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=-total_magnetization&page=68",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=66",
"results": [
{
"id": "mp-758077",
"created_at": "2022-09-04T14:42:41.550989Z",
"structure_string": "Li2 Fe16 O24\n1.0\n4.263969 4.273633 0.000000\n-4.263969 4.273633 0.000000\n0.000000 4.213662 12.728365\nLi Fe O\n2 16 24\ndirect\n0.957978 0.459383 0.583413 Li\n0.459383 0.957978 0.083413 Li\n0.000919 0.256584 0.001508 Fe\n0.292208 0.799019 0.919067 Fe\n0.785979 0.797315 0.921064 Fe\n0.583036 0.331443 0.832631 Fe\n0.117240 0.625490 0.747575 Fe\n0.117454 0.127500 0.747863 Fe\n0.660636 0.918199 0.664885 Fe\n0.459338 0.460943 0.581721 Fe\n0.256584 0.000919 0.501508 Fe\n0.797315 0.785979 0.421064 Fe\n0.799019 0.292208 0.419067 Fe\n0.331443 0.583036 0.332631 Fe\n0.127500 0.117454 0.247863 Fe\n0.625490 0.117240 0.247575 Fe\n0.918199 0.660636 0.164885 Fe\n0.460943 0.459338 0.081721 Fe\n0.535484 0.030177 0.913732 O\n0.528254 0.548122 0.921333 O\n0.054815 0.039977 0.911309 O\n0.050904 0.560645 0.909411 O\n0.351588 0.870950 0.757062 O\n0.890778 0.875956 0.749052 O\n0.892865 0.374361 0.751157 O\n0.359782 0.378273 0.743550 O\n0.214907 0.695664 0.588995 O\n0.215600 0.214813 0.590808 O\n0.694544 0.696587 0.584464 O\n0.700674 0.220769 0.577588 O\n0.030177 0.535484 0.413732 O\n0.548122 0.528254 0.421333 O\n0.560645 0.050904 0.409411 O\n0.039977 0.054815 0.411309 O\n0.870950 0.351588 0.257062 O\n0.875956 0.890778 0.249052 O\n0.378273 0.359782 0.243550 O\n0.374361 0.892865 0.251157 O\n0.695664 0.214907 0.088995 O\n0.214813 0.215600 0.090808 O\n0.220769 0.700674 0.077588 O\n0.696587 0.694544 0.084464 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.622658704689813,
"density_atomic": 0.09053894116820303,
"volume": 463.8887914756204,
"volume_molar": 6.651437141077319,
"formula_full": "Li2 Fe16 O24",
"formula_reduced": "Li(Fe2O3)4",
"formula_anonymous": "AB8C12",
"energy": -328.00599053,
"energy_per_atom": -7.809666441190477,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.42199053,
"band_gap": 1.0797000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 77.9996871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.630000Z",
"spacegroup": 9
},
{
"id": "mp-775491",
"created_at": "2022-09-04T14:48:14.817487Z",
"structure_string": "Li9 Mn15 Co6 O36\n1.0\n4.470268 2.607909 0.000000\n-4.470268 2.607909 0.000000\n0.000000 0.335742 29.149393\nLi Mn Co O\n9 15 6 36\ndirect\n0.842246 0.159206 0.751303 Li\n0.840794 0.157754 0.248697 Li\n0.510692 0.828923 0.417581 Li\n0.831184 0.503557 0.914398 Li\n0.171077 0.489308 0.582419 Li\n0.496443 0.168816 0.085602 Li\n0.486023 0.835382 0.166621 Li\n0.164618 0.513977 0.833379 Li\n0.819917 0.180083 0.500000 Li\n0.174750 0.825250 0.000000 Mn\n0.844456 0.486756 0.666709 Mn\n0.513244 0.155544 0.333291 Mn\n0.835645 0.164355 0.000000 Mn\n0.499944 0.831164 0.666750 Mn\n0.835188 0.508605 0.166449 Mn\n0.168836 0.500056 0.333250 Mn\n0.491395 0.164812 0.833551 Mn\n0.837325 0.842032 0.084924 Mn\n0.160973 0.839027 0.500000 Mn\n0.503310 0.517520 0.247984 Mn\n0.482480 0.496690 0.752016 Mn\n0.157968 0.162675 0.915076 Mn\n0.153781 0.168182 0.418556 Mn\n0.831818 0.846219 0.581444 Mn\n0.155943 0.178852 0.166413 Co\n0.821148 0.844057 0.833587 Co\n0.492513 0.507487 0.500000 Co\n0.501553 0.498447 0.000000 Co\n0.174494 0.155996 0.666668 Co\n0.844004 0.825506 0.333332 Co\n0.150924 0.129275 0.042293 O\n0.142330 0.459595 0.960430 O\n0.870725 0.849076 0.957707 