 Br\n0.769058 0.230942 0.769058 Br\n0.769058 0.769058 0.230942 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Sb",
"Br"
],
"chemical_system": "Br-Cs-Rb-Sb",
"density": 3.482354460203252,
"density_atomic": 0.022017900185631406,
"volume": 454.17591667192085,
"volume_molar": 27.35111300000338,
"formula_full": "Cs2 Rb1 Sb1 Br6",
"formula_reduced": "Cs2RbSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.2758953,
"energy_per_atom": -3.32758953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.0718953,
"band_gap": 2.841,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0051016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.173000Z",
"spacegroup": 225
},
{
"id": "mp-1023478",
"created_at": "2022-09-04T14:45:56.668912Z",
"structure_string": "Hf1 Mg15\n1.0\n3.206593 -5.553983 0.000000\n3.206593 5.553983 0.000000\n0.000000 0.000000 10.175798\nHf Mg\n1 15\ndirect\n0.666667 0.333333 0.000000 Hf\n0.666667 0.333333 0.500000 Mg\n0.168357 0.336713 0.000000 Mg\n0.166509 0.333018 0.500000 Mg\n0.168357 0.831643 0.000000 Mg\n0.166509 0.833491 0.500000 Mg\n0.663287 0.831643 0.000000 Mg\n0.666982 0.833491 0.500000 Mg\n0.995845 0.497923 0.248233 Mg\n0.995845 0.497923 0.751767 Mg\n0.502077 0.497923 0.248233 Mg\n0.502077 0.497923 0.751767 Mg\n0.502077 0.004155 0.248233 Mg\n0.502077 0.004155 0.751767 Mg\n0.000000 0.000000 0.248738 Mg\n0.000000 0.000000 0.751262 Mg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 2.4880210601984127,
"density_atomic": 0.04414414640910286,
"volume": 362.44896099521543,
"volume_molar": 13.641991633930857,
"formula_full": "Hf1 Mg15",
"formula_reduced": "HfMg15",
"formula_anonymous": "AB15",
"energy": -33.27502101,
"energy_per_atom": -2.079688813125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.27502101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.445000Z",
"spacegroup": 187
},
{
"id": "mp-630528",
"created_at": "2022-09-04T14:43:20.357078Z",
"structure_string": "In4 S4\n1.0\n11.198834 0.000000 0.000000\n0.000000 4.086218 0.000000\n0.000000 3.918371 4.113828\nIn S\n4 4\ndirect\n0.123220 0.890622 0.065623 In\n0.376780 0.890622 0.565623 In\n0.876780 0.109378 0.934377 In\n0.623220 0.109378 0.434377 In\n0.650934 0.996800 0.999453 S\n0.150934 0.003200 0.500547 S\n0.349066 0.003200 0.000547 S\n0.849066 0.996800 0.499453 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 5.182510055816747,
"density_atomic": 0.04249614326644929,
"volume": 188.25237739435053,
"volume_molar": 14.171028938417761,
"formula_full": "In4 S4",
"formula_reduced": "InS",
"formula_anonymous": "AB",
"energy": -33.27299583,
"energy_per_atom": -4.15912447875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.26099583,
"band_gap": 0.4359000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.106000Z",
"spacegroup": 14
},
{
"id": "mp-1221648",
"created_at": "2022-09-04T14:40:23.502732Z",
"structure_string": "Mn1 Fe1 O2\n1.0\n3.117485 0.000000 0.000000\n0.000000 3.117485 0.000000\n0.000000 0.000000 4.412032\nMn Fe O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.5293577314793865,
"density_atomic": 0.09328516684420325,
"volume": 42.8792715424999,
"volume_molar": 6.4556252228799185,
"formula_full": "Mn1 Fe1 O2",
"formula_reduced": "MnFeO2",
"formula_anonymous": "ABC2",
"energy": -33.27116395,
"energy_per_atom": -8.3177909875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.97316395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0065545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.513000Z",
"spacegroup": 123
},
{
"id": "mp-1216687",
"created_at": "2022-09-04T14:41:48.577539Z",
"structure_string": "Ti1 V1 H4\n1.0\n5.067267 -1.528128 0.000000\n5.067267 1.528128 0.000000\n4.606432 0.000000 2.606368\nTi V H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 V\n0.621502 0.621502 0.621502 H\n0.128368 0.128368 0.128368 H\n0.871632 0.871632 0.871632 H\n0.378498 0.378498 0.378498 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"H"
],
"chemical_system": "H-Ti-V",
"density": 4.2307076042875185,
"density_atomic": 0.14864557936488945,
"volume": 40.364469805532735,
"volume_molar": 4.0513419811948,
"formula_full": "Ti1 V1 H4",
"formula_reduced": "TiVH4",
"formula_anonymous": "ABC4",
"energy": -33.26749634,
"energy_per_atom": -5.544582723333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.55149634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0219126,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.395000Z",
