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=-is_magnetic&page=106",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=104",
"results": [
{
"id": "mp-850049",
"created_at": "2022-09-04T14:43:19.284841Z",
"structure_string": "Co4 S8\n1.0\n0.000613 5.444377 0.000000\n0.000000 0.000000 5.568484\n5.539477 0.000613 0.000000\nCo S\n4 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.386853 0.388045 0.388735 S\n0.386853 0.111955 0.888735 S\n0.886893 0.112176 0.611543 S\n0.113107 0.612176 0.888457 S\n0.613147 0.888045 0.111265 S\n0.113107 0.887824 0.388457 S\n0.886893 0.387824 0.111543 S\n0.613147 0.611955 0.611265 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 4.867246596507061,
"density_atomic": 0.07145412759987044,
"volume": 167.9399133832789,
"volume_molar": 8.42798164680261,
"formula_full": "Co4 S8",
"formula_reduced": "CoS2",
"formula_anonymous": "AB2",
"energy": -69.81328943,
"energy_per_atom": -5.817774119166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.78928943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0121774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.921000Z",
"spacegroup": 61
},
{
"id": "mp-1190850",
"created_at": "2022-09-04T14:43:19.285837Z",
"structure_string": "Na1 Rh1 N8 O12\n1.0\n0.000000 5.383454 5.383454\n5.383454 0.000000 5.383454\n5.383454 5.383454 0.000000\nNa Rh N O\n1 1 8 12\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Rh\n0.801628 0.801628 0.198372 N\n0.801628 0.198372 0.198372 N\n0.198372 0.801628 0.198372 N\n0.198372 0.198372 0.801628 N\n0.198372 0.801628 0.801628 N\n0.801628 0.198372 0.801628 N\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.647354 0.850246 0.352646 O\n0.850246 0.149754 0.352646 O\n0.149754 0.647354 0.352646 O\n0.352646 0.149754 0.647354 O\n0.149754 0.850246 0.647354 O\n0.850246 0.352646 0.647354 O\n0.149754 0.352646 0.850246 O\n0.647354 0.352646 0.149754 O\n0.850246 0.647354 0.149754 O\n0.352646 0.647354 0.850246 O\n0.352646 0.850246 0.149754 O\n0.647354 0.149754 0.850246 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Rh",
"N",
"O"
],
"chemical_system": "N-Na-O-Rh",
"density": 2.2879452129149187,
"density_atomic": 0.07050333579573637,
"volume": 312.0419729321578,
"volume_molar": 8.541639472843473,
"formula_full": "Na1 Rh1 N8 O12",
"formula_reduced": "NaRh(N2O3)4",
"formula_anonymous": "ABC8D12",
"energy": -139.76019981,
"energy_per_atom": -6.352736354999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.51619981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9990152,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.210000Z",
"spacegroup": 202
},
{
"id": "mp-1176327",
"created_at": "2022-09-04T14:43:16.532231Z",
"structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n6.661156 0.000000 0.000000\n0.000000 8.853309 0.000000\n0.000000 0.272897 10.405106\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.750000 0.914485 0.610407 Na\n0.992967 0.743253 0.881205 Na\n0.507033 0.743253 0.881205 Na\n0.987809 0.728899 0.365634 Na\n0.512191 0.728899 0.365634 Na\n0.487809 0.271101 0.634366 Na\n0.012191 0.271101 0.634366 Na\n0.492967 0.256747 0.118795 Na\n0.007033 0.256747 0.118795 Na\n0.250000 0.085515 0.389593 Na\n0.250000 0.653947 0.609767 Ni\n0.250000 0.651993 0.110606 Ni\n0.750000 0.348007 0.889394 Ni\n0.750000 0.346053 0.390233 Ni\n0.750000 0.582344 0.641469 P\n0.750000 0.580224 0.140959 P\n0.250000 0.419776 0.859041 P\n0.250000 0.417656 0.358531 P\n0.250000 0.936668 0.641608 C\n0.250000 0.934059 0.144337 C\n0.750000 0.065941 0.855663 C\n0.750000 0.063332 0.358392 C\n0.750000 0.923854 0.838393 O\n0.750000 0.920120 0.348505 O\n0.250000 0.875636 0.527791 O\n0.250000 0.873574 0.032887 O\n0.250000 0.841304 0.738992 O\n0.250000 0.838832 0.242939 O\n0.935656 0.681465 0.605129 O\n0.564344 0.681465 0.605129 O\n0.937786 0.675633 0.104529 O\n0.562214 0.675633 0.104529 O\n0.250000 0.572558 0.928567 O\n0.250000 0.569571 0.428612 O\n0.750000 0.548184 0.790142 O\n0.750000 0.546938 0.289812 O\n0.250000 0.453062 0.710188 O\n0.250000 0.451816 0.209858 O\n0.750000 0.430429 0.571388 O\n0.750000 0.427442 0.071433 O\n0.437786 0.324367 0.895471 O\n0.062214 0.324367 0.895471 O\n0.435656 0.318535 0.394871 O\n0.064344 0.318535 0.394871 O\n0.750000 0.161168 0.757061 O\n0.750000 0.158696 0.261008 O\n0.750000 0.126426 0.967113 O\n0.750000 0.124364 0.472209 O\n0.250000 0.079880 0.651495 O\n0.250000 0.076146 0.161607 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 2.9350391243572282,
"density_atomic": 0.08148323607032498,
"volume": 613.6231501268182,
"volume_molar": 7.390649967316623,
"formula_full": "Na10 Ni4 P4 C4 O28",
"formula_reduced": "Na5Ni2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -341.37595451,
"energy_per_atom": -6.8275190902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.97595451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.100000Z",
"spacegroup": 11
},
{
"id": "mp-1191288",
"created_at": "2022-09-04T14:43:19.292229Z",
"structure_string": "Eu4 Ta4 O14\n1.0\n1.992395 -13.678173 0.000000\n1.992395 13.678173 0.000000\n0.000000 0.000000 5.711171\nEu Ta O\n4 4 14\ndirect\n0.714840 0.285160 0.750000 Eu\n0.285160 0.714840 0.250000 Eu\n0.554218 0.445782 0.250000 Eu\n0.445782 0.554218 0.750000 Eu\n0.159354 0.840646 0.250000 Ta\n0.840646 0.159354 0.750000 Ta\n0.054330 0.945670 0.750000 Ta\n0.945670 0.054330 0.250000 Ta\n0.207976 0.792024 0.490526 O\n0.792024 0.207976 0.509474 O\n0.207976 0.792024 0.009474 O\n0.792024 0.207976 0.990526 O\n0.650464 0.349536 0.250000 O\n0.349536 0.650464 0.750000 O\n0.100188 0.899812 0.490638 O\n0.899812 0.100188 0.509362 O\n0.100188 0.899812 0.009362 O\n0.899812 0.100188 0.990638 O\n0.546392 0.453608 0.750000 O\n0.453608 0.546392 0.250000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta",
"density": 8.298493506217564,
"density_atomic": 0.0706747019944113,
"volume": 311.28535924692943,
"volume_molar": 8.520928408691713,
"formula_full": "Eu4 Ta4 O14",
"formula_reduced": "Eu2Ta2O7",
"formula_anonymous": "A2B2C7",
"energy": -234.25030348,