O\n0.140515 0.472273 0.201996 O\n0.783164 0.796209 0.707452 O\n0.868552 0.163690 0.624525 O\n0.535437 0.547327 0.626038 O\n0.818141 0.156720 0.868045 O\n0.843280 0.181859 0.131955 O\n0.452673 0.464563 0.373962 O\n0.137865 0.859196 0.130239 O\n0.537965 0.833856 0.291302 O\n0.203791 0.216836 0.292548 O\n0.540405 0.857670 0.039570 O\n0.850401 0.518805 0.036023 O\n0.468312 0.798375 0.535828 O\n0.527727 0.859485 0.798004 O\n0.779427 0.500358 0.796556 O\n0.166144 0.462035 0.708698 O\n0.481195 0.149599 0.963977 O\n0.805902 0.801870 0.206580 O\n0.528940 0.173445 0.701770 O\n0.499642 0.220573 0.203444 O\n0.201625 0.531688 0.464172 O\n0.454467 0.170475 0.463269 O\n0.550523 0.518500 0.124908 O\n0.836310 0.131448 0.375475 O\n0.157249 0.801611 0.631509 O\n0.481500 0.449477 0.875092 O\n0.198389 0.842751 0.368491 O\n0.140804 0.862135 0.869761 O\n0.198130 0.194098 0.793420 O\n0.826555 0.471060 0.298230 O\n0.134666 0.130498 0.540208 O\n0.829525 0.545533 0.536731 O\n0.869502 0.865334 0.459792 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.4371843734169305,
"density_atomic": 0.09710876493249475,
"volume": 679.6502874470699,
"volume_molar": 6.201438937243509,
"formula_full": "Li9 Mn15 Co6 O36",
"formula_reduced": "Li3Mn5(CoO6)2",
"formula_anonymous": "A2B3C5D12",
"energy": -498.09256064,
"energy_per_atom": -7.546856979393939,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -438.51256064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 77.9951616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:00.778000Z",
"spacegroup": 5
},
{
"id": "mp-1194635",
"created_at": "2022-09-04T14:39:13.927476Z",
"structure_string": "Tb4 Fe34\n1.0\n0.000000 0.000000 -8.249664\n-4.241457 -7.342113 0.000000\n-4.241457 7.342113 0.000000\nTb Fe\n4 34\ndirect\n0.750000 0.000023 0.999977 Tb\n0.250000 0.999977 0.000023 Tb\n0.250000 0.666597 0.333403 Tb\n0.750000 0.333403 0.666597 Tb\n0.606768 0.666662 0.333338 Fe\n0.393232 0.333338 0.666662 Fe\n0.106768 0.333338 0.666662 Fe\n0.893232 0.666662 0.333338 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.750000 0.670112 0.038577 Fe\n0.750000 0.368502 0.329993 Fe\n0.750000 0.961420 0.631514 Fe\n0.750000 0.368486 0.038580 Fe\n0.750000 0.961423 0.329888 Fe\n0.750000 0.670006 0.631498 Fe\n0.250000 0.329888 0.961423 Fe\n0.250000 0.631498 0.670006 Fe\n0.250000 0.038580 0.368486 Fe\n0.250000 0.631514 0.961420 Fe\n0.250000 0.038577 0.670112 Fe\n0.250000 0.329993 0.368502 Fe\n0.485444 0.833789 0.667761 Fe\n0.485391 0.833880 0.166120 Fe\n0.485444 0.332239 0.166211 Fe\n0.514556 0.166211 0.332239 Fe\n0.514609 0.166120 0.833880 Fe\n0.514556 0.667761 0.833789 Fe\n0.985444 0.166211 0.332239 Fe\n0.985391 0.166120 0.833880 Fe\n0.985444 0.667761 0.833789 Fe\n0.014556 0.833789 0.667761 Fe\n0.014609 0.833880 0.166120 Fe\n0.014556 0.332239 0.166211 Fe\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tb",
"Fe"
],
"chemical_system": "Fe-Tb",
"density": 8.190817491353167,
"density_atomic": 0.07395732722530618,
"volume": 513.8098066231555,
"volume_molar": 8.142723629876375,
"formula_full": "Tb4 Fe34",
"formula_reduced": "Tb2Fe17",
"formula_anonymous": "A2B17",
"energy": -306.67608602,
"energy_per_atom": -8.07042331631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.67608602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 77.9912976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.335000Z",
"spacegroup": 194
},
{
"id": "mp-1216207",
"created_at": "2022-09-04T14:46:35.085950Z",
