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=nsites&page=1758",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=1756",
"results": [
{
"id": "mp-951",
"created_at": "2022-09-04T14:39:43.426289Z",
"structure_string": "Ce2 Rh4\n1.0\n0.000000 3.795394 3.795394\n3.795394 0.000000 3.795394\n3.795394 3.795394 0.000000\nCe Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ce\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Rh"
],
"chemical_system": "Ce-Rh",
"density": 10.506618373501277,
"density_atomic": 0.0548719829143367,
"volume": 109.34541967194605,
"volume_molar": 10.974891812095535,
"formula_full": "Ce2 Rh4",
"formula_reduced": "CeRh2",
"formula_anonymous": "AB2",
"energy": -45.60224681,
"energy_per_atom": -7.6003744683333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.60224681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6971586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.069000Z",
"spacegroup": 227
},
{
"id": "mp-766325",
"created_at": "2022-09-04T14:39:48.258053Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n5.542921 5.540421 0.000000\n-5.542921 5.540421 0.000000\n0.000000 0.111426 4.965111\nBa Ca I\n1 1 4\ndirect\n0.998068 0.998068 0.484390 Ba\n0.498535 0.498535 0.987386 Ca\n0.796741 0.226056 0.980801 I\n0.226056 0.796741 0.980801 I\n0.682769 0.682769 0.474876 I\n0.315201 0.315201 0.496329 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 3.730042339455216,
"density_atomic": 0.019674823138802335,
"volume": 304.9582686294601,
"volume_molar": 30.608360326875022,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy": -21.54494012,
"energy_per_atom": -3.590823353333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.02894012,
"band_gap": 3.27,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.00042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.310000Z",
"spacegroup": 8
},
{
"id": "mp-31141",
"created_at": "2022-09-04T14:40:00.333947Z",
"structure_string": "Sr2 Bi2 Au2\n1.0\n2.764973 -4.789073 0.000000\n2.764973 4.789073 0.000000\n0.000000 0.000000 6.658310\nSr Bi Au\n2 2 2\ndirect\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.250000 Sr\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Sr",
"density": 9.295843894856882,
"density_atomic": 0.03402631291387769,
"volume": 176.33412163070096,
"volume_molar": 17.69848168751737,
"formula_full": "Sr2 Bi2 Au2",
"formula_reduced": "SrBiAu",
"formula_anonymous": "ABC",
"energy": -19.68227897,
"energy_per_atom": -3.280379828333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.68227897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.293000Z",
"spacegroup": 194
},
{
"id": "mp-1077072",
"created_at": "2022-09-04T14:39:48.780301Z",
"structure_string": "Gd2 S4\n1.0\n0.000000 3.905442 3.905442\n3.905442 0.000000 3.905442\n3.905442 3.905442 0.000000\nGd S\n2 4\ndirect\n0.250000 0.250000 0.250000 Gd\n0.000000 0.000000 0.000000 Gd\n0.625000 0.625000 0.125000 S\n0.625000 0.125000 0.625000 S\n0.125000 0.625000 0.625000 S\n0.625000 0.625000 0.625000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"S"
],
"chemical_system": "Gd-S",
"density": 6.1713034717348645,
"density_atomic": 0.05036289392760043,
"volume": 119.13533024185121,
"volume_molar": 11.95749547009188,
"formula_full": "Gd2 S4",
"formula_reduced": "GdS2",
"formula_anonymous": "AB2",
"energy": -47.87474086,
"energy_per_atom": -7.979123476666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.86274086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0741458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.196000Z",
"spacegroup": 227
},
{
"id": "mp-1094303",
"created_at": "2022-09-04T14:39:57.896261Z",
"structure_string": "Sr4 Mg2\n1.0\n2.128643 -3.686918 0.000000\n2.128643 3.686918 0.000000\n0.000000 0.000000 17.375829\nSr Mg\n4 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.800080 Sr\n0.333333 0.666667 0.500000 Sr\n0.333333 0.666667 0.199920 Sr\n0.000000 0.000000 0.649510 Mg\n0.000000 0.000000 0.350490 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.429842388710933,
"density_atomic": 0.021999327812506464,
"volume": 272.73560588469627,
"volume_molar": 27.374203481692085,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.39642527,
"energy_per_atom": -1.5660708783333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.39642527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1983448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.841000Z",
"spacegroup": 187
},
{
"id": "mp-9385",
"created_at": "2022-09-04T14:39:46.779509Z",
"structure_string": "Rb1 Au3 Se2\n1.0\n3.144887 -5.447104 0.000000\n3.144887 5.447104 0.000000\n0.000000 0.000000 5.630665\nRb Au Se\n1 3 2\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Au\n0.500000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.333333 0.666667 0.698975 Se\n0.666667 0.333333 0.301025 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Se"
],
"chemical_system": "Au-Rb-Se",
"density": 7.181322658792382,
"density_atomic": 0.031102181595417607,
"volume": 192.91251263493365,
"volume_molar": 19.362438424214147,
"formula_full": "Rb1 Au3 Se2",
"formula_reduced": "RbAu3Se2",
"formula_anonymous": "AB2C3",
"energy": -21.44661245,
"energy_per_atom": -3.574435408333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.50261245,
"band_gap": 1.7326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007582,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.671000Z",
"spacegroup": 164