"energy_per_atom": -10.647741067272728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.63230348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.8077041,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.587000Z",
"spacegroup": 63
},
{
"id": "mp-1209419",
"created_at": "2022-09-04T14:43:23.621407Z",
"structure_string": "Rb4 Mo2 O8 F4\n1.0\n3.144352 -7.293630 0.000000\n3.144352 7.293630 0.000000\n0.000000 0.000000 7.127566\nRb Mo O F\n4 2 8 4\ndirect\n0.945876 0.054124 0.250000 Rb\n0.054124 0.945876 0.750000 Rb\n0.267383 0.732617 0.250000 Rb\n0.732617 0.267383 0.750000 Rb\n0.609065 0.390935 0.250000 Mo\n0.390935 0.609065 0.750000 Mo\n0.843044 0.615103 0.078962 O\n0.156956 0.384897 0.921038 O\n0.156956 0.384897 0.578962 O\n0.384897 0.156956 0.421038 O\n0.843044 0.615103 0.421038 O\n0.615103 0.843044 0.578962 O\n0.615103 0.843044 0.921038 O\n0.384897 0.156956 0.078962 O\n0.473886 0.526114 0.250000 F\n0.526114 0.473886 0.750000 F\n0.748350 0.251650 0.250000 F\n0.251650 0.748350 0.750000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-O-Rb",
"density": 3.747195114432039,
"density_atomic": 0.055058753613758664,
"volume": 326.923492062159,
"volume_molar": 10.93766270527258,
"formula_full": "Rb4 Mo2 O8 F4",
"formula_reduced": "Rb2Mo(O2F)2",
"formula_anonymous": "AB2C2D4",
"energy": -107.96892844,
"energy_per_atom": -5.998273802222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.22092844,
"band_gap": 0.6217,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0011569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.718000Z",
"spacegroup": 63
},
{
"id": "mp-1224799",
"created_at": "2022-09-04T14:43:23.625606Z",
"structure_string": "Fe6 Ni2 P4\n1.0\n0.000000 -3.551734 0.000000\n-5.746621 0.000000 0.000000\n0.000000 0.000000 -6.523423\nFe Ni P\n6 2 4\ndirect\n0.250000 0.972457 0.163533 Fe\n0.250000 0.472457 0.336467 Fe\n0.750000 0.145519 0.431443 Fe\n0.750000 0.645519 0.068557 Fe\n0.250000 0.852975 0.567277 Fe\n0.250000 0.352975 0.932723 Fe\n0.750000 0.027612 0.835667 Ni\n0.750000 0.527612 0.664333 Ni\n0.750000 0.265328 0.118760 P\n0.750000 0.765328 0.381240 P\n0.250000 0.736110 0.881736 P\n0.250000 0.236110 0.618264 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"P"
],
"chemical_system": "Fe-Ni-P",
"density": 7.188003148780844,
"density_atomic": 0.0901265438681975,
"volume": 133.14612416014745,
"volume_molar": 6.681872511173707,
"formula_full": "Fe6 Ni2 P4",
"formula_reduced": "Fe3NiP2",
"formula_anonymous": "AB2C3",
"energy": -89.69191894,
"energy_per_atom": -7.474326578333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.69191894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.252000Z",
"spacegroup": 26
},
{
"id": "mp-1102115",
"created_at": "2022-09-04T14:43:19.337713Z",