"structure_string": "Y1 Er3 Fe34\n1.0\n4.232298 -7.330555 0.000000\n4.232298 7.330555 0.000000\n0.000000 0.000000 8.246049\nY Er Fe\n1 3 34\ndirect\n0.333333 0.666667 0.500000 Y\n0.000000 0.000000 0.000000 Er\n0.666667 0.333333 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.143131 Fe\n0.000000 0.000000 0.356185 Fe\n0.000000 0.000000 0.643815 Fe\n0.333333 0.666667 0.856869 Fe\n0.997838 0.498919 0.264566 Fe\n0.501081 0.498919 0.264566 Fe\n0.501081 0.002162 0.264566 Fe\n0.334824 0.167412 0.234956 Fe\n0.832588 0.167412 0.234956 Fe\n0.832588 0.665176 0.234956 Fe\n0.334824 0.167412 0.765044 Fe\n0.832588 0.167412 0.765044 Fe\n0.832588 0.665176 0.765044 Fe\n0.997838 0.498919 0.735434 Fe\n0.501081 0.498919 0.735434 Fe\n0.501081 0.002162 0.735434 Fe\n0.667278 0.833639 0.249579 Fe\n0.166361 0.833639 0.249579 Fe\n0.166361 0.332722 0.249579 Fe\n0.667278 0.833639 0.750421 Fe\n0.166361 0.833639 0.750421 Fe\n0.166361 0.332722 0.750421 Fe\n0.629248 0.662525 0.000000 Fe\n0.337475 0.966723 0.000000 Fe\n0.033277 0.370752 0.000000 Fe\n0.629248 0.966723 0.000000 Fe\n0.337475 0.370752 0.000000 Fe\n0.033277 0.662525 0.000000 Fe\n0.705491 0.004414 0.500000 Fe\n0.995586 0.701078 0.500000 Fe\n0.298922 0.294509 0.500000 Fe\n0.705491 0.701078 0.500000 Fe\n0.995586 0.294509 0.500000 Fe\n0.298922 0.004414 0.500000 Fe\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Er",
"Fe"
],
"chemical_system": "Er-Fe-Y",
"density": 8.07898909485496,
"density_atomic": 0.07426677992331916,
"volume": 511.66887859195185,
"volume_molar": 8.108794761558118,
"formula_full": "Y1 Er3 Fe34",
"formula_reduced": "YEr3Fe34",
"formula_anonymous": "AB3C34",
"energy": -308.74317428,
"energy_per_atom": -8.124820375789474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.74317428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 77.9728269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.583000Z",
"spacegroup": 187
},
{
"id": "mp-698682",
"created_at": "2022-09-04T14:41:57.307025Z",
"structure_string": "Sr16 Fe16 O41\n1.0\n5.619937 0.000000 0.000000\n2.792540 4.877250 0.000000\n2.537158 1.458950 36.658142\nSr Fe O\n16 16 41\ndirect\n0.375880 0.375149 0.871595 Sr\n0.000000 0.000000 0.000000 Sr\n0.686649 0.689966 0.936816 Sr\n0.624120 0.624851 0.128405 Sr\n0.313351 0.310034 0.063184 Sr\n0.244721 0.256086 0.246928 Sr\n0.931429 0.942861 0.190575 Sr\n0.877894 0.873946 0.374174 Sr\n0.562377 0.563493 0.309047 Sr\n0.500000 0.500000 0.500000 Sr\n0.122106 0.126054 0.625826 Sr\n0.187693 0.187840 0.436861 Sr\n0.812307 0.812160 0.563139 Sr\n0.755279 0.743914 0.753072 Sr\n0.437623 0.436507 0.690953 Sr\n0.068571 0.057139 0.809425 Sr\n0.700163 0.753752 0.840820 Fe\n0.330866 0.371936 0.965844 Fe\n0.043400 0.005293 0.908239 Fe\n0.669134 0.628064 0.034156 Fe\n0.956600 0.994707 0.091761 Fe\n0.299837 0.246248 0.159180 Fe\n0.599053 0.588412 0.218764 Fe\n0.941055 0.887755 0.278359 Fe\n0.192000 0.231213 0.345695 Fe\n0.557681 0.519402 0.403242 Fe\n0.816342 0.856374 0.471089 Fe\n0.183658 0.143626 0.528911 Fe\n0.442319 0.480598 0.596758 Fe\n0.058945 0.112245 0.721641 Fe\n0.808000 0.768787 0.654305 Fe\n0.400947 0.411588 0.781236 Fe\n0.688081 0.185205 0.937758 O\n0.874056 0.878053 0.874565 O\n0.185595 0.185788 0.938522 O\n0.185467 0.690092 0.937625 O\n0.311919 0.814795 0.062242 O\n0.371309 0.888642 0.875762 O\n0.500000 0.500000 0.000000 O\n0.814405 0.814212 0.061478 O\n0.814533 0.309908 0.062375 O\n0.000000 0.500000 0.000000 O\n0.940371 0.455199 0.186128 O\n0.125944 