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{
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"results": [
{
"id": "mp-1222211",
"created_at": "2022-09-04T14:46:16.738085Z",
"structure_string": "Mg5 Mn3 Zn4 Si4 O24\n1.0\n-4.183381 0.009634 -3.025041\n4.183381 -0.009634 -3.025041\n0.048240 -18.237751 0.000000\nMg Mn Zn Si O\n5 3 4 4 24\ndirect\n0.995015 0.492290 0.998397 Mg\n0.507710 0.004985 0.998397 Mg\n0.000267 0.499542 0.499995 Mg\n0.500458 0.999733 0.499995 Mg\n0.002681 0.997319 0.102871 Mg\n0.983783 0.016217 0.911123 Mn\n0.483185 0.516815 0.583470 Mn\n0.517274 0.482726 0.416713 Mn\n0.154719 0.352745 0.252248 Zn\n0.349636 0.151153 0.749245 Zn\n0.848847 0.650364 0.749245 Zn\n0.647255 0.845281 0.252248 Zn\n0.642094 0.357906 0.154076 Si\n0.357481 0.642519 0.846814 Si\n0.856231 0.143769 0.652583 Si\n0.142772 0.857228 0.348404 Si\n0.812585 0.802822 0.992723 O\n0.295797 0.295768 0.500212 O\n0.197178 0.187415 0.992723 O\n0.704233 0.704203 0.500212 O\n0.230890 0.769110 0.067387 O\n0.771249 0.228751 0.922664 O\n0.271319 0.728681 0.573654 O\n0.729178 0.270822 0.426775 O\n0.750471 0.249529 0.078573 O\n0.243451 0.756549 0.919604 O\n0.739369 0.260631 0.579324 O\n0.260814 0.739186 0.421318 O\n0.748441 0.692401 0.161316 O\n0.698330 0.756749 0.842256 O\n0.197123 0.257497 0.656251 O\n0.258980 0.198321 0.345398 O\n0.243251 0.301670 0.842256 O\n0.307599 0.251559 0.161316 O\n0.801679 0.741020 0.345398 O\n0.742503 0.802877 0.656251 O\n0.771539 0.228461 0.223304 O\n0.237637 0.762363 0.774411 O\n0.738425 0.261575 0.725077 O\n0.258553 0.741447 0.275773 O\n",
"nsites": 40,
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"volume_molar": 6.949414692493855,
"formula_full": "Mg5 Mn3 Zn4 Si4 O24",
"formula_reduced": "Mg5Mn3Zn4(SiO6)4",
"formula_anonymous": "A3B4C4D5E24",
"energy": -278.53326428,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.323000Z",
"spacegroup": 8
},
{
"id": "mp-1234559",
"created_at": "2022-09-04T14:39:18.305744Z",
"structure_string": "Sm4 Mg1 Ti2 Mn2 O12\n1.0\n5.544821 -0.138829 -0.108205\n-0.146425 6.096760 0.113967\n-0.126107 0.151507 8.062223\nSm Mg Ti Mn O\n4 1 2 2 12\ndirect\n0.063167 0.875642 0.700534 Sm\n0.436073 0.419625 0.744965 Sm\n0.979090 0.095512 0.270475 Sm\n0.513072 0.572261 0.268344 Sm\n0.869574 0.225652 0.868234 Mg\n0.513681 0.003569 0.493281 Ti\n0.971326 0.594400 0.024870 Ti\n0.994936 0.493318 0.486929 Mn\n0.467151 0.977857 0.008031 Mn\n0.868268 0.527191 0.772080 O\n0.646289 0.049410 0.735236 O\n0.123947 0.469299 0.236602 O\n0.373004 0.953567 0.266320 O\n0.811266 0.816902 0.451724 O\n0.721042 0.329070 0.064530 O\n0.205685 0.188249 0.539751 O\n0.296106 0.670243 0.931766 O\n0.194248 0.154365 0.900126 O\n0.330795 0.682038 0.549643 O\n0.795055 0.823847 0.089053 O\n0.688721 0.296733 0.430835 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
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"Mg",
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"Mn",
