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=11542",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=11540",
"results": [
{
"id": "mp-19817",
"created_at": "2022-09-04T14:45:55.420250Z",
"structure_string": "Y3 In1 C1\n1.0\n4.929275 0.000000 0.000000\n0.000000 4.929275 0.000000\n0.000000 0.000000 4.929275\nY In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"In",
"C"
],
"chemical_system": "C-In-Y",
"density": 5.4562684891077815,
"density_atomic": 0.04174657600868355,
"volume": 119.77030161611263,
"volume_molar": 14.425472303997717,
"formula_full": "Y3 In1 C1",
"formula_reduced": "Y3InC",
"formula_anonymous": "ABC3",
"energy": -34.039958,
"energy_per_atom": -6.807991599999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.039958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.924000Z",
"spacegroup": 221
},
{
"id": "mp-1201568",
"created_at": "2022-09-04T14:45:58.965371Z",
"structure_string": "Y12 In4 S24\n1.0\n3.877454 0.000000 0.000000\n0.000000 13.448444 0.000000\n0.000000 0.000000 16.606623\nY In S\n12 4 24\ndirect\n0.253971 0.036131 0.776571 Y\n0.253971 0.963869 0.223429 Y\n0.746029 0.463869 0.276571 Y\n0.746029 0.536131 0.723429 Y\n0.263598 0.246784 0.610583 Y\n0.263598 0.753216 0.389417 Y\n0.736402 0.253216 0.110583 Y\n0.736402 0.746784 0.889417 Y\n0.747235 0.309396 0.856356 Y\n0.747235 0.690604 0.143644 Y\n0.252765 0.190604 0.356356 Y\n0.252765 0.809396 0.643644 Y\n0.753199 0.000000 0.500000 In\n0.246801 0.500000 0.000000 In\n0.391599 0.500000 0.500000 In\n0.608401 0.000000 0.000000 In\n0.768205 0.397045 0.593094 S\n0.768205 0.602955 0.406906 S\n0.231795 0.102955 0.093094 S\n0.231795 0.897045 0.906906 S\n0.246065 0.307362 0.980693 S\n0.246065 0.692638 0.019307 S\n0.753935 0.192638 0.480693 S\n0.753935 0.807362 0.519307 S\n0.751635 0.107704 0.884806 S\n0.751635 0.892296 0.115194 S\n0.248365 0.392296 0.384806 S\n0.248365 0.607704 0.615194 S\n0.759123 0.178915 0.717242 S\n0.759123 0.821085 0.282758 S\n0.240877 0.321085 0.217242 S\n0.240877 0.678915 0.782758 S\n0.248632 0.384541 0.756120 S\n0.248632 0.615459 0.243880 S\n0.751368 0.115459 0.256120 S\n0.751368 0.884541 0.743880 S\n0.253615 0.020669 0.605500 S\n0.253615 0.979331 0.394500 S\n0.746385 0.479331 0.105500 S\n0.746385 0.520669 0.894500 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Y",
"In",
"S"
],
"chemical_system": "In-S-Y",
"density": 4.40214788615213,
"density_atomic": 0.046191277293554885,
"volume": 865.9643626174685,
"volume_molar": 13.037398212065193,
"formula_full": "Y12 In4 S24",
"formula_reduced": "Y3InS6",
"formula_anonymous": "AB3C6",
"energy": -266.97762141,
"energy_per_atom": -6.67444053525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.90562141,
"band_gap": 1.0907,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021424,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.201000Z",
"spacegroup": 18
},
{
"id": "mp-1207785",
"created_at": "2022-09-04T14:45:04.947842Z",
"structure_string": "Y12 Ir4\n1.0\n6.431889 0.000000 0.000000\n0.000000 7.286326 0.000000\n0.000000 0.000000 9.272045\nY Ir\n12 4\ndirect\n0.631376 0.036183 0.250000 Y\n0.368624 0.963817 0.750000 Y\n0.131376 0.463817 0.750000 Y\n0.868624 0.536183 0.250000 Y\n0.172211 0.177117 0.063410 Y\n0.827789 0.822883 0.936590 Y\n0.672211 0.322883 0.936590 Y\n0.827789 0.822883 0.563410 Y\n0.327789 0.677117 0.063410 Y\n0.172211 0.177117 0.436590 Y\n0.327789 0.677117 0.436590 Y\n0.672211 0.322883 0.563410 Y\n0.456854 0.383314 0.250000 Ir\n0.543146 0.616686 0.750000 Ir\n0.956854 0.116686 0.750000 Ir\n0.043146 0.883314 0.250000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Ir"
