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=10174",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10172",
"results": [
{
"id": "mp-1072381",
"created_at": "2022-09-04T14:39:57.713927Z",
"structure_string": "Lu1 Ni4 Au1\n1.0\n0.000000 3.458779 3.458779\n3.458779 0.000000 3.458779\n3.458779 3.458779 0.000000\nLu Ni Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.624726 0.624726 0.125821 Ni\n0.624726 0.125821 0.624726 Ni\n0.125821 0.624726 0.624726 Ni\n0.624726 0.624726 0.624726 Ni\n0.250000 0.250000 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Au"
],
"chemical_system": "Au-Lu-Ni",
"density": 12.173901626574388,
"density_atomic": 0.07250247199794599,
"volume": 82.75579900461851,
"volume_molar": 8.306117838534675,
"formula_full": "Lu1 Ni4 Au1",
"formula_reduced": "LuNi4Au",
"formula_anonymous": "ABC4",
"energy": -33.42973704,
"energy_per_atom": -5.57162284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.42973704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1664132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.182000Z",
"spacegroup": 216
},
{
"id": "mp-1406596",
"created_at": "2022-09-04T14:41:50.010093Z",
"structure_string": "Bi2 O4\n1.0\n1.875977 -3.249288 0.000000\n1.875977 3.249288 0.000000\n0.000000 0.000000 7.806384\nBi O\n2 4\ndirect\n0.666667 0.333333 0.750000 Bi\n0.333333 0.666667 0.250000 Bi\n0.333333 0.666667 0.613451 O\n0.666667 0.333333 0.113451 O\n0.333333 0.666667 0.886549 O\n0.666667 0.333333 0.386549 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.409361629702195,
"density_atomic": 0.06304572276774577,
"volume": 95.16902553569588,
"volume_molar": 9.552021129466585,
"formula_full": "Bi2 O4",
"formula_reduced": "BiO2",
"formula_anonymous": "AB2",
"energy": -33.42881366,
"energy_per_atom": -5.5714689433333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.68081366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.002922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.563000Z",
"spacegroup": 194
},
{
"id": "mp-1225070",
"created_at": "2022-09-04T14:43:49.599959Z",
"structure_string": "Er2 Cu1 Si3\n1.0\n-1.967355 2.030955 6.930366\n1.967355 -2.030955 6.930366\n1.967355 2.030955 -6.930366\nEr Cu Si\n2 1 3\ndirect\n0.752665 0.252665 0.500000 Er\n0.997704 0.997704 0.000000 Er\n0.164050 0.664050 0.500000 Cu\n0.587926 0.587926 0.000000 Si\n0.327032 0.827032 0.500000 Si\n0.420622 0.420622 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Si"
],
"chemical_system": "Cu-Er-Si",
"density": 7.2307878936163394,
"density_atomic": 0.05416915414058868,
"volume": 110.76414419224298,
"volume_molar": 11.117287791443728,
"formula_full": "Er2 Cu1 Si3",
"formula_reduced": "Er2CuSi3",
"formula_anonymous": "AB2C3",
"energy": -33.42838261,
"energy_per_atom": -5.571397101666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64138261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.866000Z",
"spacegroup": 44
},
{
"id": "mp-1215639",
"created_at": "2022-09-04T14:44:20.242746Z",
"structure_string": "Zr2 Ga3 Cu1\n1.0\n2.083819 4.974606 0.000000\n-2.083819 4.974606 0.000000\n0.000000 4.329957 4.965855\nZr Ga Cu\n2 3 1\ndirect\n0.539773 0.539773 0.203283 Zr\n0.457419 0.457419 0.789762 Zr\n0.849869 0.849869 0.615901 Ga\n0.825900 0.825900 0.209244 Ga\n0.160139 0.160139 0.794874 Ga\n0.166899 0.166899 0.386936 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Zr",
"density": 7.341306154854711,
"density_atomic": 0.05827852313399937,
"volume": 102.95387867335356,
"volume_molar": 10.333379152648286,
"formula_full": "Zr2 Ga3 Cu1",
"formula_reduced": "Zr2Ga3Cu",
"formula_anonymous": "AB2C3",
"energy": -33.42650085,
"energy_per_atom": -5.571083474999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.42650085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.673000Z",
"spacegroup": 8