},
{
"id": "mp-1225510",
"created_at": "2022-09-04T14:39:46.797708Z",
"structure_string": "Dy1 Pa1 O4\n1.0\n3.811910 0.000000 0.000000\n0.000000 3.811910 0.000000\n0.000000 0.000000 5.396797\nDy Pa O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Pa\n0.500000 0.000000 0.740062 O\n0.000000 0.500000 0.259938 O\n0.500000 0.000000 0.259938 O\n0.000000 0.500000 0.740062 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Pa",
"O"
],
"chemical_system": "Dy-O-Pa",
"density": 9.688367797599852,
"density_atomic": 0.07651205935612868,
"volume": 78.41901068265254,
"volume_molar": 7.870838676514622,
"formula_full": "Dy1 Pa1 O4",
"formula_reduced": "DyPaO4",
"formula_anonymous": "ABC4",
"energy": -59.05207528,
"energy_per_atom": -9.842012546666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.30407527999999,
"band_gap": 2.4003999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.820000Z",
"spacegroup": 123
},
{
"id": "mp-1218305",
"created_at": "2022-09-04T14:39:57.956260Z",
"structure_string": "Sr1 Eu1 C4\n1.0\n-2.027164 -2.027164 -3.348133\n2.027164 2.027164 -3.348133\n4.065903 -4.065903 0.000000\nSr Eu C\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Eu\n0.405118 0.405118 0.000000 C\n0.905764 0.905764 0.500000 C\n0.094236 0.094236 0.500000 C\n0.594882 0.594882 0.000000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Eu",
"C"
],
"chemical_system": "C-Eu-Sr",
"density": 4.326830234127375,
"density_atomic": 0.05435539537388758,
"volume": 110.38462619448464,
"volume_molar": 11.079195944719492,
"formula_full": "Sr1 Eu1 C4",
"formula_reduced": "SrEuC4",
"formula_anonymous": "ABC4",
"energy": -48.73937468999999,
"energy_per_atom": -8.123229115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.73937468999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9794589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.364000Z",
"spacegroup": 65
},
{
"id": "mp-1226686",
"created_at": "2022-09-04T14:39:43.334328Z",
"structure_string": "Ce2 Ge2 Pt2\n1.0\n-4.421110 0.000000 0.000000\n-2.210556 -3.690374 3.937492\n2.210556 3.567287 3.817880\nCe Ge Pt\n2 2 2\ndirect\n0.766072 0.689685 0.221829 Ce\n0.233928 0.310315 0.778171 Ce\n0.068243 0.089497 0.225983 Ge\n0.931757 0.910503 0.774017 Ge\n0.529772 0.290964 0.350509 Pt\n0.470228 0.709036 0.649491 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Pt"
],
"chemical_system": "Ce-Ge-Pt",
"density": 10.888846771622047,
"density_atomic": 0.04823521576753671,
"volume": 124.39044595376565,
"volume_molar": 12.484946245545819,
"formula_full": "Ce2 Ge2 Pt2",
"formula_reduced": "CeGePt",
"formula_anonymous": "ABC",
"energy": -39.29518231,
"energy_per_atom": -6.549197051666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.29518231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.919000Z",
"spacegroup": 12
},
{
"id": "mp-1226669",
"created_at": "2022-09-04T14:39:43.323134Z",
"structure_string": "Ce2 Co2 Rh2\n1.0\n-2.533612 2.697155 3.611605\n2.533612 -2.697155 3.611605\n2.533612 2.697155 -3.611605\nCe Co Rh\n2 2 2\ndirect\n0.368314 0.118314 0.250000 Ce\n0.631686 0.881686 0.750000 Ce\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Rh"
],
"chemical_system": "Ce-Co-Rh",
"density": 10.158150207156508,
"density_atomic": 0.060777803534262,
"volume": 98.72025066877659,
"volume_molar": 9.908454089830945,
"formula_full": "Ce2 Co2 Rh2",
"formula_reduced": "CeCoRh",
"formula_anonymous": "ABC",
"energy": -43.72921984,
"energy_per_atom": -7.2882033066666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.72921984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0708926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.318000Z",
"spacegroup": 74
},
{
"id": "mp-1211224",
"created_at": "2022-09-04T14:39:57.919025Z",
"structure_string": "La1 Co3 Ni2\n1.0\n2.480376 -4.296137 0.000000\n2.480376 4.296137 0.000000\n0.000000 0.000000 4.074251\nLa Co Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Co",
"Ni"
],
"chemical_system": "Co-La-Ni",
"density": 8.282390340799186,
"density_atomic": 0.06909996561185905,
"volume": 86.83072338563176,
"volume_molar": 8.715113975348302,
"formula_full": "La1 Co3 Ni2",
"formula_reduced": "LaCo3Ni2",
"formula_anonymous": "AB2C3",
"energy": -38.49215363,
"energy_per_atom": -6.415358938333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.49215363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6493107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.232000Z",
"spacegroup": 191
},
{
"id": "mp-1216817",
"created_at": "2022-09-04T14:39:58.054985Z",
"structure_string": "U2 Si2 Au2\n1.0\n4.306936 0.000000 0.000000\n2.153468 -3.384356 3.935664\n-2.153468 -3.535303 -4.058501\nU Si Au\n2 2 2\ndirect\n0.556521 0.691758 0.804800 U\n0.443479 0.308242 0.195200 U\n0.850989 0.117092 0.819070 Si\n0.149011 0.882908 0.180930 Si\n0.171543 0.255700 0.598787 Au\n0.828457 0.744300 0.401213 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"Au"
],
"chemical_system": "Au-Si-U",
"density": 12.914732333652537,
"density_atomic": 0.05038492588432747,
"volume": 119.08323560452702,
"volume_molar": 11.952266782778421,
"formula_full": "U2 Si2 Au2",
"formula_reduced": "USiAu",
"formula_anonymous": "ABC",
"energy": -41.34011735,
"energy_per_atom": -6.890019558333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.48211735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1606109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.260000Z",
"spacegroup": 12
}
]
}