0.121947 0.125435 O\n0.422634 0.467682 0.181187 O\n0.450747 0.938523 0.190277 O\n0.628691 0.111358 0.124238 O\n0.732173 0.247327 0.251562 O\n0.719345 0.765240 0.256492 O\n0.065352 0.061290 0.312198 O\n0.076242 0.558907 0.313378 O\n0.248500 0.736911 0.247391 O\n0.372743 0.876171 0.375261 O\n0.373224 0.372427 0.376094 O\n0.686299 0.687672 0.437483 O\n0.687494 0.188206 0.437666 O\n0.877923 0.372628 0.375276 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.313701 0.312328 0.562517 O\n0.627257 0.123829 0.624739 O\n0.500000 0.000000 0.500000 O\n0.312506 0.811794 0.562334 O\n0.626776 0.627573 0.623906 O\n0.934648 0.938710 0.687802 O\n0.122077 0.627372 0.624724 O\n0.267827 0.752673 0.748438 O\n0.059629 0.544801 0.813872 O\n0.923758 0.441093 0.686622 O\n0.280655 0.234760 0.743508 O\n0.577366 0.532318 0.818813 O\n0.751500 0.263089 0.752609 O\n0.549253 0.061477 0.809723 O\n",
"nsites": 73,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 4.877558903155471,
"density_atomic": 0.07265172768226834,
"volume": 1004.7937238224366,
"volume_molar": 8.2890537529086,
"formula_full": "Sr16 Fe16 O41",
"formula_reduced": "Sr16Fe16O41",
"formula_anonymous": "A16B16C41",
"energy": -529.34218366,
"energy_per_atom": -7.251262789863015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -465.07918366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 77.7443375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.248000Z",
"spacegroup": 2
},
{
"id": "mp-626305",
"created_at": "2022-09-04T14:42:24.221628Z",
"structure_string": "Fe16 H16 O32\n1.0\n11.216604 0.087750 -0.799436\n0.047689 5.738086 -0.004559\n-0.110764 -0.004611 11.816293\nFe H O\n16 16 32\ndirect\n0.341733 0.023898 0.093444 Fe\n0.150717 0.997683 0.650168 Fe\n0.849795 0.200165 0.569113 Fe\n0.674603 0.255313 0.127493 Fe\n0.667431 0.036742 0.859359 Fe\n0.867909 0.979608 0.303940 Fe\n0.172027 0.213211 0.388221 Fe\n0.375818 0.224387 0.813192 Fe\n0.346249 0.517686 0.103277 Fe\n0.153890 0.471561 0.654023 Fe\n0.857526 0.740031 0.575581 Fe\n0.721166 0.762892 0.122251 Fe\n0.663310 0.513880 0.860063 Fe\n0.889345 0.501351 0.309664 Fe\n0.174268 0.706544 0.391531 Fe\n0.345680 0.764612 0.813642 Fe\n0.020694 0.971240 0.459332 H\n0.371150 0.962260 0.607312 H\n0.754557 0.438938 0.693956 H\n0.929257 0.220410 0.128057 H\n0.714592 0.895509 0.685978 H\n0.624871 0.989434 0.303288 H\n0.488893 0.280109 0.017033 H\n0.232425 0.329077 0.221441 H\n0.368763 0.473427 0.622443 H\n0.229007 0.468369 0.916340 H\n0.522219 0.792894 0.939109 H\n0.005764 0.471633 0.510135 H\n0.653371 0.454692 0.319597 H\n0.197742 0.771538 0.188800 H\n0.518947 0.702772 0.202736 H\n0.116069 0.838259 0.840163 H\n0.265068 0.956874 0.359692 O\n0.048476 0.969385 0.380219 O\n0.339799 0.991587 0.680773 O\n0.345378 0.002055 0.933056 O\n0.763313 0.272607 0.829172 O\n0.545661 0.269744 0.841043 O\n0.875661 0.232958 0.189721 O\n0.839674 0.225340 0.404899 O\n0.732533 0.959422 0.611294 O\n0.980499 0.976465 0.601982 O\n0.674066 0.001642 0.239090 O\n0.682270 0.022389 0.016452 O\n0.236379 0.283730 0.140237 O\n0.474082 0.281611 0.098549 O\n0.146507 0.239621 0.756986 O\n0.173142 0.227953 0.542470 O\n0.271274 0.456386 0.360577 O\n0.055360 0.471962 0.368537 O\n0.334803 0.484240 0.696113 O\n0.315581 0.491790 0.926290 O\n0.752720 0.768435 0.834152 O\n0.534965 0.765647 0.858431 O\n0.882141 0.750914 0.190636 O\n0.836832 0.753183 0.411074 O\n0.752163 0.473463 0.611489 O\n0.981959 0.476255 0.590327 O\n0.669325 0.497991 0.242475 O\n0.682311 0.497934 0.026448 O\n0.228937 0.758398 0.113217 O\n0.456401 0.755349 0.144677 O\n0.157780 0.772053 0.777511 O\n0.176772 0.729165 0.558560 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 3.106303165928749,