"structure_string": "Co4 Si4 Ni4\n1.0\n4.998624 0.000000 0.000000\n0.000000 3.696365 0.000000\n0.000000 0.000000 7.060644\nCo Si Ni\n4 4 4\ndirect\n0.037504 0.250000 0.289765 Co\n0.537504 0.250000 0.210235 Co\n0.962496 0.750000 0.710235 Co\n0.462496 0.750000 0.789765 Co\n0.207500 0.250000 0.609417 Si\n0.707500 0.250000 0.890583 Si\n0.792500 0.750000 0.390583 Si\n0.292500 0.750000 0.109417 Si\n0.170702 0.250000 0.935255 Ni\n0.670702 0.250000 0.564745 Ni\n0.829298 0.750000 0.064745 Ni\n0.329298 0.750000 0.435255 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Si",
"Ni"
],
"chemical_system": "Co-Ni-Si",
"density": 7.418823807719151,
"density_atomic": 0.09198385609478074,
"volume": 130.45767496021395,
"volume_molar": 6.5469540152727985,
"formula_full": "Co4 Si4 Ni4",
"formula_reduced": "CoSiNi",
"formula_anonymous": "ABC",
"energy": -78.88667814,
"energy_per_atom": -6.573889845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.17067814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1328926,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.925000Z",
"spacegroup": 62
},
{
"id": "mp-773115",
"created_at": "2022-09-04T14:43:19.298530Z",
"structure_string": "Li16 V12 P16 O60\n1.0\n6.654549 0.000000 0.000000\n0.000000 10.681331 0.000000\n0.000000 0.000000 17.447709\nLi V P O\n16 12 16 60\ndirect\n0.822242 0.517946 0.003907 Li\n0.696850 0.951851 0.033804 Li\n0.425137 0.178278 0.094129 Li\n0.853719 0.755714 0.207053 Li\n0.353719 0.255714 0.292947 Li\n0.925137 0.678278 0.405871 Li\n0.196850 0.451851 0.466196 Li\n0.322242 0.017946 0.496093 Li\n0.822242 0.982054 0.503907 Li\n0.696850 0.548149 0.533804 Li\n0.425137 0.321722 0.594129 Li\n0.853719 0.744286 0.707053 Li\n0.353719 0.244286 0.792947 Li\n0.925137 0.821722 0.905871 Li\n0.196850 0.048149 0.966196 Li\n0.322242 0.482054 0.996093 Li\n0.088891 0.507785 0.135006 V\n0.099070 0.001656 0.167094 V\n0.821045 0.260091 0.246006 V\n0.321045 0.760091 0.253994 V\n0.599070 0.501656 0.332906 V\n0.588891 0.007785 0.364994 V\n0.088891 0.992215 0.635006 V\n0.099070 0.498344 0.667094 V\n0.821045 0.239909 0.746006 V\n0.321045 0.739909 0.753994 V\n0.599070 0.998344 0.832906 V\n0.588891 0.492215 0.864994 V\n0.142060 0.772659 0.049967 P\n0.968749 0.242534 0.060421 P\n0.583767 0.516280 0.170068 P\n0.595855 0.996003 0.202647 P\n0.095855 0.496003 0.297353 P\n0.083767 0.016280 0.329932 P\n0.468749 0.742534 0.439579 P\n0.642060 0.272659 0.450033 P\n0.142060 0.727341 0.549967 P\n0.968749 0.257466 0.560421 P\n0.583767 0.983720 0.670068 P\n0.595855 0.503997 0.702647 P\n0.095855 0.003997 0.797353 P\n0.083767 0.483720 0.829932 P\n0.468749 0.757466 0.939579 P\n0.642060 0.227341 0.950033 P\n0.007758 0.865773 0.006824 O\n0.371479 0.803320 0.021096 O\n0.098748 0.634222 0.033973 O\n0.061126 0.371651 0.044619 O\n0.131888 0.141008 0.072833 O\n0.805490 0.239126 0.121262 O\n0.402836 0.500359 0.116905 O\n0.145733 0.802877 0.136280 O\n0.775366 0.538185 0.122588 O\n0.416579 0.017114 0.148861 O\n0.780604 0.964122 0.152120 O\n0.595135 0.399934 0.225673 O\n0.567147 0.629883 0.228878 O\n0.067507 0.387482 0.238218 O\n0.110900 0.614129 0.243956 O\n0.610900 0.114129 0.256044 O\n0.567507 0.887482 0.261782 O\n0.067147 0.129883 0.271122 O\n0.095135 0.899934 0.274327 O\n0.280604 0.464122 0.347880 O\n0.916579 0.517114 0.351139 