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{
"count": 146323,
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"results": [
{
"id": "mp-3680",
"created_at": "2022-09-04T14:39:57.979914Z",
"structure_string": "Er8 Fe56 B4\n1.0\n8.716964 0.000000 0.000000\n0.000000 8.716964 0.000000\n0.000000 0.000000 11.846352\nEr Fe B\n8 56 4\ndirect\n0.266698 0.733302 0.000000 Er\n0.766698 0.766698 0.500000 Er\n0.233302 0.233302 0.500000 Er\n0.733302 0.266698 0.000000 Er\n0.856436 0.856436 0.000000 Er\n0.643564 0.356436 0.500000 Er\n0.356436 0.643564 0.500000 Er\n0.143564 0.143564 0.000000 Er\n0.141498 0.462832 0.325686 Fe\n0.858502 0.537168 0.325686 Fe\n0.462832 0.141498 0.674314 Fe\n0.962832 0.358502 0.825686 Fe\n0.037168 0.641498 0.825686 Fe\n0.358502 0.962832 0.174314 Fe\n0.641498 0.037168 0.174314 Fe\n0.537168 0.858502 0.674314 Fe\n0.858502 0.537168 0.674314 Fe\n0.141498 0.462832 0.674314 Fe\n0.537168 0.858502 0.325686 Fe\n0.037168 0.641498 0.174314 Fe\n0.962832 0.358502 0.174314 Fe\n0.641498 0.037168 0.825686 Fe\n0.358502 0.962832 0.825686 Fe\n0.462832 0.141498 0.325686 Fe\n0.066014 0.724366 0.374062 Fe\n0.933986 0.275634 0.374062 Fe\n0.724366 0.066014 0.625938 Fe\n0.224366 0.433986 0.874062 Fe\n0.775634 0.566014 0.874062 Fe\n0.433986 0.224366 0.125938 Fe\n0.566014 0.775634 0.125938 Fe\n0.275634 0.933986 0.625938 Fe\n0.933986 0.275634 0.625938 Fe\n0.066014 0.724366 0.625938 Fe\n0.275634 0.933986 0.374062 Fe\n0.775634 0.566014 0.125938 Fe\n0.224366 0.433986 0.125938 Fe\n0.566014 0.775634 0.874062 Fe\n0.433986 0.224366 0.874062 Fe\n0.724366 0.066014 0.374062 Fe\n0.817021 0.817021 0.745905 Fe\n0.182979 0.182979 0.745905 Fe\n0.817021 0.817021 0.254095 Fe\n0.317021 0.682979 0.245905 Fe\n0.682979 0.317021 0.245905 Fe\n0.682979 0.317021 0.754095 Fe\n0.317021 0.682979 0.754095 Fe\n0.182979 0.182979 0.254095 Fe\n0.597149 0.597149 0.699448 Fe\n0.402851 0.402851 0.699448 Fe\n0.597149 0.597149 0.300552 Fe\n0.097149 0.902851 0.199448 Fe\n0.902851 0.097149 0.199448 Fe\n0.902851 0.097149 0.800552 Fe\n0.097149 0.902851 0.800552 Fe\n0.402851 0.402851 0.300552 Fe\n0.000000 0.000000 0.616001 Fe\n0.500000 0.500000 0.116001 Fe\n0.500000 0.500000 0.883999 Fe\n0.000000 0.000000 0.383999 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.624910 0.624910 0.000000 B\n0.875090 0.124910 0.500000 B\n0.124910 0.875090 0.500000 B\n0.375090 0.375090 0.000000 B\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Er",
"Fe",
"B"
],
"chemical_system": "B-Er-Fe",
"density": 8.317238094211541,
"density_atomic": 0.07554292122375363,
"volume": 900.1505223578534,
"volume_molar": 7.9718134570978245,
"formula_full": "Er8 Fe56 B4",
"formula_reduced": "Er2Fe14B",
"formula_anonymous": "AB2C14",
"energy": -545.57720079,