"density_atomic": 0.08421487261778401,
"volume": 759.960776648908,
"volume_molar": 7.150923076654133,
"formula_full": "Fe16 H16 O32",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy": -429.50479832,
"energy_per_atom": -6.71101247375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.42479832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 77.463359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.407000Z",
"spacegroup": 1
},
{
"id": "mp-1193786",
"created_at": "2022-09-04T14:41:24.552579Z",
"structure_string": "Eu11 Zn6 Sb12\n1.0\n2.398565 15.778739 0.000000\n-2.398565 15.778739 0.000000\n0.000000 4.094759 11.438827\nEu Zn Sb\n11 6 12\ndirect\n0.018302 0.018302 0.323364 Eu\n0.981698 0.981698 0.676636 Eu\n0.114452 0.114452 0.489642 Eu\n0.885548 0.885548 0.510358 Eu\n0.126269 0.126269 0.980447 Eu\n0.873731 0.873731 0.019553 Eu\n0.200484 0.200484 0.653440 Eu\n0.799516 0.799516 0.346560 Eu\n0.280979 0.280979 0.860676 Eu\n0.719021 0.719021 0.139324 Eu\n0.000000 0.000000 0.000000 Eu\n0.217479 0.217479 0.328140 Zn\n0.782521 0.782521 0.671860 Zn\n0.401345 0.401345 0.743240 Zn\n0.598655 0.598655 0.256760 Zn\n0.545008 0.545008 0.755675 Zn\n0.454992 0.454992 0.244325 Zn\n0.087093 0.087093 0.765080 Sb\n0.912907 0.912907 0.234920 Sb\n0.146920 0.146920 0.216261 Sb\n0.853080 0.853080 0.783739 Sb\n0.307802 0.307802 0.540018 Sb\n0.692198 0.692198 0.459982 Sb\n0.453275 0.453275 0.883222 Sb\n0.546725 0.546725 0.116778 Sb\n0.454435 0.454435 0.502337 Sb\n0.545565 0.545565 0.497663 Sb\n0.705306 0.705306 0.859965 Sb\n0.294694 0.294694 0.140035 Sb\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Sb"
],
"chemical_system": "Eu-Sb-Zn",
"density": 6.760749994923285,
"density_atomic": 0.03349366913311471,
"volume": 865.8352682933778,
"volume_molar": 17.979937450465815,
"formula_full": "Eu11 Zn6 Sb12",
"formula_reduced": "Eu11(ZnSb2)6",
"formula_anonymous": "A6B11C12",
"energy": -193.98170669,
"energy_per_atom": -6.68902436862069,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.67770669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 77.0656823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.693000Z",
"spacegroup": 12
},
{
"id": "mp-685820",
"created_at": "2022-09-04T14:44:51.729304Z",
"structure_string": "Sc10 Mn17 S32\n1.0\n7.347577 0.000000 0.000000\n3.561390 6.480581 0.000000\n3.210337 1.842602 23.807527\nSc Mn S\n10 17 32\ndirect\n0.120273 0.628935 0.122610 Sc\n0.632164 0.132279 0.124606 Sc\n0.514318 0.491975 0.003771 Sc\n0.264357 0.716218 0.256112 Sc\n0.514039 0.964307 0.503485 Sc\n0.882750 0.367624 0.375724 Sc\n0.132109 0.617223 0.624326 Sc\n0.760297 0.214222 0.751090 Sc\n0.884912 0.376444 0.875172 Sc\n0.378304 0.877996 0.873454 Sc\n0.425034 0.033984 0.007841 Mn\n0.621271 0.614482 0.120796 Mn\n0.695051 0.265087 0.258497 Mn\n0.375960 0.879700 0.374305 Mn\n0.752663 0.750015 0.255839 Mn\n0.951959 0.510331 0.506320 Mn\n0.870223 0.867036 0.372134 Mn\n0.627013 0.129636 0.623403 Mn\n0.118156 0.139559 0.207460 Mn\n0.002943 0.000419 0.504580 Mn\n0.121275 0.117323 0.620921 Mn\n0.364209 0.393718 0.457226 Mn\n0.252690 0.252348 0.753716 Mn\n0.374340 0.358703 0.873657 Mn\n0.196809 0.765201 0.754226 Mn\n0.615610 0.643602 0.706959 Mn\n0.883514 0.840963 0.963745 Mn\n0.318442 0.314989 