],
"chemical_system": "Ir-Y",
"density": 7.0151534119589725,
"density_atomic": 0.03682114699310443,
"volume": 434.53290585967767,
"volume_molar": 16.355114524617548,
"formula_full": "Y12 Ir4",
"formula_reduced": "Y3Ir",
"formula_anonymous": "AB3",
"energy": -122.05250967,
"energy_per_atom": -7.628281854375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.05250967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002327,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.695000Z",
"spacegroup": 62
},
{
"id": "mp-1204272",
"created_at": "2022-09-04T14:40:17.519638Z",
"structure_string": "Y42 Ir28\n1.0\n-5.651246 5.651246 12.639462\n5.651246 -5.651246 12.639462\n5.651246 5.651246 -12.639462\nY Ir\n42 28\ndirect\n0.632191 0.503579 0.279310 Y\n0.224270 0.352882 0.720690 Y\n0.132191 0.852882 0.128612 Y\n0.724270 0.003579 0.871388 Y\n0.352882 0.632191 0.128612 Y\n0.503579 0.224270 0.871388 Y\n0.003579 0.132191 0.279310 Y\n0.852882 0.724270 0.720690 Y\n0.367809 0.496421 0.720690 Y\n0.775730 0.647118 0.279310 Y\n0.867809 0.147118 0.871388 Y\n0.275730 0.996421 0.128612 Y\n0.647118 0.367809 0.871388 Y\n0.496421 0.775730 0.128612 Y\n0.996421 0.867809 0.720690 Y\n0.147118 0.275730 0.279310 Y\n0.385745 0.517057 0.290639 Y\n0.226418 0.095105 0.709361 Y\n0.885745 0.595105 0.868688 Y\n0.726418 0.017057 0.131312 Y\n0.095105 0.385745 0.868688 Y\n0.517057 0.226418 0.131312 Y\n0.017057 0.885745 0.290639 Y\n0.595105 0.726418 0.709361 Y\n0.614255 0.482943 0.709361 Y\n0.773582 0.904895 0.290639 Y\n0.114255 0.404895 0.131312 Y\n0.273582 0.982943 0.868688 Y\n0.904895 0.614255 0.131312 Y\n0.482943 0.773582 0.868688 Y\n0.982943 0.114255 0.709361 Y\n0.404895 0.273582 0.290639 Y\n0.850741 0.350741 0.201481 Y\n0.149259 0.649259 0.798519 Y\n0.350741 0.149259 0.500000 Y\n0.649259 0.850741 0.500000 Y\n0.387473 0.887473 0.500000 Y\n0.887473 0.387473 0.500000 Y\n0.612527 0.112527 0.500000 Y\n0.112527 0.612527 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Y\n0.714342 0.214342 0.141179 Ir\n0.073162 0.573162 0.858821 Ir\n0.214342 0.073162 0.500000 Ir\n0.573162 0.714342 0.500000 Ir\n0.285658 0.785658 0.858821 Ir\n0.926838 0.426838 0.141179 Ir\n0.785658 0.926838 0.500000 Ir\n0.426838 0.285658 0.500000 Ir\n0.465362 0.965362 0.808098 Ir\n0.157264 0.657264 0.191902 Ir\n0.965362 0.157264 0.500000 Ir\n0.657264 0.465362 0.500000 Ir\n0.534638 0.034638 0.191902 Ir\n0.842736 0.342736 0.808098 Ir\n0.034638 0.842736 0.500000 Ir\n0.342736 0.534638 0.500000 Ir\n0.596541 0.096541 0.693083 Ir\n0.403459 0.903459 0.306917 Ir\n0.096541 0.403459 0.500000 Ir\n0.903459 0.596541 0.500000 Ir\n0.365629 0.365629 0.000000 Ir\n0.865629 0.865629 0.000000 Ir\n0.634371 0.634371 0.000000 Ir\n0.134371 0.134371 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.750000 0.750000 0.000000 Ir\n",
"nsites": 70,
"nelements": 2,
"elements": [
"Y",
"Ir"
],
"chemical_system": "Ir-Y",
"density": 9.375235951684328,
"density_atomic": 0.043353187578810654,
"volume": 1614.6448256601384,
"volume_molar": 13.890883453615736,
"formula_full": "Y42 Ir28",
"formula_reduced": "Y3Ir2",
"formula_anonymous": "A2B3",
"energy": -573.01968482,
"energy_per_atom": -8.185995497428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -573.01968482,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079445,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.809000Z",