O\n0.275366 0.038185 0.377412 O\n0.645733 0.302877 0.363719 O\n0.902836 0.000359 0.383095 O\n0.305490 0.739126 0.378738 O\n0.631888 0.641008 0.427167 O\n0.561126 0.871651 0.455381 O\n0.598748 0.134222 0.466027 O\n0.871479 0.303320 0.478904 O\n0.507758 0.365773 0.493176 O\n0.007758 0.634227 0.506824 O\n0.371479 0.696680 0.521096 O\n0.098748 0.865778 0.533973 O\n0.061126 0.128349 0.544619 O\n0.131888 0.358992 0.572833 O\n0.805490 0.260874 0.621262 O\n0.402836 0.999641 0.616905 O\n0.145733 0.697123 0.636281 O\n0.775366 0.961815 0.622588 O\n0.416579 0.482886 0.648861 O\n0.780604 0.535878 0.652120 O\n0.595135 0.100066 0.725673 O\n0.567147 0.870117 0.728878 O\n0.067507 0.112518 0.738218 O\n0.110900 0.885871 0.743956 O\n0.610900 0.385871 0.756044 O\n0.567507 0.612518 0.761782 O\n0.067147 0.370117 0.771122 O\n0.095135 0.600066 0.774327 O\n0.280604 0.035878 0.847880 O\n0.916579 0.982886 0.851139 O\n0.275366 0.461815 0.877412 O\n0.645733 0.197123 0.863719 O\n0.902836 0.499641 0.883095 O\n0.305490 0.760874 0.878738 O\n0.631888 0.858992 0.927167 O\n0.561126 0.628349 0.955381 O\n0.598748 0.365778 0.966027 O\n0.871479 0.196680 0.978904 O\n0.507758 0.134227 0.993176 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.9161124145455237,
"density_atomic": 0.0838592413689061,
"volume": 1240.1733941581044,
"volume_molar": 7.1812487946414105,
"formula_full": "Li16 V12 P16 O60",
"formula_reduced": "Li4V3P4O15",
"formula_anonymous": "A3B4C4D15",
"energy": -794.35640585,
"energy_per_atom": -7.638042363942308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -732.73640585,
"band_gap": 2.1958999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 36.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09Z",
"spacegroup": 33
},
{
"id": "mp-770765",
"created_at": "2022-09-04T14:43:23.658139Z",
"structure_string": "Na12 Mn4 B4 As4 O28\n1.0\n0.087271 0.000328 5.287269\n8.948800 7.205807 0.176438\n-8.945646 7.201873 -0.175580\nNa Mn B As O\n12 4 4 4 28\ndirect\n0.765337 0.163505 0.086403 Na\n0.765310 0.663495 0.586387 Na\n0.234684 0.836523 0.913602 Na\n0.234698 0.336519 0.413584 Na\n0.254908 0.127989 0.876684 Na\n0.254850 0.627938 0.376678 Na\n0.254842 0.373255 0.122178 Na\n0.254861 0.873266 0.622139 Na\n0.745181 0.626725 0.877814 Na\n0.745163 0.126733 0.377817 Na\n0.745137 0.872054 0.123298 Na\n0.745141 0.372004 0.623262 Na\n0.783657 0.040427 0.709782 Mn\n0.216169 0.959625 0.290343 Mn\n0.784110 0.540352 0.209724 Mn\n0.216029 0.459546 0.790257 Mn\n0.721981 0.407047 0.342984 B\n0.721952 0.907067 0.842987 B\n0.278060 0.592955 0.656995 B\n0.278005 0.092967 0.157033 B\n0.718935 0.334343 0.915722 As\n0.718966 0.834337 0.415733 As\n0.281092 0.665662 0.084272 As\n0.280993 0.165658 0.584274 As\n0.311085 0.166893 0.083156 O\n0.311082 0.666890 0.583142 O\n0.688930 0.833122 0.916881 O\n0.688961 0.333096 0.416871 O\n0.958495 0.440920 0.309082 O\n0.958364 0.940975 0.809052 O\n0.041554 0.559035 0.690901 O\n0.041546 0.059076 0.190959 O\n0.526399 0.462845 0.287326 O\n0.526266 0.962855 0.787341 O\n0.473658 