0.065524 S\n0.426683 0.429052 0.189992 S\n0.324131 0.796979 0.065305 S\n0.800042 0.322928 0.068202 S\n0.469492 0.898270 0.189018 S\n0.562609 0.553731 0.317978 S\n0.894866 0.485702 0.186821 S\n0.684990 0.675565 0.438016 S\n0.579194 0.033331 0.315024 S\n0.800681 0.824597 0.063798 S\n0.950834 0.936238 0.189880 S\n0.044721 0.570516 0.314774 S\n0.717738 0.152540 0.438565 S\n0.813328 0.803381 0.565567 S\n0.154144 0.741550 0.434438 S\n0.934094 0.925684 0.685785 S\n0.830475 0.283215 0.564068 S\n0.064759 0.064066 0.308826 S\n0.195836 0.193341 0.439217 S\n0.294167 0.822602 0.563718 S\n0.061343 0.057221 0.813575 S\n0.968168 0.402027 0.686757 S\n0.403307 0.990321 0.683489 S\n0.191635 0.179076 0.934336 S\n0.081072 0.538699 0.812112 S\n0.315733 0.312742 0.557984 S\n0.547834 0.069615 0.810614 S\n0.446198 0.445058 0.687498 S\n0.231428 0.659357 0.931809 S\n0.675405 0.200090 0.935482 S\n0.575425 0.553447 0.807859 S\n0.683982 0.689740 0.936995 S\n",
"nsites": 59,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"S"
],
"chemical_system": "Mn-S-Sc",
"density": 3.5295483313716427,
"density_atomic": 0.052045074782932105,
"volume": 1133.6327259798409,
"volume_molar": 11.5710099084629,
"formula_full": "Sc10 Mn17 S32",
"formula_reduced": "Sc10Mn17S32",
"formula_anonymous": "A10B17C32",
"energy": -428.39535033,
"energy_per_atom": -7.260938141186441,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -412.29935033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.9998187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.685000Z",
"spacegroup": 1
},
{
"id": "mp-758834",
"created_at": "2022-09-04T14:48:07.063524Z",
"structure_string": "Mn3 Ni34 O40\n1.0\n0.000000 -4.216123 -4.216123\n0.000000 4.216123 -4.216123\n21.060098 0.000000 4.216123\nMn Ni O\n3 34 40\ndirect\n0.599665 0.599665 0.199329 Mn\n0.200000 0.200000 0.400000 Mn\n0.800335 0.800335 0.600671 Mn\n0.500177 0.000177 0.000354 Ni\n0.999324 0.999324 0.998648 Ni\n0.000177 0.500177 0.000354 Ni\n0.499936 0.499936 0.999871 Ni\n0.807183 0.807183 0.101066 Ni\n0.293884 0.807183 0.101066 Ni\n0.807183 0.293884 0.101066 Ni\n0.293884 0.293884 0.101066 Ni\n0.100207 0.600207 0.200414 Ni\n0.600207 0.100207 0.200414 Ni\n0.399769 0.399769 0.299933 Ni\n0.900165 0.399769 0.299933 Ni\n0.900165 0.900165 0.299933 Ni\n0.399769 0.900165 0.299933 Ni\n0.700000 0.200000 0.400000 Ni\n0.200000 0.700000 0.400000 Ni\n0.499835 0.499835 0.500067 Ni\n0.000231 0.000231 0.500067 Ni\n0.000231 0.499835 0.500067 Ni\n0.499835 0.000231 0.500067 Ni\n0.299793 0.799793 0.599586 Ni\n0.799793 0.299793 0.599586 Ni\n0.592817 0.106116 0.698934 Ni\n0.592817 0.592817 0.698934 Ni\n0.106116 0.106116 0.698934 Ni\n0.106116 0.592817 0.698934 Ni\n0.399823 0.899823 0.799646 Ni\n0.900064 0.900064 0.800129 Ni\n0.400676 0.400676 0.801352 Ni\n0.899823 0.399823 0.799646 Ni\n0.700000 0.200000 0.900000 Ni\n0.700000 0.700000 0.900000 Ni\n0.200000 0.200000 0.900000 Ni\n0.200000 0.700000 0.900000 Ni\n0.747555 0.252708 0.000263 O\n0.252708 0.252708 0.000263 O\n0.252708 0.747555 0.000263 O\n0.747555 0.747555 0.000263 O\n0.046841 0.046841 0.093683 O\n0.550449 0.050449 0.100898 O\n0.050449 0.550449 0.100898 O\n0.552620 0.552620 0.105239 O\n0.370953 0.829615 0.200568 O\n0.829615 0.829615 0.200568 O\n0.829615 0.370953 0.200568 O\n0.370953 0.370953 0.200568 O\n0.645203 0.645203 0.290406 O\n0.150205 0.650205 0.300410 O\n0.650205 0.150205 0.300410 O\n0.154160 0.154160 0.308321 O\n0.970451 0.429549 0.400000 O\n0.429549 0.429549 0.400000 