"spacegroup": 140
},
{
"id": "mp-28748",
"created_at": "2022-09-04T14:48:02.519712Z",
"structure_string": "Y6 Ir2 I6\n1.0\n4.282713 0.000000 0.000000\n0.000000 8.912480 0.000000\n0.000000 0.771703 12.326348\nY Ir I\n6 2 6\ndirect\n0.750000 0.141476 0.129839 Y\n0.250000 0.858524 0.870161 Y\n0.750000 0.096521 0.684250 Y\n0.250000 0.903479 0.315750 Y\n0.250000 0.250170 0.900582 Y\n0.750000 0.749830 0.099418 Y\n0.750000 0.049235 0.907447 Ir\n0.250000 0.950765 0.092553 Ir\n0.250000 0.427440 0.132951 I\n0.750000 0.572560 0.867049 I\n0.250000 0.348761 0.638761 I\n0.750000 0.651239 0.361239 I\n0.750000 0.141187 0.394115 I\n0.250000 0.858813 0.605885 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Ir",
"I"
],
"chemical_system": "I-Ir-Y",
"density": 5.926855862746867,
"density_atomic": 0.02975610420993481,
"volume": 470.4916981479637,
"volume_molar": 20.23833737613192,
"formula_full": "Y6 Ir2 I6",
"formula_reduced": "Y3IrI3",
"formula_anonymous": "AB3C3",
"energy": -84.09804153,
"energy_per_atom": -6.007002966428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.82404153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003714,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.274000Z",
"spacegroup": 11
},
{
"id": "mp-1187801",
"created_at": "2022-09-04T14:45:18.701004Z",
"structure_string": "Y6 Lu2\n1.0\n3.623371 -6.275863 0.000000\n3.623371 6.275863 0.000000\n0.000000 0.000000 5.664037\nY Lu\n6 2\ndirect\n0.167802 0.335603 0.250000 Y\n0.664397 0.832198 0.250000 Y\n0.167802 0.832198 0.250000 Y\n0.832198 0.664397 0.750000 Y\n0.335603 0.167802 0.750000 Y\n0.832198 0.167802 0.750000 Y\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Lu"
],
"chemical_system": "Lu-Y",
"density": 5.694413040188175,
"density_atomic": 0.031056152528263437,
"volume": 257.59791051771134,
"volume_molar": 19.39113595774428,
"formula_full": "Y6 Lu2",
"formula_reduced": "Y3Lu",
"formula_anonymous": "AB3",
"energy": -47.80359612,
"energy_per_atom": -5.975449515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.80359612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1379117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.844000Z",
"spacegroup": 194
},
{
"id": "mp-1094397",
"created_at": "2022-09-04T14:41:06.838172Z",
"structure_string": "Y6 Mg2\n1.0\n3.518778 -6.094702 0.000000\n3.518778 6.094702 0.000000\n0.000000 0.000000 5.620891\nY Mg\n6 2\ndirect\n0.659991 0.829996 0.750000 Y\n0.170004 0.340009 0.750000 Y\n0.170004 0.829996 0.750000 Y\n0.829996 0.659991 0.250000 Y\n0.829996 0.170004 0.250000 Y\n0.340009 0.170004 0.250000 Y\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.0089093125246675,
"density_atomic": 0.03318260551622741,
"volume": 241.0901698508193,
"volume_molar": 18.148486733674275,
"formula_full": "Y6 Mg2",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy": -42.01363926,
"energy_per_atom": -5.2517049075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.01363926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.520000Z",
"spacegroup": 194
},
{
"id": "mp-1094769",
"created_at": "2022-09-04T14:46:37.155827Z",
"structure_string": "Y3 Mg1\n1.0\n4.945907 0.000000 0.000000\n0.000000 4.945907 0.000000\n0.000000 0.000000 4.945907\nY Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.9942744435773245,
"density_atomic": 0.03306146955499621,