0.537126 0.712662 O\n0.473655 0.037155 0.212702 O\n0.396106 0.358442 0.891531 O\n0.396107 0.858480 0.391575 O\n0.603924 0.641518 0.108468 O\n0.603840 0.141552 0.608440 O\n0.128963 0.582130 0.167696 O\n0.128861 0.082155 0.667708 O\n0.871051 0.417849 0.832284 O\n0.871079 0.917877 0.332312 O\n0.788446 0.184822 0.876374 O\n0.788436 0.684819 0.376390 O\n0.788222 0.373492 0.065310 O\n0.788204 0.873486 0.565318 O\n0.211792 0.626510 0.934677 O\n0.211789 0.126519 0.434672 O\n0.211562 0.815184 0.123628 O\n0.211562 0.315185 0.623593 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"Mn",
"B",
"As",
"O"
],
"chemical_system": "As-B-Mn-Na-O",
"density": 3.1354562593823836,
"density_atomic": 0.0763186505691883,
"volume": 681.3537662443114,
"volume_molar": 7.890785168614193,
"formula_full": "Na12 Mn4 B4 As4 O28",
"formula_reduced": "Na3MnBAsO7",
"formula_anonymous": "ABCD3E7",
"energy": -350.44146611,
"energy_per_atom": -6.739258963653847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -324.53346611,
"band_gap": 1.4399,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.042000Z",
"spacegroup": 11
},
{
"id": "mp-1225119",
"created_at": "2022-09-04T14:43:23.667242Z",
"structure_string": "Ga4 Fe4 Ge4\n1.0\n0.000000 4.347403 7.985738\n2.539742 0.000000 7.985738\n2.539742 4.347403 0.000000\nGa Fe Ge\n4 4 4\ndirect\n0.085326 0.085326 0.914674 Ga\n0.914674 0.914674 0.085326 Ga\n0.164674 0.164674 0.335326 Ga\n0.335326 0.335326 0.164674 Ga\n0.371764 0.371764 0.628236 Fe\n0.628236 0.628236 0.371764 Fe\n0.878236 0.878236 0.621764 Fe\n0.621764 0.621764 0.878236 Fe\n0.337705 0.662295 0.337705 Ge\n0.662295 0.337705 0.662295 Ge\n0.912295 0.587705 0.912295 Ge\n0.587705 0.912295 0.587705 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ga-Ge",
"density": 7.465617122757191,
"density_atomic": 0.06804820772478438,
"volume": 176.3455703129325,
"volume_molar": 8.84981539022464,
"formula_full": "Ga4 Fe4 Ge4",
"formula_reduced": "GaFeGe",
"formula_anonymous": "ABC",
"energy": -65.87567194,
"energy_per_atom": -5.489639328333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.87567194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2117191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.565000Z",
"spacegroup": 70
},
{
"id": "mp-1209071",
"created_at": "2022-09-04T14:43:16.652410Z",
"structure_string": "Sn1 C2 N6 F6\n1.0\n-0.142873 0.000000 -6.397797\n0.000000 -6.906743 0.000000\n-5.319519 3.453372 2.534016\nSn C N F\n1 2 6 6\ndirect\n0.719151 0.371969 0.743939 Sn\n0.454737 0.650492 0.300983 C\n0.990390 0.099417 0.198833 C\n0.447157 0.423162 0.185398 N\n0.447157 0.762237 0.185398 N\n0.987988 0.984697 0.969394 N\n0.991947 0.325668 0.312290 N\n0.991947 0.986621 0.312290 N\n0.468344 0.767680 0.535359 N\n0.914529 0.555686 0.111372 F\n0.519347 0.188833 0.377665 F\n0.518169 0.601234 0.785310 F\n0.518169 0.184076 0.785310 F\n0.921234 0.556324 0.700230 F\n0.921234 0.143905 0.700230 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Sn",
"C",
"N",
"F"
],
"chemical_system": "C-F-N-Sn",