O\n0.429549 0.970451 0.400000 O\n0.970451 0.970451 0.400000 O\n0.245840 0.245840 0.491679 O\n0.749795 0.249795 0.499590 O\n0.249795 0.749795 0.499590 O\n0.754797 0.754797 0.509594 O\n0.570385 0.029047 0.599432 O\n0.029047 0.029047 0.599432 O\n0.570385 0.570385 0.599432 O\n0.029047 0.570385 0.599432 O\n0.847380 0.847380 0.694761 O\n0.349551 0.849551 0.699102 O\n0.849551 0.349551 0.699102 O\n0.353159 0.353159 0.706317 O\n0.147292 0.652445 0.799737 O\n0.652445 0.147292 0.799737 O\n0.147292 0.147292 0.799737 O\n0.652445 0.652445 0.799737 O\n0.450080 0.450080 0.900161 O\n0.950000 0.450000 0.900000 O\n0.450000 0.950000 0.900000 O\n0.949920 0.949920 0.899839 O\n",
"nsites": 77,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 6.21079113296987,
"density_atomic": 0.10284277744137228,
"volume": 748.715679561411,
"volume_molar": 5.855676898101133,
"formula_full": "Mn3 Ni34 O40",
"formula_reduced": "Mn3(Ni17O20)2",
"formula_anonymous": "A3B34C40",
"energy": -519.29866849,
"energy_per_atom": -6.744138551818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -400.42066849,
"band_gap": 1.1391999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.9958138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.616000Z",
"spacegroup": 139
},
{
"id": "mp-1194247",
"created_at": "2022-09-04T14:44:51.490453Z",
"structure_string": "Eu11 Zn6 As12\n1.0\n2.154831 15.059994 0.000000\n-2.154831 15.059994 0.000000\n0.000000 3.943100 10.984747\nEu Zn As\n11 6 12\ndirect\n0.016711 0.016711 0.322425 Eu\n0.983289 0.983289 0.677575 Eu\n0.112693 0.112693 0.487793 Eu\n0.887307 0.887307 0.512207 Eu\n0.126254 0.126254 0.979246 Eu\n0.873746 0.873746 0.020754 Eu\n0.198855 0.198855 0.652257 Eu\n0.801145 0.801145 0.347743 Eu\n0.282107 0.282107 0.863741 Eu\n0.717893 0.717893 0.136259 Eu\n0.000000 0.000000 0.000000 Eu\n0.218987 0.218987 0.330625 Zn\n0.781013 0.781013 0.669375 Zn\n0.400897 0.400897 0.751442 Zn\n0.599103 0.599103 0.248558 Zn\n0.547520 0.547520 0.764201 Zn\n0.452480 0.452480 0.235799 Zn\n0.086365 0.086365 0.762251 As\n0.913635 0.913635 0.237749 As\n0.144841 0.144841 0.216790 As\n0.855159 0.855159 0.783210 As\n0.306888 0.306888 0.546443 As\n0.693112 0.693112 0.453557 As\n0.455064 0.455064 0.879110 As\n0.544936 0.544936 0.120890 As\n0.457567 0.457567 0.509805 As\n0.542433 0.542433 0.490195 As\n0.707601 0.707601 0.854220 As\n0.292399 0.292399 0.145780 As\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"As"
],
"chemical_system": "As-Eu-Zn",
"density": 6.901442260127949,
"density_atomic": 0.040676158398463225,
"volume": 712.9483496429605,
"volume_molar": 14.805087297102082,
"formula_full": "Eu11 Zn6 As12",
"formula_reduced": "Eu11(ZnAs2)6",
"formula_anonymous": "A6B11C12",
"energy": -202.2995967,
"energy_per_atom": -6.975848162068965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.2995967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.9928919,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.506000Z",
"spacegroup": 12
},
{
"id": "mp-1220953",
"created_at": "2022-09-04T14:46:27.040368Z",