"volume": 120.98675751076905,
"volume_molar": 18.21498209564596,
"formula_full": "Y3 Mg1",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy": -20.90135791,
"energy_per_atom": -5.2253394775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.90135791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7166856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.672000Z",
"spacegroup": 221
},
{
"id": "mp-1094968",
"created_at": "2022-09-04T14:48:30.222837Z",
"structure_string": "Y3 Mg1\n1.0\n3.563405 0.000000 0.000000\n0.000000 5.627149 0.000000\n0.000000 0.000000 6.081947\nY Mg\n3 1\ndirect\n0.000000 0.000000 0.001657 Y\n0.500000 0.000000 0.496245 Y\n0.500000 0.500000 0.839045 Y\n0.000000 0.500000 0.329718 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.962593365400241,
"density_atomic": 0.03279923844984385,
"volume": 121.95405104044552,
"volume_molar": 18.360611540444683,
"formula_full": "Y3 Mg1",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy": -20.84175256,
"energy_per_atom": -5.21043814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.84175256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1917308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.036000Z",
"spacegroup": 25
},
{
"id": "mp-1094496",
"created_at": "2022-09-04T14:43:11.693381Z",
"structure_string": "Y3 Mg1\n1.0\n-2.478188 2.478188 4.896287\n2.478188 -2.478188 4.896287\n2.478188 2.478188 -4.896287\nY Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.017726616270206,
"density_atomic": 0.03325558823773494,
"volume": 120.2805366546252,
"volume_molar": 18.108658060562313,
"formula_full": "Y3 Mg1",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy": -20.86158619,
"energy_per_atom": -5.2153965475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.86158619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6356458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.176000Z",
"spacegroup": 139
},
{
"id": "mp-1094443",
"created_at": "2022-09-04T14:40:23.993636Z",
"structure_string": "Y3 Mg1\n1.0\n0.000000 3.918549 3.918549\n3.918549 0.000000 3.918549\n3.918549 3.918549 0.000000\nY Mg\n3 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.015779867161368,
"density_atomic": 0.03323947457621713,
"volume": 120.33884563452166,
"volume_molar": 18.117436682675024,
"formula_full": "Y3 Mg1",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy": -20.75082612,
"energy_per_atom": -5.18770653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.75082612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4038471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.669000Z",
"spacegroup": 225
},
{
"id": "mp-1094777",
"created_at": "2022-09-04T14:45:54.125972Z",
"structure_string": "Y3 Mg1\n1.0\n1.768215 -3.062639 0.000000\n1.768215 3.062639 0.000000\n0.000000 0.000000 11.471279\nY Mg\n3 1\ndirect\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.248949 Y\n0.333333 0.666667 0.751051 Y\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.8895828081862187,
"density_atomic": 0.0321949143482774,
"volume": 124.24322539668509,
"volume_molar": 18.705254795381112,
"formula_full": "Y3 Mg1",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy": -20.81573121,
"energy_per_atom": -5.2039328025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.81573121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1465503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.194000Z",
"spacegroup": 187
}
]
}