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{
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"results": [
{
"id": "mp-1175333",
"created_at": "2022-09-04T14:39:38.045243Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n1.451453 6.587112 0.000000\n-1.451453 6.587112 0.000000\n0.000000 2.587058 11.541032\nLi Mn Co O\n7 4 1 12\ndirect\n0.664553 0.664553 0.079075 Li\n0.999189 0.999189 0.252095 Li\n0.337150 0.337150 0.425473 Li\n0.335848 0.335848 0.909525 Li\n0.000525 0.000525 0.747150 Li\n0.667007 0.667007 0.592655 Li\n0.333570 0.333570 0.663528 Li\n0.005385 0.005385 0.995009 Mn\n0.988665 0.988665 0.506015 Mn\n0.334620 0.334620 0.166986 Mn\n0.662479 0.662479 0.337448 Mn\n0.687759 0.687759 0.819379 Co\n0.505468 0.505468 0.107805 O\n0.836212 0.836212 0.277915 O\n0.154822 0.154822 0.451469 O\n0.152040 0.152040 0.954562 O\n0.826222 0.826222 0.798585 O\n0.499437 0.499437 0.610552 O\n0.843931 0.843931 0.050813 O\n0.163122 0.163122 0.222198 O\n0.495135 0.495135 0.389915 O\n0.495934 0.495934 0.890370 O\n0.163683 0.163683 0.714209 O\n0.847231 0.847231 0.537269 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9071998778001786,
"density_atomic": 0.10875233132912719,
"volume": 220.68492423731672,
"volume_molar": 5.537481989029404,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -162.64099261,
"energy_per_atom": -6.776708025416667,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:36.504000Z",
"spacegroup": 8
},
{
"id": "mp-1185632",
"created_at": "2022-09-04T14:39:38.047169Z",
"structure_string": "Mg149 Se1\n1.0\n13.778398 -7.954998 0.000000\n-0.000029 15.909947 -0.000000\n0.000000 -0.000000 15.585241\nMg Se\n149 1\ndirect\n0.800609 0.001639 0.000000 Mg\n0.201030 0.001640 -0.000000 Mg\n0.201030 0.199391 -0.000000 Mg\n0.998359 0.199391 0.000000 Mg\n0.800135 0.199864 -0.000000 Mg\n0.399729 0.199865 0.000000 Mg\n0.600289 0.200578 0.000000 Mg\n0.199283 0.398566 0.000000 Mg\n0.799422 0.399712 0.000000 Mg\n0.600290 0.399711 -0.000000 Mg\n0.400339 0.400661 0.000000 Mg\n0.000323 0.400661 0.000000 Mg\n0.599339 0.599661 -0.000000 Mg\n0.000323 0.599662 0.000000 Mg\n0.399709 0.600290 0.000000 Mg\n0.200581 0.600291 -0.000000 Mg\n0.800135 0.600271 -0.000000 Mg\n0.800609 0.798969 -0.000000 Mg\n0.998360 0.798970 0.000000 Mg\n0.399709 0.799419 -0.000000 Mg\n0.199283 0.800718 0.000000 Mg\n0.601434 0.800717 -0.000000 Mg\n0.400339 0.999677 -0.000000 Mg\n0.599339 0.999677 0.000000 Mg\n0.066181 0.332322 0.165961 Mg\n0.266142 0.332323 0.165961 Mg\n0.667677 0.733858 0.165961 Mg\n0.066181 0.733858 0.165961 Mg\n0.667677 0.933819 0.165961 Mg\n0.266143 0.933819 0.165961 Mg\n0.266436 0.532874 0.166109 Mg\n0.266436 0.733563 0.166109 Mg\n0.467126 0.733564 0.166109 Mg\n0.666667 0.333333 0.166129 Mg\n0.666842 0.133434 0.166168 Mg\n0.466593 0.133434 0.166168 Mg\n0.866565 0.333158 0.166168 Mg\n0.466593 0.333159 0.166168 Mg\n0.866566 0.533407 0.166168 Mg\n0.666842 0.533407 0.166168 Mg\n0.466554 0.533446 0.166330 Mg\n0.066892 0.533446 0.166330 Mg\n0.466554 0.933108 0.166330 Mg\n0.066128 0.132256 0.166780 Mg\n0.867744 0.933872 0.166780 Mg\n0.066128 0.933872 0.166780 Mg\n0.266781 0.133391 0.167167 Mg\n0.866609 0.133391 0.167167 Mg\n0.866609 0.733219 0.167167 Mg\n-0.000000 0.000000 0.331610 Mg\n0.199839 0.399680 0.332498 Mg\n0.600320 0.800160 0.332498 Mg\n0.199840 0.800159 0.332498 Mg\n0.399773 0.199887 0.332838 Mg\n0.800114 0.199887 0.332838 Mg\n0.800114 0.600227 0.332838 Mg\n0.600178 0.200357 0.332837 Mg\n0.600178 0.399821 0.332837 Mg\n0.799642 0.399821 0.332837 Mg\n0.200300 0.600149 0.332831 Mg\n0.399850 0.600150 0.332831 