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=-formula_reduced&page=11561",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=11559",
"results": [
{
"id": "mp-10070",
"created_at": "2022-09-04T14:41:35.806831Z",
"structure_string": "Ba4 Ag4 P12 O36\n1.0\n6.072151 0.000000 0.000000\n0.000000 11.309948 0.000000\n0.000000 0.000000 12.471077\nBa Ag P O\n4 4 12 36\ndirect\n0.097612 0.108750 0.080768 Ba\n0.597612 0.391250 0.919232 Ba\n0.902388 0.608750 0.419232 Ba\n0.402388 0.891250 0.580768 Ba\n0.103113 0.483329 0.133580 Ag\n0.603113 0.016671 0.866420 Ag\n0.896887 0.983329 0.366420 Ag\n0.396887 0.516671 0.633580 Ag\n0.110475 0.847100 0.856291 P\n0.610475 0.652900 0.143709 P\n0.889525 0.347100 0.643709 P\n0.389525 0.152900 0.356291 P\n0.913490 0.707283 0.685646 P\n0.413490 0.792717 0.314354 P\n0.086510 0.207283 0.814354 P\n0.586510 0.292717 0.185646 P\n0.108666 0.587538 0.868306 P\n0.608666 0.912462 0.131694 P\n0.891334 0.087538 0.631694 P\n0.391334 0.412462 0.368306 P\n0.013579 0.935468 0.931694 O\n0.513579 0.564532 0.068306 O\n0.986421 0.435468 0.568306 O\n0.486421 0.064532 0.431694 O\n0.325935 0.870384 0.800823 O\n0.825935 0.629616 0.199177 O\n0.674065 0.370384 0.699177 O\n0.174065 0.129616 0.300823 O\n0.694184 0.704015 0.630284 O\n0.194184 0.795985 0.369716 O\n0.305816 0.204015 0.869716 O\n0.805816 0.295985 0.130284 O\n0.113325 0.703715 0.613118 O\n0.613325 0.796285 0.386882 O\n0.886675 0.203715 0.886882 O\n0.386675 0.296285 0.113118 O\n0.327269 0.552894 0.821143 O\n0.827269 0.947106 0.178857 O\n0.672731 0.052894 0.678857 O\n0.172731 0.447106 0.321143 O\n0.383737 0.280472 0.417517 O\n0.883737 0.219528 0.582483 O\n0.616263 0.780472 0.082483 O\n0.116263 0.719528 0.917517 O\n0.576844 0.178227 0.263360 O\n0.076844 0.321773 0.736640 O\n0.423156 0.678227 0.236640 O\n0.923156 0.821773 0.763360 O\n0.575028 0.398636 0.273252 O\n0.075028 0.101364 0.726748 O\n0.424972 0.898636 0.226748 O\n0.924972 0.601364 0.773252 O\n0.494850 0.494254 0.449177 O\n0.994850 0.005746 0.550823 O\n0.505150 0.994254 0.050823 O\n0.005150 0.505746 0.949177 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-Ba-O-P",
"density": 3.7389449861685162,
"density_atomic": 0.06538541661275545,
"volume": 856.4600931069921,
"volume_molar": 9.21022006430895,
"formula_full": "Ba4 Ag4 P12 O36",
"formula_reduced": "BaAg(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -409.1658424900001,
"energy_per_atom": -7.306532901607144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -384.43384249,
"band_gap": 3.3851000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.360000Z",
"spacegroup": 19
},
{
"id": "mp-9899",
"created_at": "2022-09-04T14:43:55.616796Z",
"structure_string": "Ba2 Ag2 P2\n1.0\n2.265988 -3.924807 0.000000\n2.265988 3.924807 0.000000\n0.000000 0.000000 9.037968\nBa Ag P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"P"
],
"chemical_system": "Ag-Ba-P",
"density": 5.7052838278433535,
"density_atomic": 0.03732282807967864,
"volume": 160.7595219523799,
"volume_molar": 16.135274495125696,
"formula_full": "Ba2 Ag2 P2",
"formula_reduced": "BaAgP",
"formula_anonymous": "ABC",
"energy": -24.69004244,
"energy_per_atom": -4.1150070733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.69004244,