},
{
"id": "mp-13696",
"created_at": "2022-09-04T14:46:27.415976Z",
"structure_string": "Eu1 Cu1 O2\n1.0\n5.811631 -1.853906 0.000000\n5.811631 1.853906 0.000000\n5.220237 0.000000 3.156129\nEu Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cu\n0.895341 0.895341 0.895341 O\n0.104659 0.104659 0.104659 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"O"
],
"chemical_system": "Cu-Eu-O",
"density": 6.043231885574198,
"density_atomic": 0.05881519052708389,
"volume": 68.00964111742586,
"volume_molar": 10.239090796155555,
"formula_full": "Eu1 Cu1 O2",
"formula_reduced": "EuCuO2",
"formula_anonymous": "ABC2",
"energy": -33.42502382,
"energy_per_atom": -8.356255955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.05102382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.842000Z",
"spacegroup": 166
},
{
"id": "mp-1220200",
"created_at": "2022-09-04T14:42:53.688074Z",
"structure_string": "Nd2 As2 Pd2\n1.0\n2.258794 -3.912347 0.000000\n2.258794 3.912347 0.000000\n0.000000 0.000000 7.780573\nNd As Pd\n2 2 2\ndirect\n0.000000 0.000000 0.243552 Nd\n0.000000 0.000000 0.756448 Nd\n0.333333 0.666667 0.500023 As\n0.666667 0.333333 0.499977 As\n0.666667 0.333333 0.989841 Pd\n0.333333 0.666667 0.010159 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"As",
"Pd"
],
"chemical_system": "As-Nd-Pd",
"density": 7.862959598424815,
"density_atomic": 0.043631051602357515,
"volume": 137.5167404783753,
"volume_molar": 13.802419466952765,
"formula_full": "Nd2 As2 Pd2",
"formula_reduced": "NdAsPd",
"formula_anonymous": "ABC",
"energy": -33.42343558,
"energy_per_atom": -5.5705725966666675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.42343558,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.094000Z",
"spacegroup": 164
},
{
"id": "mp-1207278",
"created_at": "2022-09-04T14:47:12.465218Z",
"structure_string": "U2 Sb1 S2\n1.0\n2.851135 0.000000 0.000000\n0.000000 2.851135 0.000000\n0.000000 0.000000 16.201054\nU Sb S\n2 1 2\ndirect\n0.500000 0.500000 0.198393 U\n0.500000 0.500000 0.801607 U\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.643673 S\n0.500000 0.500000 0.356327 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Sb",
"S"
],
"chemical_system": "S-Sb-U",
"density": 8.346300581549958,
"density_atomic": 0.03796567903549663,
"volume": 131.6978947044558,
"volume_molar": 15.862065194117827,
"formula_full": "U2 Sb1 S2",
"formula_reduced": "U2SbS2",
"formula_anonymous": "AB2C2",
"energy": -33.421700200000004,
"energy_per_atom": -6.68434004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.2237002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.274089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.741000Z",
"spacegroup": 123
},
{
"id": "mp-1026557",
"created_at": "2022-09-04T14:48:23.206914Z",
"structure_string": "Ba1 Mg14 W1\n1.0\n6.534930 0.048703 0.000000\n-3.225287 5.586360 0.000000\n0.000000 0.000000 10.348545\nBa Mg W\n1 14 1\ndirect\n0.129949 0.314974 0.125000 Ba\n0.172584 0.336291 0.625000 Mg\n0.164044 0.832022 0.625000 Mg\n0.639374 0.317201 0.125000 Mg\n0.662382 0.338874 0.625000 Mg\n0.639374 0.822172 0.125000 Mg\n0.662382 0.823507 0.625000 Mg\n0.340025 0.155999 0.378706 Mg\n0.340025 0.155999 0.871294 Mg\n0.340025 0.684027 0.378706 Mg\n0.340025 0.684027 0.871294 Mg\n0.824104 0.162053 0.398019 Mg\n0.824104 0.162053 0.851981 Mg\n0.860245 0.680123 0.354785 Mg\n0.860245 0.680123 0.895215 Mg\n0.201113 0.850556 0.125000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"W"
],
"chemical_system": "Ba-Mg-W",
"density": 2.8948345293887803,
"density_atomic": 0.04217024694756924,
"volume": 379.41442505406684,
"volume_molar": 14.280544212812881,
"formula_full": "Ba1 Mg14 W1",
"formula_reduced": "BaMg14W",
"formula_anonymous": "ABC14",
"energy": -33.42029258,
