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_uncorrected&page=10234",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10232",
"results": [
{
"id": "mp-12804",
"created_at": "2022-09-04T14:40:23.137043Z",
"structure_string": "Sm2 Al2 Si2\n1.0\n-2.089782 2.089782 7.269375\n2.089782 -2.089782 7.269375\n2.089782 2.089782 -7.269375\nSm Al Si\n2 2 2\ndirect\n0.170565 0.170565 0.000000 Sm\n0.920565 0.420565 0.500000 Sm\n0.586716 0.586716 0.000000 Al\n0.336716 0.836716 0.500000 Al\n0.502320 0.002320 0.500000 Si\n0.752320 0.752320 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Al",
"Si"
],
"chemical_system": "Al-Si-Sm",
"density": 5.372515361686374,
"density_atomic": 0.04724895608924753,
"volume": 126.98693255077912,
"volume_molar": 12.745553041690295,
"formula_full": "Sm2 Al2 Si2",
"formula_reduced": "SmAlSi",
"formula_anonymous": "ABC",
"energy": -31.54089099,
"energy_per_atom": -5.256815165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.682890990000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021922,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.360000Z",
"spacegroup": 109
},
{
"id": "mp-36520",
"created_at": "2022-09-04T14:40:40.987000Z",
"structure_string": "Cs2 Cr2 I4\n1.0\n4.374746 -6.829936 0.000000\n4.374746 6.829936 0.000000\n0.000000 0.000000 6.514956\nCs Cr I\n2 2 4\ndirect\n0.340407 0.659593 0.750000 Cs\n0.659593 0.340407 0.250000 Cs\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.141250 0.329771 0.250000 I\n0.670229 0.858750 0.250000 I\n0.329771 0.141250 0.750000 I\n0.858750 0.670229 0.750000 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Cr",
"I"
],
"chemical_system": "Cr-Cs-I",
"density": 3.7423651003741014,
"density_atomic": 0.020548448084701652,
"volume": 389.32380523451843,
"volume_molar": 29.307034454263686,
"formula_full": "Cs2 Cr2 I4",
"formula_reduced": "CsCrI2",
"formula_anonymous": "ABC2",
"energy": -33.19682172,
"energy_per_atom": -4.149602715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.68082172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9994673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.829000Z",
"spacegroup": 63
},
{
"id": "mp-8540",
"created_at": "2022-09-04T14:41:36.874068Z",
"structure_string": "Nd1 Rh1 C2\n1.0\n2.365411 -3.318571 0.000000\n2.365411 3.318571 0.000000\n0.000000 0.000000 3.718364\nNd Rh C\n1 1 2\ndirect\n0.974955 0.025045 0.000000 Nd\n0.350748 0.649252 0.500000 Rh\n0.518493 0.196195 0.500000 C\n0.803805 0.481507 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Rh",
"C"
],
"chemical_system": "C-Nd-Rh",
"density": 7.713462166326294,
"density_atomic": 0.06852047550969767,
"volume": 58.37671105236102,
"volume_molar": 8.788819276579146,
"formula_full": "Nd1 Rh1 C2",
"formula_reduced": "NdRhC2",
"formula_anonymous": "ABC2",
"energy": -31.6785839,
"energy_per_atom": -7.919645975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.6785839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.448000Z",
"spacegroup": 38
},
{
"id": "mp-11322",
"created_at": "2022-09-04T14:40:38.701996Z",
"structure_string": "Zr2 Si2\n1.0\n1.893967 -4.970672 0.000000\n1.893967 4.970672 0.000000\n0.000000 0.000000 3.779075\nZr Si\n2 2\ndirect\n0.644960 0.355040 0.250000 Zr\n0.355040 0.644960 0.750000 Zr\n0.921110 0.078890 0.250000 Si\n0.078890 0.921110 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Si"
],
"chemical_system": "Si-Zr",
"density": 5.568665073590446,
"density_atomic": 0.05621561557134428,
"volume": 71.15460640866817,
"volume_molar": 10.712576387884946,
"formula_full": "Zr2 Si2",
"formula_reduced": "ZrSi",
"formula_anonymous": "AB",
"energy": -31.53407849,