"band_gap": 0.1217000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027942,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.485000Z",
"spacegroup": 194
},
{
"id": "mp-996990",
"created_at": "2022-09-04T14:46:23.023682Z",
"structure_string": "Ba1 Ag1 O2\n1.0\n4.334480 0.000000 0.000000\n0.000000 4.334480 0.000000\n0.000000 0.000000 3.735860\nBa Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 6.557953355912471,
"density_atomic": 0.05698957152098124,
"volume": 70.18827994745254,
"volume_molar": 10.567092538646113,
"formula_full": "Ba1 Ag1 O2",
"formula_reduced": "BaAgO2",
"formula_anonymous": "ABC2",
"energy": -21.66030653,
"energy_per_atom": -5.4150766325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.28630653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.492000Z",
"spacegroup": 123
},
{
"id": "mp-1096845",
"created_at": "2022-09-04T14:42:17.598183Z",
"structure_string": "Ba2 Ag2 O4\n1.0\n5.008043 3.822562 0.000000\n-5.008043 3.822562 0.000000\n0.000000 0.056788 3.916964\nBa Ag O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.293519 0.706481 0.500000 O\n0.706481 0.293519 0.500000 O\n0.751896 0.751896 0.273150 O\n0.248104 0.248104 0.726850 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 6.138478733760465,
"density_atomic": 0.053344275849761556,
"volume": 149.96923048559407,
"volume_molar": 11.289197695664132,
"formula_full": "Ba2 Ag2 O4",
"formula_reduced": "BaAgO2",
"formula_anonymous": "ABC2",
"energy": -43.0453298,
"energy_per_atom": -5.380666225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.2973298,
"band_gap": 0.7334,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.703000Z",
"spacegroup": 12
},
{
"id": "mp-996979",
"created_at": "2022-09-04T14:44:16.550236Z",
"structure_string": "Ba2 Ag2 O4\n1.0\n1.966607 -8.801777 0.000000\n1.966607 8.801777 0.000000\n0.000000 0.000000 4.401829\nBa Ag O\n2 2 4\ndirect\n0.332005 0.667995 0.250000 Ba\n0.667995 0.332005 0.750000 Ba\n0.062839 0.937161 0.250000 Ag\n0.937161 0.062839 0.750000 Ag\n0.182873 0.817127 0.250000 O\n0.941283 0.058717 0.250000 O\n0.817127 0.182873 0.750000 O\n0.058717 0.941283 0.750000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 6.0410414255946,
"density_atomic": 0.052497531424913806,
"volume": 152.3881177430646,
"volume_molar": 11.471283690002357,
"formula_full": "Ba2 Ag2 O4",
"formula_reduced": "BaAgO2",
"formula_anonymous": "ABC2",
"energy": -43.16252082,
"energy_per_atom": -5.3953151025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.41452082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.075000Z",
"spacegroup": 63
},
{
"id": "mp-1096838",
"created_at": "2022-09-04T14:48:26.133568Z",
"structure_string": "Ba2 Ag4 O4\n1.0\n-3.000696 3.000696 5.450180\n3.000696 -3.000696 5.450180\n3.000696 3.000696 -5.450180\nBa Ag O\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.375000 0.125000 0.250000 Ag\n0.875000 0.125000 0.250000 Ag\n0.875000 0.625000 0.750000 Ag\n0.875000 0.125000 0.750000 Ag\n0.010020 0.510020 0.500000 O\n0.260020 0.260020 0.000000 O\n0.739980 0.739980 0.000000 O\n0.489980 0.989980 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 6.514710857282753,
"density_atomic": 0.05094307595865671,
"volume": 196.29753036733757,
"volume_molar": 11.821313587124813,
"formula_full": "Ba2 Ag4 O4",
"formula_reduced": "Ba(AgO)2",
"formula_anonymous": "AB2C2",