"energy_per_atom": -8.023194129264706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.57720079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 123.816531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.499000Z",
"spacegroup": 136
},
{
"id": "mp-1225933",
"created_at": "2022-09-04T14:43:21.505511Z",
"structure_string": "Dy4 Tm4 Fe56 B4\n1.0\n8.705950 0.000000 0.000000\n0.000000 8.705950 0.000000\n0.000000 0.000000 11.871934\nDy Tm Fe B\n4 4 56 4\ndirect\n0.232819 0.767181 0.500000 Dy\n0.767181 0.232819 0.500000 Dy\n0.267182 0.267182 0.000000 Dy\n0.732819 0.732819 0.000000 Dy\n0.643546 0.643546 0.500000 Tm\n0.356454 0.356454 0.500000 Tm\n0.856454 0.143546 0.000000 Tm\n0.143546 0.856454 0.000000 Tm\n0.182883 0.817117 0.253406 Fe\n0.817117 0.182883 0.253406 Fe\n0.317117 0.317117 0.753406 Fe\n0.682883 0.682883 0.753406 Fe\n0.817117 0.182883 0.746594 Fe\n0.182883 0.817117 0.746594 Fe\n0.682883 0.682883 0.246594 Fe\n0.317117 0.317117 0.246594 Fe\n0.933550 0.724645 0.373292 Fe\n0.066450 0.275355 0.373292 Fe\n0.566450 0.224645 0.873292 Fe\n0.433550 0.775355 0.873292 Fe\n0.066450 0.275355 0.626708 Fe\n0.933550 0.724645 0.626708 Fe\n0.433550 0.775355 0.126708 Fe\n0.566450 0.224645 0.126708 Fe\n0.724645 0.933550 0.373292 Fe\n0.275355 0.066450 0.373292 Fe\n0.224645 0.566450 0.873292 Fe\n0.775355 0.433550 0.873292 Fe\n0.275355 0.066450 0.626708 Fe\n0.724645 0.933550 0.626708 Fe\n0.775355 0.433550 0.126708 Fe\n0.224645 0.566450 0.126708 Fe\n0.500000 0.500000 0.115048 Fe\n0.000000 0.000000 0.615048 Fe\n0.500000 0.500000 0.884952 Fe\n0.000000 0.000000 0.384952 Fe\n0.141525 0.536937 0.325529 Fe\n0.858475 0.463063 0.325529 Fe\n0.358475 0.036937 0.825529 Fe\n0.641525 0.963063 0.825529 Fe\n0.858475 0.463063 0.674471 Fe\n0.141525 0.536937 0.674471 Fe\n0.641525 0.963063 0.174471 Fe\n0.358475 0.036937 0.174471 Fe\n0.536937 0.141525 0.325529 Fe\n0.463063 0.858475 0.325529 Fe\n0.036937 0.358475 0.825529 Fe\n0.963063 0.641525 0.825529 Fe\n0.463063 0.858475 0.674471 Fe\n0.536937 0.141525 0.674471 Fe\n0.963063 0.641525 0.174471 Fe\n0.036937 0.358475 0.174471 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.403322 0.596678 0.300093 Fe\n0.596678 0.403322 0.300093 Fe\n0.096678 0.096678 0.800093 Fe\n0.903322 0.903322 0.800093 Fe\n0.596678 0.403322 0.699907 Fe\n0.403322 0.596678 0.699907 Fe\n0.903322 0.903322 0.199907 Fe\n0.096678 0.096678 0.199907 Fe\n0.872331 0.872331 0.500000 B\n0.127669 0.127669 0.500000 B\n0.627669 0.372331 0.000000 B\n0.372331 0.627669 0.000000 B\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Dy",
"Tm",
"Fe",
"B"
],
"chemical_system": "B-Dy-Fe-Tm",
"density": 8.297564713250274,
"density_atomic": 0.07557098831993615,
"volume": 899.8162060831634,
"volume_molar": 7.968852722297026,
"formula_full": "Dy4 Tm4 Fe56 B4",
"formula_reduced": "DyTmFe14B",
"formula_anonymous": "ABCD14",
"energy": -545.05709528,
