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_anonymous&page=10184",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10182",
"results": [
{
"id": "mp-1068559",
"created_at": "2022-09-04T14:45:29.054083Z",
"structure_string": "La1 Co1 Si3\n1.0\n-2.086431 2.086431 4.852466\n2.086431 -2.086431 4.852466\n2.086431 2.086431 -4.852466\nLa Co Si\n1 1 3\ndirect\n0.004000 0.004000 0.000000 La\n0.662370 0.662370 0.000000 Co\n0.426319 0.426319 0.000000 Si\n0.261155 0.761155 0.500000 Si\n0.761155 0.261155 0.500000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Co",
"Si"
],
"chemical_system": "Co-La-Si",
"density": 5.54388475936105,
"density_atomic": 0.059175162377611966,
"volume": 84.4949096733138,
"volume_molar": 10.176804791123626,
"formula_full": "La1 Co1 Si3",
"formula_reduced": "LaCoSi3",
"formula_anonymous": "ABC3",
"energy": -31.52771916,
"energy_per_atom": -6.305543832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.74071916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.604000Z",
"spacegroup": 107
},
{
"id": "mp-1077622",
"created_at": "2022-09-04T14:45:38.787956Z",
"structure_string": "Eu1 Ag1 O3\n1.0\n4.089373 0.000000 0.000000\n0.000000 4.089373 0.000000\n0.000000 0.000000 4.089373\nEu Ag O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Ag\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": [
"Eu",
"Ag",
"O"
],
"chemical_system": "Ag-Eu-O",
"density": 7.474642543153219,
"density_atomic": 0.07311387949518422,
"volume": 68.38646826734634,
"volume_molar": 8.23665875970466,
"formula_full": "Eu1 Ag1 O3",
"formula_reduced": "EuAgO3",
"formula_anonymous": "ABC3",
"energy": -35.5082453,
"energy_per_atom": -7.10164906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.4472453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.4883625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.950000Z",
"spacegroup": 221
},
{
"id": "mp-676280",
"created_at": "2022-09-04T14:45:54.104213Z",
"structure_string": "Na8 Ta8 O24\n1.0\n6.592312 0.024746 3.723996\n2.198541 6.034852 3.763261\n0.064706 0.142987 14.784429\nNa Ta O\n8 8 24\ndirect\n0.011738 0.995705 0.476632 Na\n0.991468 0.521761 0.227827 Na\n0.529488 0.982664 0.237100 Na\n0.520650 0.495332 0.254187 Na\n0.029805 0.464062 0.772653 Na\n0.510709 0.485539 0.513856 Na\n0.487482 0.503995 0.752889 Na\n0.492512 0.541480 0.974130 Na\n0.995775 0.002259 0.998624 Ta\n0.000932 0.993072 0.246942 Ta\n0.498694 0.996869 0.005469 Ta\n0.483248 0.987571 0.487595 Ta\n0.998919 0.003967 0.746839 Ta\n0.597638 0.002963 0.699794 Ta\n0.999716 0.501980 0.003922 Ta\n0.983759 0.484934 0.485436 Ta\n0.066946 0.682460 0.038549 O\n0.062868 0.756042 0.386324 O\n0.682625 0.062134 0.043370 O\n0.297192 0.313970 0.452496 O\n0.316310 0.922810 0.179397 O\n0.044770 0.072513 0.845822 O\n0.703285 0.090484 0.346485 O\n0.683389 0.673441 0.051177 O\n0.058885 0.683572 0.848452 O\n0.632504 0.054083 0.554901 O\n0.953072 0.307399 0.173580 O\n0.378291 0.904540 0.428413 O\n0.405324 0.284733 0.709044 O\n0.308779 0.310193 0.979037 O\n0.283618 0.925091 0.645488 O\n0.925997 0.387727 0.413675 O\n0.928746 0.896071 0.179870 O\n0.681308 0.052636 0.851334 O\n0.683680 0.678360 0.533027 O\n0.942415 0.318210 0.644932 O\n0.562725 0.729622 0.794218 O\n0.292802 0.932392 0.992255 O\n0.928461 0.309148 0.981661 O\n0.899476 0.938218 0.667599 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"Ta",
"O"
],
"chemical_system": "Na-O-Ta",
"density": 5.735240891882549,
"density_atomic": 0.06854607641998299,
"volume": 583.5490824437464,
"volume_molar": 8.785536787112713,
"formula_full": "Na8 Ta8 O24",
"formula_reduced": "NaTaO3",
"formula_anonymous": "ABC3",
"energy": -343.11398542,