"energy": -48.98956491,
"energy_per_atom": -4.898956491,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.24156491,
"band_gap": 1.7273,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.937000Z",
"spacegroup": 141
},
{
"id": "mp-13910",
"created_at": "2022-09-04T14:47:45.027412Z",
"structure_string": "Ba1 Ag2 Ge2\n1.0\n-2.333678 2.333678 5.452311\n2.333678 -2.333678 5.452311\n2.333678 2.333678 -5.452311\nBa Ag Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.617251 0.617251 0.000000 Ge\n0.382749 0.382749 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ba-Ge",
"density": 6.967152760108303,
"density_atomic": 0.04209664925059128,
"volume": 118.77429888151423,
"volume_molar": 14.305510930695785,
"formula_full": "Ba1 Ag2 Ge2",
"formula_reduced": "Ba(AgGe)2",
"formula_anonymous": "AB2C2",
"energy": -18.48992278,
"energy_per_atom": -3.697984556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.48992278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.411000Z",
"spacegroup": 139
},
{
"id": "mp-30332",
"created_at": "2022-09-04T14:44:10.704302Z",
"structure_string": "Ba2 Ag2 Bi2\n1.0\n2.916488 -5.051505 0.000000\n2.916488 5.051505 0.000000\n0.000000 0.000000 7.040773\nBa Ag Bi\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Bi"
],
"chemical_system": "Ag-Ba-Bi",
"density": 7.270622104318032,
"density_atomic": 0.02892144122676448,
"volume": 207.4585409819577,
"volume_molar": 20.8224089276263,
"formula_full": "Ba2 Ag2 Bi2",
"formula_reduced": "BaAgBi",
"formula_anonymous": "ABC",
"energy": -19.03012702,
"energy_per_atom": -3.1716878366666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.03012702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.655000Z",
"spacegroup": 194
},
{
"id": "mp-1205318",
"created_at": "2022-09-04T14:47:08.531154Z",
"structure_string": "Ba2 Ag2 Bi2\n1.0\n2.518981 -4.363003 0.000000\n2.518981 4.363003 0.000000\n0.000000 0.000000 9.475084\nBa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Bi"
],
"chemical_system": "Ag-Ba-Bi",
"density": 7.242348579265253,
"density_atomic": 0.028808973396452994,
"volume": 208.26844182995876,
"volume_molar": 20.90369787609806,
"formula_full": "Ba2 Ag2 Bi2",
"formula_reduced": "BaAgBi",
"formula_anonymous": "ABC",
"energy": -21.23223476,
"energy_per_atom": -3.5387057933333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.23223476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.348000Z",
"spacegroup": 194
},
{
"id": "mp-7359",
"created_at": "2022-09-04T14:40:07.686672Z",
"structure_string": "Ba2 Ag2 As2\n1.0\n2.336384 -4.046735 0.000000\n2.336384 4.046735 0.000000\n0.000000 0.000000 9.120371\nBa Ag As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"As"
],
"chemical_system": "Ag-As-Ba",
"density": 6.164474640473252,
"density_atomic": 0.03479042712773214,
"volume": 172.46123417718204,
"volume_molar": 17.30976379763855,
"formula_full": "Ba2 Ag2 As2",
"formula_reduced": "BaAgAs",
"formula_anonymous": "ABC",
"energy": -23.56524511,
"energy_per_atom": -3.9275408516666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.56524511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.19e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.742000Z",
"spacegroup": 194
},
{
"id": "mp-29682",
"created_at": "2022-09-04T14:41:49.637060Z",