"energy_per_atom": -8.01554551882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.05709528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 123.9123469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.491000Z",
"spacegroup": 136
},
{
"id": "mp-1247650",
"created_at": "2022-09-04T14:44:07.404053Z",
"structure_string": "Sr4 Ca28 Mn28 Cr4 O80\n1.0\n11.029509 -0.029262 -0.158701\n-0.036767 15.442119 -0.003709\n-0.155288 0.002020 11.158396\nSr Ca Mn Cr O\n4 28 28 4 80\ndirect\n0.000769 0.111922 0.509895 Sr\n0.512662 0.376680 0.992779 Sr\n0.240916 0.389194 0.262999 Sr\n0.229814 0.121280 0.249279 Sr\n0.996643 0.111879 0.008325 Ca\n0.004958 0.612876 0.507183 Ca\n0.998466 0.612418 0.011302 Ca\n0.542900 0.129239 0.481236 Ca\n0.548450 0.127879 0.983138 Ca\n0.542800 0.629766 0.481767 Ca\n0.543451 0.628654 0.982560 Ca\n0.516261 0.372774 0.491632 Ca\n0.520132 0.872793 0.988011 Ca\n0.519425 0.874727 0.489302 Ca\n0.961742 0.385808 0.005598 Ca\n0.957767 0.387216 0.506298 Ca\n0.957542 0.879925 0.008085 Ca\n0.958938 0.882549 0.503304 Ca\n0.234193 0.396427 0.757214 Ca\n0.231778 0.890776 0.271482 Ca\n0.232595 0.891312 0.769867 Ca\n0.758416 0.381963 0.257167 Ca\n0.756918 0.372571 0.756763 Ca\n0.758495 0.872996 0.258759 Ca\n0.753806 0.873842 0.755388 Ca\n0.224684 0.115075 0.744718 Ca\n0.227383 0.619631 0.243310 Ca\n0.224521 0.621720 0.748337 Ca\n0.775741 0.116532 0.251085 Ca\n0.782232 0.121817 0.754454 Ca\n0.781386 0.624375 0.251882 Ca\n0.781536 0.622354 0.754713 Ca\n0.995106 0.993462 0.758964 Mn\n0.995456 0.498376 0.257169 Mn\n0.994121 0.497152 0.754450 Mn\n0.504551 0.987411 0.231578 Mn\n0.505711 0.989573 0.736848 Mn\n0.507748 0.496957 0.238219 Mn\n0.502553 0.492198 0.733895 Mn\n0.245509 0.996478 0.522296 Mn\n0.240533 0.503768 0.017418 Mn\n0.246063 0.504784 0.521430 Mn\n0.746483 0.000887 0.997477 Mn\n0.743755 0.001828 0.499422 Mn\n0.746972 0.503333 0.997983 Mn\n0.742831 0.503498 0.498940 Mn\n0.270561 0.247354 0.473061 Mn\n0.271922 0.744898 0.959834 Mn\n0.275024 0.742665 0.459209 Mn\n0.759516 0.248390 0.004575 Mn\n0.752167 0.248895 0.504650 Mn\n0.756569 0.746656 0.000791 Mn\n0.756392 0.746554 0.503438 Mn\n0.997804 0.254112 0.764838 Mn\n0.996345 0.752336 0.261963 Mn\n0.994855 0.752740 0.760049 Mn\n0.517660 0.251527 0.252763 Mn\n0.507312 0.248089 0.752404 Mn\n0.512815 0.746754 0.249336 Mn\n0.512068 0.746150 0.749386 Mn\n0.994842 0.996503 0.254630 Cr\n0.238412 0.995987 0.019007 Cr\n0.266709 0.241096 0.946561 Cr\n0.985505 0.253326 0.271796 Cr\n0.594283 0.251424 0.097694 O\n0.582765 0.254376 0.597146 O\n0.587583 0.754406 0.091062 O\n0.585703 0.755224 0.592380 O\n0.401038 0.199584 0.358046 O\n0.394746 0.181999 0.859961 O\n0.399960 0.679157 0.348021 O\n0.399996 0.683718 0.851411 O\n0.905580 0.237596 0.406615 O\n0.910399 0.236793 0.921006 O\n0.905800 0.733841 0.418723 O\n0.907272 0.733647 0.917864 O\n0.146217 0.252937 0.326156 O\n0.175095 0.255544 0.799766 O\n0.164659 