"energy_per_atom": -7.8835196225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.67607849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004785,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.892000Z",
"spacegroup": 63
},
{
"id": "mp-1424898",
"created_at": "2022-09-04T14:47:08.829840Z",
"structure_string": "Y1 Bi1 O3\n1.0\n4.408542 0.000000 0.000000\n0.000000 4.408542 0.000000\n0.000000 0.000000 4.408542\nY Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Bi\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": [
"Y",
"Bi",
"O"
],
"chemical_system": "Bi-O-Y",
"density": 6.703400806382276,
"density_atomic": 0.058355938291938504,
"volume": 85.68108313135833,
"volume_molar": 10.31967086172603,
"formula_full": "Y1 Bi1 O3",
"formula_reduced": "YBiO3",
"formula_anonymous": "ABC3",
"energy": -33.73660926,
"energy_per_atom": -6.747321852000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.67560926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.361000Z",
"spacegroup": 221
},
{
"id": "mp-13679",
"created_at": "2022-09-04T14:45:11.979582Z",
"structure_string": "Pd2 F6\n1.0\n4.983794 -2.591981 0.000000\n4.983794 2.591981 0.000000\n3.635751 0.000000 4.282274\nPd F\n2 6\ndirect\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.107983 0.750000 0.392017 F\n0.392017 0.107983 0.750000 F\n0.250000 0.607983 0.892017 F\n0.607983 0.892017 0.250000 F\n0.892017 0.250000 0.607983 F\n0.750000 0.392017 0.107983 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pd",
"F"
],
"chemical_system": "F-Pd",
"density": 4.905409006533572,
"density_atomic": 0.07230921431422424,
"volume": 110.63596909289453,
"volume_molar": 8.328317237455256,
"formula_full": "Pd2 F6",
"formula_reduced": "PdF3",
"formula_anonymous": "AB3",
"energy": -34.44634873,
"energy_per_atom": -4.30579359125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.67434873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9517668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.674000Z",
"spacegroup": 167
},
{
"id": "mp-1075796",
"created_at": "2022-09-04T14:48:24.516297Z",
"structure_string": "Mg6 Si4\n1.0\n3.651827 3.907607 0.000000\n-3.651827 3.907607 0.000000\n0.000000 1.692167 6.658755\nMg Si\n6 4\ndirect\n0.639577 0.735931 0.518848 Mg\n0.360423 0.264069 0.481152 Mg\n0.842181 0.157819 0.750000 Mg\n0.157819 0.842181 0.250000 Mg\n0.264069 0.360423 0.981152 Mg\n0.735931 0.639577 0.018848 Mg\n0.337351 0.900765 0.836428 Si\n0.662649 0.099235 0.163572 Si\n0.099235 0.662649 0.663572 Si\n0.900765 0.337351 0.336428 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2558703225600705,
"density_atomic": 0.05262061193103084,
"volume": 190.03959918039098,
"volume_molar": 11.444452162382952,
"formula_full": "Mg6 Si4",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy": -31.38941231,
"energy_per_atom": -3.138941231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.67341231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:27.026000Z",
"spacegroup": 15
},
{
"id": "mp-1026722",
"created_at": "2022-09-04T14:42:40.680776Z",
"structure_string": "La1 Mg14 Sb1\n1.0\n6.488891 0.000000 0.000000\n-3.244445 5.619543 -0.000000\n0.000000 -0.000000 10.743906\nLa Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.174125 0.837062 0.125000 Mg\n0.163941 0.831970 0.625000 Mg\n0.662938 0.325875 0.125000 Mg\n0.668030 0.336059 0.625000 Mg\n0.662938 0.837062 0.125000 Mg\n0.668030 0.831970 0.625000 Mg\n0.333790 0.166210 0.378127 Mg\n0.333790 0.166210 0.871873 Mg\n0.333790 0.667580 0.378127 Mg\n0.333790 0.667580 0.871873 Mg\n0.832420 0.166210 0.378127 Mg\n0.832420 0.166210 0.871873 Mg\n0.833333 0.666667 0.369840 Mg\n0.833333 0.666667 0.880160 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Sb"
],
"chemical_system": "La-Mg-Sb",
"density": 2.547083946595682,