"energy_per_atom": -2.08876828625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.42029258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7694618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.220000Z",
"spacegroup": 38
},
{
"id": "mp-1226816",
"created_at": "2022-09-04T14:45:22.280783Z",
"structure_string": "Ce2 Cu1 Ge3\n1.0\n2.136096 -3.699827 0.000000\n2.136096 3.699827 0.000000\n0.000000 0.000000 7.984312\nCe Cu Ge\n2 1 3\ndirect\n0.666667 0.333333 0.248074 Ce\n0.666667 0.333333 0.751926 Ce\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Ge"
],
"chemical_system": "Ce-Cu-Ge",
"density": 7.390644213267785,
"density_atomic": 0.047542451397112565,
"volume": 126.20300013314844,
"volume_molar": 12.66687051893531,
"formula_full": "Ce2 Cu1 Ge3",
"formula_reduced": "Ce2CuGe3",
"formula_anonymous": "AB2C3",
"energy": -33.42013455,
"energy_per_atom": -5.570022425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.42013455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.199148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.754000Z",
"spacegroup": 187
},
{
"id": "mp-1187436",
"created_at": "2022-09-04T14:46:55.323989Z",
"structure_string": "Ti2 Cu1 Re1\n1.0\n0.000000 3.100487 3.100487\n3.100487 0.000000 3.100487\n3.100487 3.100487 0.000000\nTi Cu Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Re"
],
"chemical_system": "Cu-Re-Ti",
"density": 9.624120853432473,
"density_atomic": 0.06710273960021727,
"volume": 59.61008483157442,
"volume_molar": 8.974508039282052,
"formula_full": "Ti2 Cu1 Re1",
"formula_reduced": "Ti2CuRe",
"formula_anonymous": "ABC2",
"energy": -33.41795361,
"energy_per_atom": -8.3544884025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.41795361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.110000Z",
"spacegroup": 225
},
{
"id": "mp-1547",
"created_at": "2022-09-04T14:43:10.133982Z",
"structure_string": "Ni3 S3\n1.0\n2.951068 -4.782176 0.000000\n2.951068 4.782176 0.000000\n-4.798401 0.000000 2.924612\nNi S\n3 3\ndirect\n0.396483 0.660346 0.396483 Ni\n0.396483 0.396483 0.660346 Ni\n0.660346 0.396483 0.396483 Ni\n0.119704 0.782681 0.119704 S\n0.119704 0.119704 0.782681 S\n0.782681 0.119704 0.119704 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 5.477143979253761,
"density_atomic": 0.07268557404549061,
"volume": 82.54732907859916,
"volume_molar": 8.285193917889421,
"formula_full": "Ni3 S3",
"formula_reduced": "NiS",
"formula_anonymous": "AB",
"energy": -33.41554967,
"energy_per_atom": -5.569258278333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.906549670000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021011,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.068000Z",
"spacegroup": 160
},
{
"id": "mp-23536",
"created_at": "2022-09-04T14:48:20.789642Z",
"structure_string": "Sb1 I3 Cl8\n1.0\n7.577203 0.000000 0.000000\n-1.508949 7.687966 0.000000\n-0.510724 -0.750938 8.074302\nSb I Cl\n1 3 8\ndirect\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 I\n0.678538 0.762203 0.836696 I\n0.321462 0.237797 0.163304 I\n0.730854 0.307002 0.559171 Cl\n0.269146 0.692998 0.440829 Cl\n0.509629 0.763743 0.074831 Cl\n0.490371 0.236257 0.925169 Cl\n0.849956 0.757072 0.538827 Cl\n0.150044 0.242928 0.461173 Cl\n0.896184 0.467505 0.214453 Cl\n0.103816 0.532495 0.785547 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"I",
"Cl"
],
"chemical_system": "Cl-I-Sb",
"density": 2.7752371291503106,
"density_atomic": 0.025512668166501773,
"volume": 470.35456745194705,
"volume_molar": 23.604511769204496,
"formula_full": "Sb1 I3 Cl8",
"formula_reduced": "SbI3Cl8",
"formula_anonymous": "AB3C8",
"energy": -33.41466338,
"energy_per_atom": -2.7845552816666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.50266338,
"band_gap": 1.2101,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:50.026000Z",
"spacegroup": 2
}
]
}