"density": 2.381927699370505,
"density_atomic": 0.06314217730772223,
"volume": 237.55911879468107,
"volume_molar": 9.537429681354206,
"formula_full": "Sn1 C2 N6 F6",
"formula_reduced": "SnC2(NF)6",
"formula_anonymous": "AB2C6D6",
"energy": -83.1742157,
"energy_per_atom": -5.544947713333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.2362157,
"band_gap": 0.4874,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999326,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.510000Z",
"spacegroup": 8
},
{
"id": "mp-557935",
"created_at": "2022-09-04T14:43:43.300557Z",
"structure_string": "Dy4 Cu2 B16 O32\n1.0\n8.490372 0.000000 0.000000\n0.000000 6.263462 0.000000\n0.000000 0.055476 10.268610\nDy Cu B O\n4 2 16 32\ndirect\n0.006268 0.495392 0.817880 Dy\n0.506268 0.004608 0.182120 Dy\n0.493732 0.995392 0.817880 Dy\n0.993732 0.504608 0.182120 Dy\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.809225 0.884168 0.381531 B\n0.190775 0.115832 0.618469 B\n0.309225 0.615832 0.618469 B\n0.182257 0.887337 0.000101 B\n0.693311 0.379461 0.626680 B\n0.306689 0.620539 0.373320 B\n0.496374 0.494399 0.806302 B\n0.817743 0.112663 0.999899 B\n0.317743 0.387337 0.000101 B\n0.503626 0.505601 0.193698 B\n0.806689 0.879461 0.626680 B\n0.996374 0.005601 0.193698 B\n0.003626 0.994399 0.806302 B\n0.682257 0.612663 0.999899 B\n0.690775 0.384168 0.381531 B\n0.193311 0.120539 0.373320 B\n0.663441 0.060546 0.992972 O\n0.409168 0.648200 0.724672 O\n0.625808 0.350074 0.504417 O\n0.388888 0.348158 0.878738 O\n0.590832 0.351800 0.275328 O\n0.342563 0.059002 0.637452 O\n0.374192 0.649926 0.495583 O\n0.125808 0.149926 0.495583 O\n0.909168 0.851800 0.275328 O\n0.654936 0.937215 0.643244 O\n0.412888 0.358158 0.109851 O\n0.336559 0.939454 0.007028 O\n0.087112 0.858158 0.109851 O\n0.912888 0.141842 0.890149 O\n0.111112 0.848158 0.878738 O\n0.611112 0.651842 0.121262 O\n0.095323 0.156918 0.265654 O\n0.345064 0.062785 0.356756 O\n0.163441 0.439454 0.007028 O\n0.157437 0.559001 0.637452 O\n0.845064 0.437215 0.643244 O\n0.874192 0.850074 0.504417 O\n0.836559 0.560546 0.992972 O\n0.595323 0.343082 0.734346 O\n0.587112 0.641842 0.890149 O\n0.657437 0.940998 0.362548 O\n0.888888 0.151842 0.121262 O\n0.154936 0.562785 0.356756 O\n0.904677 0.843082 0.734346 O\n0.090832 0.148200 0.724672 O\n0.842563 0.440998 0.362548 O\n0.404677 0.656918 0.265654 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Dy",
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-Dy-O",
"density": 4.445884136936091,
"density_atomic": 0.09888739449495566,
"volume": 546.0756679432442,
"volume_molar": 6.089897292528215,
"formula_full": "Dy4 Cu2 B16 O32",
"formula_reduced": "Dy2Cu(BO2)8",
"formula_anonymous": "AB2C8D16",
"energy": -450.9336766099999,
"energy_per_atom": -8.350623640925924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -428.94967661,
"band_gap": 0.8659000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9643831,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.564000Z",
"spacegroup": 14
}
]
}