Mg\n0.399850 0.799700 0.332831 Mg\n0.399898 0.999892 0.333163 Mg\n0.599993 0.999892 0.333163 Mg\n0.399898 0.400007 0.333163 Mg\n0.000109 0.400008 0.333163 Mg\n0.599993 0.600102 0.333163 Mg\n0.000109 0.600101 0.333163 Mg\n0.199830 0.999899 0.333791 Mg\n0.800069 0.999899 0.333791 Mg\n0.199830 0.199931 0.333791 Mg\n0.000101 0.199931 0.333791 Mg\n0.000101 0.800170 0.333791 Mg\n0.800069 0.800170 0.333791 Mg\n0.066431 0.132862 0.500000 Mg\n0.866634 0.133365 0.500000 Mg\n0.266730 0.133366 0.500000 Mg\n0.666554 0.133173 0.500000 Mg\n0.466619 0.133173 0.500000 Mg\n0.266436 0.333239 0.500000 Mg\n0.066802 0.333239 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866827 0.333446 0.500000 Mg\n0.466619 0.333446 0.500000 Mg\n0.866827 0.533381 0.500000 Mg\n0.666554 0.533381 0.500000 Mg\n0.266524 0.533048 0.500000 Mg\n0.066714 0.533357 0.500000 Mg\n0.466643 0.533357 0.500000 Mg\n0.866634 0.733270 0.500000 Mg\n0.466952 0.733476 0.500000 Mg\n0.266524 0.733476 0.500000 Mg\n0.066802 0.733562 0.500000 Mg\n0.666760 0.733563 0.500000 Mg\n0.466643 0.933286 0.500000 Mg\n0.266436 0.933197 0.500000 Mg\n0.666760 0.933198 0.500000 Mg\n0.066431 0.933569 0.500000 Mg\n0.867138 0.933569 0.500000 Mg\n0.199830 0.999899 0.666208 Mg\n0.800069 0.999899 0.666208 Mg\n0.199830 0.199931 0.666208 Mg\n0.000101 0.199931 0.666208 Mg\n0.000101 0.800170 0.666207 Mg\n0.800069 0.800170 0.666208 Mg\n0.399898 0.999892 0.666836 Mg\n0.599993 0.999892 0.666836 Mg\n0.399898 0.400007 0.666836 Mg\n0.000110 0.400008 0.666836 Mg\n0.599993 0.600102 0.666836 Mg\n0.000110 0.600102 0.666836 Mg\n0.200300 0.600150 0.667168 Mg\n0.399850 0.600151 0.667168 Mg\n0.399850 0.799699 0.667169 Mg\n0.600178 0.200357 0.667163 Mg\n0.600178 0.399821 0.667163 Mg\n0.799643 0.399821 0.667163 Mg\n0.399773 0.199887 0.667162 Mg\n0.800114 0.199887 0.667162 Mg\n0.800114 0.600227 0.667162 Mg\n0.199840 0.399680 0.667502 Mg\n0.600320 0.800159 0.667502 Mg\n0.199839 0.800159 0.667502 Mg\n0.000000 -0.000000 0.668389 Mg\n0.266781 0.133391 0.832833 Mg\n0.866609 0.133391 0.832833 Mg\n0.866609 0.733219 0.832833 Mg\n0.066128 0.132256 0.833220 Mg\n0.867744 0.933872 0.833220 Mg\n0.066128 0.933873 0.833220 Mg\n0.466554 0.533446 0.833669 Mg\n0.066891 0.533446 0.833669 Mg\n0.466554 0.933108 0.833669 Mg\n0.666842 0.133434 0.833832 Mg\n0.466593 0.133434 0.833832 Mg\n0.866566 0.333159 0.833832 Mg\n0.466593 0.333159 0.833832 Mg\n0.866566 0.533408 0.833832 Mg\n0.666841 0.533407 0.833832 Mg\n0.666667 0.333333 0.833872 Mg\n0.266437 0.532874 0.833892 Mg\n0.266436 0.733563 0.833891 Mg\n0.467126 0.733563 0.833891 Mg\n0.066181 0.332322 0.834039 Mg\n0.266142 0.332323 0.834039 Mg\n0.667677 0.733857 0.834039 Mg\n0.066181 0.733858 0.834039 Mg\n0.667677 0.933819 0.834039 Mg\n0.266142 0.933819 0.834039 Mg\n-0.000000 -0.000000 -0.000000 Se\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 1.7985306066199487,
"density_atomic": 0.04390467183177172,
"volume": 3416.4929093366354,
"volume_molar": 13.716400803711425,
"formula_full": "Mg149 Se1",
"formula_reduced": "Mg149Se",
"formula_anonymous": "AB149",
"energy": -246.87569332,
"energy_per_atom": -1.6458379554666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -246.40369332,
"band_gap": 0.1716000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.801000Z",
"spacegroup": 187
},
{
"id": "mp-5671",
"created_at": "2022-09-04T14:39:38.049181Z",
"structure_string": "Sr1 Co2 P2\n1.0\n-1.894638 1.894638 5.802159\n1.894638 -1.894638 5.802159\n1.894638 1.894638 -5.802159\nSr Co P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.651052 0.651052 0.000000 P\n0.348948 0.348948 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Co",