"structure_string": "Nd3 Er1 Fe34\n1.0\n4.242032 2.457331 4.131462\n-4.242032 2.457331 4.131462\n0.000000 -9.801708 8.246497\nNd Er Fe\n3 1 34\ndirect\n0.657486 0.657486 0.830455 Nd\n0.342349 0.342349 0.172998 Nd\n0.341540 0.341540 0.670979 Nd\n0.657379 0.657379 0.329294 Er\n0.902531 0.902531 0.449982 Fe\n0.906032 0.906032 0.951170 Fe\n0.097906 0.097906 0.046540 Fe\n0.096587 0.096587 0.546873 Fe\n0.998912 0.998912 0.248601 Fe\n0.000132 0.000132 0.750335 Fe\n0.998056 0.501200 0.002008 Fe\n0.999668 0.501434 0.498184 Fe\n0.501434 0.999668 0.498184 Fe\n0.501200 0.998056 0.002008 Fe\n0.285654 0.711265 0.004404 Fe\n0.292461 0.708968 0.498285 Fe\n0.721479 0.989519 0.143013 Fe\n0.710207 0.000583 0.644501 Fe\n0.998170 0.288848 0.355188 Fe\n0.998041 0.290494 0.855629 Fe\n0.288848 0.998170 0.355188 Fe\n0.290494 0.998041 0.855629 Fe\n0.989519 0.721479 0.143013 Fe\n0.000583 0.710207 0.644501 Fe\n0.711265 0.285654 0.004404 Fe\n0.708968 0.292461 0.498285 Fe\n0.847711 0.342690 0.171871 Fe\n0.845642 0.341913 0.670636 Fe\n0.345269 0.345269 0.420696 Fe\n0.341165 0.341165 0.924723 Fe\n0.342690 0.847711 0.171871 Fe\n0.341913 0.845642 0.670636 Fe\n0.151879 0.659521 0.326562 Fe\n0.153647 0.656370 0.830973 Fe\n0.659878 0.659878 0.079698 Fe\n0.657414 0.657414 0.575145 Fe\n0.659521 0.151879 0.326562 Fe\n0.656370 0.153647 0.830973 Fe\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Nd",
"Er",
"Fe"
],
"chemical_system": "Er-Fe-Nd",
"density": 8.049072850749578,
"density_atomic": 0.07371631774874135,
"volume": 515.4896657958586,
"volume_molar": 8.169345599336891,
"formula_full": "Nd3 Er1 Fe34",
"formula_reduced": "Nd3ErFe34",
"formula_anonymous": "AB3C34",
"energy": -305.46812254,
"energy_per_atom": -8.03863480368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.46812254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.977423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.787000Z",
"spacegroup": 8
},
{
"id": "mp-1219400",
"created_at": "2022-09-04T14:39:29.770293Z",
"structure_string": "Sm4 Fe31 Co3\n1.0\n4.256620 2.463824 4.168237\n-4.239188 2.438926 4.165136\n-0.025678 -9.806933 8.334176\nSm Fe Co\n4 31 3\ndirect\n0.658150 0.656544 0.329248 Sm\n0.659662 0.657889 0.828899 Sm\n0.340699 0.341378 0.170986 Sm\n0.341249 0.342113 0.670492 Sm\n0.291352 0.708446 0.000549 Fe\n0.294639 0.705778 0.500192 Fe\n0.709370 0.999682 0.145331 Fe\n0.708598 0.999856 0.645078 Fe\n0.999238 0.293060 0.353626 Fe\n0.999878 0.294723 0.853054 Fe\n0.289702 0.000415 0.354610 Fe\n0.291605 0.001164 0.854060 Fe\n0.000170 0.706459 0.147377 Fe\n0.000137 0.705864 0.647089 Fe\n0.707239 0.293323 0.499598 Fe\n0.708924 0.290495 0.999602 Fe\n0.998381 0.000214 0.250336 Fe\n0.999162 0.000915 0.750085 Fe\n0.999450 0.499892 0.000410 Fe\n0.000286 0.499565 0.500186 Fe\n0.500549 0.000194 0.499270 Fe\n0.500869 0.999743 0.999636 Fe\n0.904151 0.903247 0.452085 Fe\n0.904198 0.903606 0.951863 Fe\n0.096821 0.096056 0.048061 Fe\n0.096601 0.095563 0.548274 Fe\n0.341946 0.343087 0.922513 Fe\n0.342453 0.845535 0.171403 Fe\n0.341785 0.845578 0.671287 Fe\n0.158527 0.657446 0.329296 Fe\n0.156489 0.658444 0.829229 Fe\n0.657586 0.656249 0.079149 Fe\n0.658611 0.657375 0.579046 Fe\n0.656446 0.160229 0.328330 Fe\n0.657527 0.158339 0.827903 Fe\n0.844041 0.340773 0.170055 Co\n0.844306 0.340122 0.669653 Co\n0.339203 0.340640 0.422141 Co\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Sm",
"density": 8.002321378228759,
"density_atomic": 0.07297508490335781,
"volume": 520.7256702794394,
"volume_molar": 8.252324430968772,
"formula_full": "Sm4 Fe31 Co3",
"formula_reduced": "Sm4Fe31Co3",
"formula_anonymous": "A3B4C31",
"energy": -302.68841588,
"energy_per_atom": -7.965484628421052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -302.68841588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.8133515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.627000Z",
"spacegroup": 1
}
]
}