"energy_per_atom": -8.5778496355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -326.62598542,
"band_gap": 3.4067,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.793000Z",
"spacegroup": 1
},
{
"id": "mp-753945",
"created_at": "2022-09-04T14:45:37.343233Z",
"structure_string": "Cl4 O4 F12\n1.0\n4.972977 0.000000 0.000000\n-0.073792 7.977087 0.000000\n-0.018748 -1.736773 7.786166\nCl O F\n4 4 12\ndirect\n0.512487 0.719873 0.742269 Cl\n0.019509 0.838261 0.183314 Cl\n0.980491 0.161739 0.816686 Cl\n0.487513 0.280127 0.257731 Cl\n0.641844 0.571019 0.768271 O\n0.175699 0.840698 0.332270 O\n0.824301 0.159302 0.667730 O\n0.358156 0.428981 0.231729 O\n0.763560 0.876507 0.868491 F\n0.642580 0.770484 0.567050 F\n0.753001 0.292464 0.969976 F\n0.742112 0.961756 0.286093 F\n0.243344 0.622350 0.614342 F\n0.180331 0.334648 0.843484 F\n0.819669 0.665352 0.156516 F\n0.756656 0.377650 0.385658 F\n0.246999 0.707536 0.030024 F\n0.257888 0.038244 0.713907 F\n0.357420 0.229516 0.432950 F\n0.236440 0.123493 0.131509 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-O",
"density": 2.3320863916685086,
"density_atomic": 0.06475086252136998,
"volume": 308.87619440434975,
"volume_molar": 9.300479600580593,
"formula_full": "Cl4 O4 F12",
"formula_reduced": "ClOF3",
"formula_anonymous": "ABC3",
"energy": -68.49735933,
"energy_per_atom": -3.4248679665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.20535932999999,
"band_gap": 3.6499,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.541000Z",
"spacegroup": 2
},
{
"id": "mp-5821",
"created_at": "2022-09-04T14:45:37.970773Z",
"structure_string": "Ta2 Ag2 S6\n1.0\n1.696048 -7.180126 0.000000\n1.696048 7.180126 0.000000\n0.000000 0.000000 7.785995\nTa Ag S\n2 2 6\ndirect\n0.736990 0.263010 0.750000 Ta\n0.263010 0.736990 0.250000 Ta\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.325398 0.674602 0.929648 S\n0.674602 0.325398 0.070352 S\n0.674602 0.325398 0.429648 S\n0.325398 0.674602 0.570352 S\n0.104304 0.895696 0.750000 S\n0.895696 0.104304 0.250000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"S"
],
"chemical_system": "Ag-S-Ta",
"density": 6.74276463558883,
"density_atomic": 0.052733388557413156,
"volume": 189.63317688398803,
"volume_molar": 11.41997683961354,
"formula_full": "Ta2 Ag2 S6",
"formula_reduced": "TaAgS3",
"formula_anonymous": "ABC3",
"energy": -63.79952064999999,
"energy_per_atom": -6.3799520649999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.78152064999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127216,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.652000Z",
"spacegroup": 63
},
{
"id": "mp-510490",
"created_at": "2022-09-04T14:45:38.729302Z",
"structure_string": "Gd4 Sc4 S12\n1.0\n6.429938 0.000000 0.000000\n0.000000 7.073275 0.000000\n0.000000 0.000000 9.553256\nGd Sc S\n4 4 12\ndirect\n0.039757 0.100490 0.250000 Gd\n0.960243 0.899510 0.750000 Gd\n0.460243 0.600490 0.250000 Gd\n0.539757 0.399510 0.750000 Gd\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.323338 0.314826 0.431385 S\n0.676662 0.685174 0.931385 S\n0.323338 0.314826 0.068615 S\n0.823338 0.185174 0.568615 S\n0.176662 0.814826 0.431385 S\n0.139655 0.544962 0.750000 S\n0.860345 0.455038 0.250000 S\n0.639655 0.955038 0.250000 S\n0.823338 0.185174 0.931385 S\n0.360345 0.044962 0.750000 S\n0.676662 0.685174 0.568615 S\n0.176662 0.814826 0.068615 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Gd",
"Sc",
"S"
],
"chemical_system": "Gd-S-Sc",
"density": 4.561739600302408,
"density_atomic": 0.04603108919616971,
"volume": 434.48895842473826,
"volume_molar": 13.082768331497808,
"formula_full": "Gd4 Sc4 S12",
"formula_reduced": "GdScS3",
"formula_anonymous": "ABC3",
"energy": -177.23585648,