"P"
],
"chemical_system": "Co-P-Sr",
"density": 5.330445086509914,
"density_atomic": 0.06001611791746501,
"volume": 83.31095334883321,
"volume_molar": 10.034205758329339,
"formula_full": "Sr1 Co2 P2",
"formula_reduced": "Sr(CoP)2",
"formula_anonymous": "AB2C2",
"energy": -30.90395059,
"energy_per_atom": -6.180790118,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -30.90395059,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.618000Z",
"spacegroup": 139
},
{
"id": "mp-18315",
"created_at": "2022-09-04T14:39:37.785447Z",
"structure_string": "Cs12 Si4 O14\n1.0\n9.644427 0.000000 0.000000\n0.000000 7.289684 0.000000\n0.000000 7.287767 9.825135\nCs Si O\n12 4 14\ndirect\n0.355855 0.520916 0.596900 Cs\n0.144145 0.520916 0.096900 Cs\n0.644145 0.479084 0.403100 Cs\n0.972776 0.705815 0.544834 Cs\n0.472776 0.294185 0.955166 Cs\n0.027224 0.294185 0.455166 Cs\n0.527224 0.705815 0.044834 Cs\n0.275999 0.888782 0.727215 Cs\n0.775999 0.111218 0.772785 Cs\n0.724001 0.111218 0.272785 Cs\n0.224001 0.888782 0.227215 Cs\n0.855855 0.479084 0.903100 Cs\n0.628472 0.841480 0.617810 Si\n0.871528 0.841480 0.117810 Si\n0.371528 0.158520 0.382190 Si\n0.128472 0.158520 0.882190 Si\n0.268626 0.995314 0.937776 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.924469 0.777280 0.265285 O\n0.768626 0.004686 0.562224 O\n0.731374 0.004686 0.062224 O\n0.231374 0.995314 0.437776 O\n0.653990 0.610460 0.624455 O\n0.153990 0.389540 0.875545 O\n0.346010 0.389540 0.375545 O\n0.846010 0.610460 0.124455 O\n0.575531 0.777280 0.765285 O\n0.075531 0.222720 0.734715 O\n0.424469 0.222720 0.234715 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Cs",
"Si",
"O"
],
"chemical_system": "Cs-O-Si",
"density": 4.642505974612121,
"density_atomic": 0.043430776638517674,
"volume": 690.7543986536439,
"volume_molar": 13.866067397604658,
"formula_full": "Cs12 Si4 O14",
"formula_reduced": "Cs6Si2O7",
"formula_anonymous": "A2B6C7",
"energy": -173.35465366,
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"energy_uncorrected": -163.73665366,
"band_gap": 3.1667,
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"updated_at": "2021-11-28T01:34:24.374000Z",
"spacegroup": 14
},
{
"id": "mp-1037599",
"created_at": "2022-09-04T14:39:37.793464Z",
"structure_string": "K1 Mg30 Fe1 O32\n1.0\n8.579136 0.000000 0.000000\n0.000000 8.579136 0.000000\n0.000000 0.000000 8.585199\nK Mg Fe O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251704 0.251704 0.000000 Mg\n0.251704 0.748296 0.000000 Mg\n0.748296 0.251704 0.000000 Mg\n0.748296 0.748296 0.000000 Mg\n0.251280 0.251280 0.500000 Mg\n0.251280 0.748720 0.500000 Mg\n0.748720 0.251280 0.500000 Mg\n0.748720 0.748720 0.500000 Mg\n0.000000 0.252826 0.251577 Mg\n0.000000 0.747174 0.251577 Mg\n0.500000 0.250033 0.251247 Mg\n0.500000 0.749967 0.251247 Mg\n0.000000 0.252826 0.748423 Mg\n0.000000 0.747174 0.748423 Mg\n0.500000 0.250033 0.748753 Mg\n0.500000 0.749967 0.748753 Mg\n0.252826 0.000000 0.251577 Mg\n0.250033 0.500000 0.251247 Mg\n0.747174 0.000000 0.251577 Mg\n0.749967 0.500000 0.251247 Mg\n0.252826 0.000000 0.748423 Mg\n0.250033 0.500000 0.748753 Mg\n0.747174 0.000000 0.748423 Mg\n0.749967 0.500000 0.748753 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.244764 O\n0.000000 0.500000 0.252450 O\n0.500000 0.000000 0.252450 O\n0.500000 0.500000 0.273079 O\n0.000000 0.000000 0.755236 O\n0.000000 0.500000 0.747550 O\n0.500000 0.000000 0.747550 O\n0.500000 0.500000 0.726921 O\n0.249288 0.249288 0.249100 O\n0.249288 0.750712 0.249100 