"density_atomic": 0.04084005374949511,
"volume": 391.7722561811712,
"volume_molar": 14.745672953661208,
"formula_full": "La1 Mg14 Sb1",
"formula_reduced": "LaMg14Sb",
"formula_anonymous": "ABC14",
"energy": -31.86538115,
"energy_per_atom": -1.991586321875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.67338115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1571516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.513000Z",
"spacegroup": 187
},
{
"id": "mp-861627",
"created_at": "2022-09-04T14:43:44.042614Z",
"structure_string": "Ti2 Al1 Mo1\n1.0\n0.000000 3.178618 3.178618\n3.178618 0.000000 3.178618\n3.178618 3.178618 0.000000\nTi Al Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Mo"
],
"chemical_system": "Al-Mo-Ti",
"density": 5.652812353712737,
"density_atomic": 0.06227517841743655,
"volume": 64.23104841527089,
"volume_molar": 9.670210367978406,
"formula_full": "Ti2 Al1 Mo1",
"formula_reduced": "Ti2AlMo",
"formula_anonymous": "ABC2",
"energy": -31.67298127,
"energy_per_atom": -7.9182453175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.67298127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.258000Z",
"spacegroup": 225
},
{
"id": "mp-1112067",
"created_at": "2022-09-04T14:44:00.628020Z",
"structure_string": "K2 Sb1 Au1 Cl6\n1.0\n0.000000 5.350442 5.350442\n5.350442 0.000000 5.350442\n5.350442 5.350442 0.000000\nK Sb Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.751576 0.248424 0.248424 Cl\n0.248424 0.248424 0.751576 Cl\n0.248424 0.751576 0.751576 Cl\n0.248424 0.751576 0.248424 Cl\n0.751576 0.248424 0.751576 Cl\n0.751576 0.751576 0.248424 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Sb",
"density": 3.3046419170044237,
"density_atomic": 0.03264382362024216,
"volume": 306.3366631413571,
"volume_molar": 18.448025053859563,
"formula_full": "K2 Sb1 Au1 Cl6",
"formula_reduced": "K2SbAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.35480913,
"energy_per_atom": -3.535480913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.67080913,
"band_gap": 0.351,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.950000Z",
"spacegroup": 225
},
{
"id": "mp-1187366",
"created_at": "2022-09-04T14:46:15.995064Z",
"structure_string": "Tb1 Ru3\n1.0\n4.057556 0.000000 0.000000\n0.000000 4.057556 0.000000\n0.000000 0.000000 4.057556\nTb Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ru"
],
"chemical_system": "Ru-Tb",
"density": 11.487478733093205,
"density_atomic": 0.05987788117234539,
"volume": 66.80263098299812,
"volume_molar": 10.057371172948796,
"formula_full": "Tb1 Ru3",
"formula_reduced": "TbRu3",
"formula_anonymous": "AB3",
"energy": -31.66817528,
"energy_per_atom": -7.91704382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.66817528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6434688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.799000Z",
"spacegroup": 221
},
{
"id": "mp-1183823",
"created_at": "2022-09-04T14:43:13.690459Z",
"structure_string": "Dy1 In1 O3\n1.0\n4.121735 0.000000 0.000000\n0.000000 4.121735 0.000000\n0.000000 0.000000 4.121735\nDy In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 In\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": [
"Dy",
"In",
"O"
],
"chemical_system": "Dy-In-O",
"density": 7.714620905876316,
"density_atomic": 0.07140519442511772,
"volume": 70.02291696360375,
"volume_molar": 8.433757247612272,
"formula_full": "Dy1 In1 O3",
"formula_reduced": "DyInO3",
"formula_anonymous": "ABC3",
"energy": -33.72539924,
"energy_per_atom": -6.7450798480000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.66439924,
"band_gap": 1.5367000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.985000Z",
"spacegroup": 221
}
]
}