"energy_per_atom": -8.861792824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.19985648,
"band_gap": 1.1773999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 27.9990216,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.984000Z",
"spacegroup": 62
},
{
"id": "mp-27994",
"created_at": "2022-09-04T14:45:37.608152Z",
"structure_string": "Hg4 Br4 O12\n1.0\n2.364002 9.595126 0.000000\n-2.364002 9.595126 0.000000\n0.000000 2.527116 8.713371\nHg Br O\n4 4 12\ndirect\n0.036811 0.093686 0.512366 Hg\n0.906314 0.963189 0.987634 Hg\n0.963189 0.906314 0.487634 Hg\n0.093686 0.036811 0.012366 Hg\n0.609147 0.737407 0.163172 Br\n0.262593 0.390853 0.336828 Br\n0.390853 0.262593 0.836828 Br\n0.737407 0.609147 0.663172 Br\n0.664528 0.515218 0.198240 O\n0.484782 0.335472 0.301760 O\n0.335472 0.484782 0.801760 O\n0.515218 0.664528 0.698240 O\n0.458702 0.895715 0.326440 O\n0.104285 0.541298 0.173560 O\n0.541298 0.104285 0.673560 O\n0.895715 0.458702 0.826440 O\n0.019978 0.322998 0.541514 O\n0.677002 0.980022 0.958486 O\n0.980022 0.677002 0.458486 O\n0.322998 0.019978 0.041514 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-O",
"density": 5.519750242286338,
"density_atomic": 0.050595893799882774,
"volume": 395.2889947770097,
"volume_molar": 11.902429837130287,
"formula_full": "Hg4 Br4 O12",
"formula_reduced": "HgBrO3",
"formula_anonymous": "ABC3",
"energy": -75.06338865,
"energy_per_atom": -3.7531694324999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.81938865,
"band_gap": 3.2015,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029253,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.475000Z",
"spacegroup": 15
},
{
"id": "mp-8868",
"created_at": "2022-09-04T14:45:54.229154Z",
"structure_string": "Ba6 Na2 N2\n1.0\n4.260210 -7.378900 0.000000\n4.260210 7.378900 0.000000\n0.000000 0.000000 7.004026\nBa Na N\n6 2 2\ndirect\n0.856145 0.712289 0.250000 Ba\n0.712289 0.856145 0.750000 Ba\n0.856145 0.143855 0.250000 Ba\n0.143855 0.856145 0.750000 Ba\n0.143855 0.287711 0.750000 Ba\n0.287711 0.143855 0.250000 Ba\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Na",
"N"
],
"chemical_system": "Ba-N-Na",
"density": 3.3861271606654837,
"density_atomic": 0.02270908430275433,
"volume": 440.35240992905756,
"volume_molar": 26.518641965980063,
"formula_full": "Ba6 Na2 N2",
"formula_reduced": "Ba3NaN",
"formula_anonymous": "ABC3",
"energy": -34.19354647,
"energy_per_atom": -3.419354647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.47154647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7508254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.032000Z",
"spacegroup": 194
},
{
"id": "mp-768353",
"created_at": "2022-09-04T14:45:54.178613Z",
"structure_string": "Y6 Tm6 O18\n1.0\n3.191894 -5.528523 0.000000\n3.191894 5.528523 0.000000\n0.000000 0.000000 12.699695\nY Tm O\n6 6 18\ndirect\n0.333333 0.666667 0.237119 Y\n0.000000 0.000000 0.270452 Y\n0.000000 0.000000 0.770452 Y\n0.333333 0.666667 0.737119 Y\n0.666667 0.333333 0.737119 Y\n0.666667 0.333333 0.237119 Y\n0.000000 0.666749 0.501620 Tm\n0.000000 0.333251 0.001620 Tm\n0.333251 0.333251 0.501620 Tm\n0.666749 0.666749 0.001620 Tm\n0.333251 0.000000 0.001620 Tm\n0.666749 0.000000 0.501620 Tm\n0.000000 0.692514 0.673801 O\n0.000000 0.639313 0.330643 O\n0.000000 0.360687 0.830643 O\n0.000000 0.307486 0.173801 O\n0.333333 0.666667 0.026910 O\n0.000000 0.000000 0.470929 O\n0.000000 0.000000 0.970929 O\n0.333333 0.666667 0.526910 O\n0.307486 0.307486 0.673801 O\n0.360687 0.360687 0.330643 O\n0.307486 0.000000 0.173801 O\n0.639313 0.639313 0.830643 O\n0.692514 0.692514 0.173801 O\n0.360687 0.000000 0.830643 O\n0.666667 0.333333 0.526910 O\n0.666667 0.333333 0.026910 O\n0.639313 0.000000 0.330643 O\n0.692514 0.000000 0.673801 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Tm",