"spacegroup": 166
},
{
"id": "mp-1205548",
"created_at": "2022-09-04T14:43:06.263348Z",
"structure_string": "K2 Sr2 I6\n1.0\n2.393989 -7.815041 0.000000\n2.393989 7.815041 0.000000\n0.000000 0.000000 12.171983\nK Sr I\n2 2 6\ndirect\n0.246926 0.753074 0.250000 K\n0.753074 0.246926 0.750000 K\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.639733 0.360267 0.058923 I\n0.360267 0.639733 0.941077 I\n0.360267 0.639733 0.558923 I\n0.639733 0.360267 0.441077 I\n0.917781 0.082219 0.250000 I\n0.082219 0.917781 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Sr",
"I"
],
"chemical_system": "I-K-Sr",
"density": 3.700087140953177,
"density_atomic": 0.021956102817053284,
"volume": 455.45423444788247,
"volume_molar": 27.42809509583189,
"formula_full": "K2 Sr2 I6",
"formula_reduced": "KSrI3",
"formula_anonymous": "ABC3",
"energy": -33.2672278,
"energy_per_atom": -3.32672278,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.9932278,
"band_gap": 3.9993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.564000Z",
"spacegroup": 63
},
{
"id": "mp-4109",
"created_at": "2022-09-04T14:43:20.182695Z",
"structure_string": "Ba1 As2 Ru2\n1.0\n-2.102835 2.102835 6.214272\n2.102835 -2.102835 6.214272\n2.102835 2.102835 -6.214272\nBa As Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.349737 0.349737 0.000000 As\n0.650263 0.650263 0.000000 As\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Ru"
],
"chemical_system": "As-Ba-Ru",
"density": 7.3921832244880505,
"density_atomic": 0.045489311194577345,
"volume": 109.91593120882507,
"volume_molar": 13.238584190120433,
"formula_full": "Ba1 As2 Ru2",
"formula_reduced": "Ba(AsRu)2",
"formula_anonymous": "AB2C2",
"energy": -33.26685683,
"energy_per_atom": -6.653371366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.26685683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.497000Z",
"spacegroup": 139
},
{
"id": "mp-978490",
"created_at": "2022-09-04T14:42:47.832410Z",
"structure_string": "Si1 Pd1 O3\n1.0\n3.598276 0.000000 0.000000\n0.000000 3.598276 0.000000\n0.000000 0.000000 3.598276\nSi Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Si",
"Pd",
"O"
],
"chemical_system": "O-Pd-Si",
"density": 6.504851022798701,
"density_atomic": 0.10732146388172169,
"volume": 46.58900297437676,
"volume_molar": 5.611310675595112,
"formula_full": "Si1 Pd1 O3",
"formula_reduced": "SiPdO3",
"formula_anonymous": "ABC3",
"energy": -33.26631033,
"energy_per_atom": -6.653262066000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.20531033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9946826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.565000Z",
"spacegroup": 221
},
{
"id": "mp-11078",
"created_at": "2022-09-04T14:40:29.010336Z",
"structure_string": "Ba2 In4 Rh2\n1.0\n2.254768 -5.876845 0.000000\n2.254768 5.876845 0.000000\n0.000000 0.000000 8.173663\nBa In Rh\n2 4 2\ndirect\n0.051701 0.948299 0.250000 Ba\n0.948299 0.051701 0.750000 Ba\n0.666213 0.333787 0.555673 In\n0.333787 0.666213 0.444327 In\n0.666213 0.333787 0.944327 In\n0.333787 0.666213 0.055673 In\n0.218181 0.781819 0.750000 Rh\n0.781819 0.218181 0.250000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"In",
"Rh"
],
"chemical_system": "Ba-In-Rh",
"density": 7.203815832873569,
"density_atomic": 0.036931518473507625,
"volume": 216.61714250224242,
"volume_molar": 16.306236539718533,
"formula_full": "Ba2 In4 Rh2",
"formula_reduced": "BaIn2Rh",
"formula_anonymous": "ABC2",
"energy": -33.26622304,
"energy_per_atom": -4.15827788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.26622304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005647,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.374000Z",
"spacegroup": 63
},
{
"id": "mp-1076360",
"created_at": "2022-09-04T14:41:51.100997Z",
"structure_string": "Rb1 Cr1 O3\n1.0\n3.946930 0.000000 0.000000\n0.000000 3.946930 0.000000\n0.000000 0.000000 3.946930\nRb Cr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"O"
],
"chemical_system": "Cr-O-Rb",
"density": 5.008711280005005,
"density_atomic": 0.08131894431480516,
"volume": 61.486287631130566,
"volume_molar": 7.405581578490305,
"formula_full": "Rb1 Cr1 O3",
"formula_reduced": "RbCrO3",
"formula_anonymous": "ABC3",
"energy": -33.26602518,
"energy_per_atom": -6.653205036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.20602518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.886000Z",
"spacegroup": 221
}
]
}