"structure_string": "Ba4 Ag32 S20\n1.0\n17.713660 0.000000 0.000000\n0.000000 7.877608 0.000000\n0.000000 2.842594 8.633264\nBa Ag S\n4 32 20\ndirect\n0.750000 0.561089 0.253031 Ba\n0.250000 0.438911 0.746969 Ba\n0.750000 0.599844 0.713786 Ba\n0.250000 0.400156 0.286214 Ba\n0.838293 0.053874 0.130146 Ag\n0.161707 0.946126 0.869854 Ag\n0.450972 0.685781 0.788755 Ag\n0.950972 0.314219 0.211245 Ag\n0.549028 0.314219 0.211245 Ag\n0.661707 0.053874 0.130146 Ag\n0.494362 0.938441 0.354218 Ag\n0.994362 0.061559 0.645782 Ag\n0.505638 0.061559 0.645782 Ag\n0.005638 0.938441 0.354218 Ag\n0.448971 0.629554 0.152869 Ag\n0.948971 0.370446 0.847131 Ag\n0.551029 0.370446 0.847131 Ag\n0.051029 0.629554 0.152869 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.096819 0.258808 0.072540 Ag\n0.596819 0.741192 0.927460 Ag\n0.903181 0.741192 0.927460 Ag\n0.403181 0.258808 0.072540 Ag\n0.163148 0.887643 0.220334 Ag\n0.663148 0.112357 0.779666 Ag\n0.836852 0.112357 0.779666 Ag\n0.336852 0.887643 0.220334 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.159742 0.898926 0.542154 Ag\n0.659742 0.101074 0.457846 Ag\n0.840258 0.101074 0.457846 Ag\n0.340258 0.898926 0.542154 Ag\n0.049028 0.685781 0.788755 Ag\n0.338293 0.946126 0.869854 Ag\n0.134656 0.632617 0.455052 S\n0.634656 0.367383 0.544948 S\n0.865344 0.367383 0.544948 S\n0.365344 0.632617 0.455052 S\n0.846521 0.394506 0.027473 S\n0.346521 0.605494 0.972527 S\n0.750000 0.877952 0.932281 S\n0.250000 0.122048 0.067719 S\n0.069251 0.227877 0.357333 S\n0.569251 0.772123 0.642667 S\n0.930749 0.772123 0.642667 S\n0.430749 0.227877 0.357333 S\n0.750000 0.905120 0.379334 S\n0.250000 0.094880 0.620666 S\n0.071408 0.231007 0.797119 S\n0.571408 0.768993 0.202881 S\n0.928592 0.768993 0.202881 S\n0.428592 0.231007 0.797119 S\n0.153479 0.605494 0.972527 S\n0.653479 0.394506 0.027473 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"S"
],
"chemical_system": "Ag-Ba-S",
"density": 6.399014067819422,
"density_atomic": 0.04648473238004648,
"volume": 1204.69662043355,
"volume_molar": 12.955093966691303,
"formula_full": "Ba4 Ag32 S20",
"formula_reduced": "BaAg8S5",
"formula_anonymous": "AB5C8",
"energy": -210.58606292,
"energy_per_atom": -3.760465409285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.52606292,
"band_gap": 0.4565999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004849,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.960000Z",
"spacegroup": 11
},
{
"id": "mp-1814",
"created_at": "2022-09-04T14:41:49.717284Z",
"structure_string": "Ba1 Ag5\n1.0\n2.994796 -5.187138 0.000000\n2.994796 5.187138 0.000000\n0.000000 0.000000 4.583813\nBa Ag\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Ag\n0.666667 0.333333 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Ag"
],
"chemical_system": "Ag-Ba",
"density": 7.889923678275579,
"density_atomic": 0.04213076219887957,
"volume": 142.41375391398842,
"volume_molar": 14.293927870500655,
"formula_full": "Ba1 Ag5",
"formula_reduced": "BaAg5",
"formula_anonymous": "AB5",
"energy": -17.06366766,
"energy_per_atom": -2.84394461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.06366766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0221171,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.089000Z",
"spacegroup": 191
}
]
}