"O"
],
"chemical_system": "O-Tm-Y",
"density": 6.798471705032728,
"density_atomic": 0.0669330148143217,
"volume": 448.20930423084536,
"volume_molar": 8.997265066732716,
"formula_full": "Y6 Tm6 O18",
"formula_reduced": "YTmO3",
"formula_anonymous": "ABC3",
"energy": -273.38545469,
"energy_per_atom": -9.112848489666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.01945469,
"band_gap": 3.1706000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.314000Z",
"spacegroup": 185
},
{
"id": "mp-1014168",
"created_at": "2022-09-04T14:45:41.250883Z",
"structure_string": "Cs2 Pb2 Br6\n1.0\n-4.223557 4.223557 5.990673\n4.223557 -4.223557 5.990673\n4.223557 4.223557 -5.990673\nCs Pb Br\n2 2 6\ndirect\n0.750000 0.250000 0.500000 Cs\n0.250000 0.750000 0.500000 Cs\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.250000 0.250000 0.000000 Br\n0.750000 0.750000 0.000000 Br\n0.719231 0.219231 0.938463 Br\n0.280769 0.780769 0.061537 Br\n0.219231 0.280769 0.500000 Br\n0.780769 0.719231 0.500000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Pb",
"Br"
],
"chemical_system": "Br-Cs-Pb",
"density": 4.504826313455007,
"density_atomic": 0.02339417180308663,
"volume": 427.4568932882932,
"volume_molar": 25.742055802144012,
"formula_full": "Cs2 Pb2 Br6",
"formula_reduced": "CsPbBr3",
"formula_anonymous": "ABC3",
"energy": -35.31680547,
"energy_per_atom": -3.5316805469999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.11280547,
"band_gap": 1.8178,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.080000Z",
"spacegroup": 140
},
{
"id": "mp-7492",
"created_at": "2022-09-04T14:45:37.230501Z",
"structure_string": "La2 B2 O6\n1.0\n5.130665 0.000000 0.000000\n0.000000 4.188185 0.000000\n0.000000 2.019766 6.102033\nLa B O\n2 2 6\ndirect\n0.750000 0.383346 0.776191 La\n0.250000 0.616654 0.223809 La\n0.750000 0.001236 0.253753 B\n0.250000 0.998764 0.746247 B\n0.982732 0.157003 0.171205 O\n0.482732 0.842997 0.828795 O\n0.250000 0.328487 0.611373 O\n0.750000 0.671513 0.388627 O\n0.017268 0.842997 0.828795 O\n0.517268 0.157003 0.171205 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"B",
"O"
],
"chemical_system": "B-La-O",
"density": 5.007764757106462,
"density_atomic": 0.07626511545826138,
"volume": 131.1215480355869,
"volume_molar": 7.896324189394058,
"formula_full": "La2 B2 O6",
"formula_reduced": "LaBO3",
"formula_anonymous": "ABC3",
"energy": -88.05830275,
"energy_per_atom": -8.805830275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.93630275,
"band_gap": 4.002199999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.174000Z",
"spacegroup": 11
},
{
"id": "mp-1232305",
"created_at": "2022-09-04T14:45:41.234151Z",
"structure_string": "Y2 Mg2 Se6\n1.0\n5.980343 4.156127 0.000000\n-5.980343 4.156127 0.000000\n0.000000 3.444132 5.784864\nY Mg Se\n2 2 6\ndirect\n0.776604 0.776604 0.227497 Y\n0.223396 0.223396 0.772503 Y\n0.332924 0.667076 0.000000 Mg\n0.667076 0.332924 0.000000 Mg\n0.203263 0.895473 0.195928 Se\n0.796737 0.104527 0.804072 Se\n0.104527 0.796737 0.804072 Se\n0.895473 0.203263 0.195928 Se\n0.584083 0.584083 0.708309 Se\n0.415917 0.415917 0.291691 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Y",
"density": 4.043168126265262,
"density_atomic": 0.03477458434164902,
"volume": 287.56634160607763,
"volume_molar": 17.31764986990044,
"formula_full": "Y2 Mg2 Se6",
"formula_reduced": "YMgSe3",
"formula_anonymous": "ABC3",
"energy": -51.51392949,
"energy_per_atom": -5.151392949,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.68192949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.569000Z",
"spacegroup": 12
}
]
}