0.751870 0.308819 O\n0.162283 0.754088 0.807744 O\n0.660230 0.226069 0.355135 O\n0.658627 0.229657 0.856147 O\n0.659851 0.727206 0.355932 O\n0.659510 0.725330 0.853479 O\n0.865277 0.276523 0.151034 O\n0.864082 0.272437 0.646748 O\n0.856292 0.771001 0.149875 O\n0.856280 0.773370 0.649597 O\n0.356846 0.512127 0.154044 O\n0.346898 0.513627 0.669225 O\n0.350314 0.006093 0.161229 O\n0.346474 0.003571 0.670480 O\n0.851919 0.484942 0.138039 O\n0.845332 0.481150 0.640608 O\n0.849845 0.978860 0.141736 O\n0.856473 0.983043 0.647891 O\n0.148213 0.005542 0.373198 O\n0.148562 0.008793 0.867045 O\n0.157268 0.512756 0.373044 O\n0.153842 0.508879 0.868765 O\n0.622572 0.025902 0.344330 O\n0.632908 0.024716 0.848903 O\n0.634422 0.527735 0.349437 O\n0.626625 0.522162 0.848757 O\n0.879508 0.012115 0.389515 O\n0.886582 0.014751 0.894851 O\n0.885273 0.518559 0.394099 O\n0.886719 0.518101 0.890610 O\n0.098010 0.475495 0.122462 O\n0.096564 0.473525 0.621208 O\n0.102699 0.970130 0.115807 O\n0.098977 0.970136 0.625767 O\n0.602320 0.500207 0.093801 O\n0.588475 0.496828 0.584731 O\n0.595020 0.995688 0.085130 O\n0.592590 0.996828 0.587717 O\n0.987734 0.378635 0.300526 O\n0.995634 0.375558 0.798483 O\n0.994965 0.873178 0.296349 O\n0.991358 0.874650 0.801084 O\n0.481723 0.376945 0.281136 O\n0.463455 0.373756 0.775924 O\n0.475415 0.871960 0.284638 O\n0.481800 0.870866 0.782412 O\n0.994958 0.128021 0.221529 O\n0.003172 0.127592 0.732640 O\n0.000469 0.627566 0.222070 O\n0.999507 0.628021 0.718330 O\n0.216482 0.138887 0.027562 O\n0.233000 0.128962 0.538029 O\n0.215714 0.633722 0.035565 O\n0.220279 0.633847 0.541229 O\n0.757618 0.125156 0.037918 O\n0.753105 0.124806 0.540717 O\n0.753523 0.625529 0.038872 O\n0.749504 0.625687 0.544575 O\n0.299493 0.377489 0.499786 O\n0.280541 0.360461 0.998065 O\n0.299585 0.875529 0.486352 O\n0.299499 0.877229 0.982436 O\n0.738119 0.378386 0.466312 O\n0.745637 0.377569 0.966718 O\n0.740865 0.874196 0.468603 O\n0.741824 0.872493 0.964614 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 3.931669268400707,
"density_atomic": 0.07578571417162719,
"volume": 1900.094253567264,
"volume_molar": 7.946274341839719,
"formula_full": "Sr4 Ca28 Mn28 Cr4 O80",
"formula_reduced": "SrCa7Mn7CrO20",
"formula_anonymous": "ABC7D7E20",
"energy": -1118.41883451,
"energy_per_atom": -7.766797461874999,
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"energy_uncorrected": -1008.75883451,
"band_gap": 0.1989,
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"total_magnetization": 123.9999051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.386000Z",
"spacegroup": 1
},
{
"id": "mp-1247684",
"created_at": "2022-09-04T14:48:20.926464Z",
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{
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{
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