O\n0.750712 0.249288 0.249100 O\n0.750712 0.750712 0.249100 O\n0.249288 0.249288 0.750900 O\n0.249288 0.750712 0.750900 O\n0.750712 0.249288 0.750900 O\n0.750712 0.750712 0.750900 O\n0.000000 0.240234 0.000000 O\n0.000000 0.759766 0.000000 O\n0.500000 0.225938 0.000000 O\n0.500000 0.774062 0.000000 O\n0.000000 0.247444 0.500000 O\n0.000000 0.752556 0.500000 O\n0.500000 0.245623 0.500000 O\n0.500000 0.754377 0.500000 O\n0.240234 0.000000 0.000000 O\n0.225938 0.500000 0.000000 O\n0.759766 0.000000 0.000000 O\n0.774062 0.500000 0.000000 O\n0.247444 0.000000 0.500000 O\n0.245623 0.500000 0.500000 O\n0.752556 0.000000 0.500000 O\n0.754377 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"K",
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-K-Mg-O",
"density": 3.511091693450793,
"density_atomic": 0.1012843866981783,
"volume": 631.884163851595,
"volume_molar": 5.945774029264388,
"formula_full": "K1 Mg30 Fe1 O32",
"formula_reduced": "KMg30FeO32",
"formula_anonymous": "ABC30D32",
"energy": -402.82576533,
"energy_per_atom": -6.29415258328125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -378.58576533,
"band_gap": 2.7585,
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"is_magnetic": true,
"total_magnetization": 5.0043192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.199000Z",
"spacegroup": 123
},
{
"id": "mp-3489",
"created_at": "2022-09-04T14:39:37.825437Z",
"structure_string": "Nd1 Fe2 Si2\n1.0\n-2.010425 2.010425 4.879412\n2.010425 -2.010425 4.879412\n2.010425 2.010425 -4.879412\nNd Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.639926 0.639926 0.000000 Si\n0.360074 0.360074 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Si"
],
"chemical_system": "Fe-Nd-Si",
"density": 6.569673812008054,
"density_atomic": 0.06338212137799153,
"volume": 78.88659911178318,
"volume_molar": 9.501324078576985,
"formula_full": "Nd1 Fe2 Si2",
"formula_reduced": "Nd(FeSi)2",
"formula_anonymous": "AB2C2",
"energy": -35.53463306,
"energy_per_atom": -7.106926612,
"energy_above_hull": null,
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"energy_uncorrected": -35.67663306,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:41.049000Z",
"spacegroup": 139
},
{
"id": "mp-1036563",
"created_at": "2022-09-04T14:39:37.835039Z",
"structure_string": "K1 Mg14 Al1 O16\n1.0\n8.575513 0.000000 0.000000\n0.000000 8.575513 0.000000\n0.000000 0.000000 4.380291\nK Mg Al O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.251297 0.000000 0.500000 Mg\n0.748703 0.000000 0.500000 Mg\n0.250783 0.500000 0.500000 Mg\n0.749217 0.500000 0.500000 Mg\n0.000000 0.251297 0.500000 Mg\n0.500000 0.250783 0.500000 Mg\n0.000000 0.748703 0.500000 Mg\n0.500000 0.749217 0.500000 Mg\n0.251671 0.251671 0.000000 Mg\n0.748329 0.251671 0.000000 Mg\n0.251671 0.748329 0.000000 Mg\n0.748329 0.748329 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.225714 0.000000 O\n0.500000 0.223098 0.000000 O\n0.000000 0.774286 0.000000 O\n0.500000 0.776902 0.000000 O\n0.248877 0.248877 0.500000 O\n0.751123 0.248877 0.500000 O\n0.248877 0.751123 0.500000 O\n0.751123 0.751123 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.225714 0.000000 0.000000 O\n0.774286 0.000000 0.000000 O\n0.223098 0.500000 0.000000 O\n0.776902 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mg",
"Al",
"O"
],
"chemical_system": "Al-K-Mg-O",
"density": 3.4143422723062438,
"density_atomic": 0.09934060387918393,
"volume": 322.1240736458353,
"volume_molar": 6.062114105249458,
"formula_full": "K1 Mg14 Al1 O16",
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