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],
"chemical_system": "Mg-Mn-O-Sm-Ti",
"density": 6.242672724477058,
"density_atomic": 0.0771467200119513,
"volume": 272.20859158687176,
"volume_molar": 7.806087879130922,
"formula_full": "Sm4 Mg1 Ti2 Mn2 O12",
"formula_reduced": "Sm4MgTi2Mn2O12",
"formula_anonymous": "AB2C2D4E12",
"energy": -179.76460449,
"energy_per_atom": -8.560219261428571,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -168.18460449,
"band_gap": 0.3407999999999997,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.256000Z",
"spacegroup": 1
},
{
"id": "mp-1233996",
"created_at": "2022-09-04T14:40:17.840504Z",
"structure_string": "Sm4 Mg1 Ti2 Mn2 O12\n1.0\n5.567502 0.202294 -0.029444\n0.212237 6.158524 0.084559\n-0.036100 0.101515 7.811608\nSm Mg Ti Mn O\n4 1 2 2 12\ndirect\n0.048443 0.944741 0.737424 Sm\n0.445478 0.386389 0.729926 Sm\n0.947386 0.097179 0.243883 Sm\n0.493034 0.589614 0.234656 Sm\n0.580072 0.783151 0.831552 Mg\n0.506685 0.010589 0.476651 Ti\n0.988585 0.511511 0.995013 Ti\n0.961972 0.510616 0.493798 Mn\n0.472606 0.090803 0.069027 Mn\n0.845764 0.574835 0.756054 O\n0.641415 0.055647 0.724218 O\n0.108389 0.461039 0.232364 O\n0.326468 0.940294 0.268172 O\n0.802779 0.835406 0.433423 O\n0.688620 0.339747 0.048991 O\n0.195834 0.201064 0.550795 O\n0.289368 0.675127 0.936084 O\n0.172524 0.208067 0.926348 O\n0.355185 0.732180 0.589110 O\n0.765606 0.822263 0.051342 O\n0.663783 0.313071 0.429502 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
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"Mg",
"Ti",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O-Sm-Ti",
"density": 6.3537386812996255,
"density_atomic": 0.07851926902293087,
"volume": 267.4502738158086,
"volume_molar": 7.669634262949246,
"formula_full": "Sm4 Mg1 Ti2 Mn2 O12",
"formula_reduced": "Sm4MgTi2Mn2O12",
"formula_anonymous": "AB2C2D4E12",
"energy": -180.01684236,
"energy_per_atom": -8.57223058857143,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -168.43684236,
"band_gap": 0.2061999999999999,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:06.949000Z",
"spacegroup": 1
},
{
"id": "mp-1036309",
"created_at": "2022-09-04T14:46:17.339440Z",
"structure_string": "Mg14 Mn1 Sn1 O16\n1.0\n4.382169 0.000000 0.000000\n0.000000 8.715451 0.000000\n0.000000 0.000000 8.721317\nMg Mn Sn O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.757730 0.000000 Mg\n0.500000 0.242270 0.000000 Mg\n0.500000 0.751342 0.500000 Mg\n0.500000 0.248658 0.500000 Mg\n0.500000 0.000000 0.746289 Mg\n0.500000 0.500000 0.740418 Mg\n0.500000 0.000000 0.253711 Mg\n0.500000 0.500000 0.259582 Mg\n0.000000 0.753908 0.743422 Mg\n0.000000 0.246092 0.743422 Mg\n0.000000 0.753908 0.256578 Mg\n0.000000 0.246092 0.256578 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.738367 O\n0.000000 0.500000 0.727518 O\n0.000000 0.000000 0.261633 O\n0.000000 0.500000 0.272482 O\n0.500000 0.750455 0.750116 O\n0.500000 0.249545 0.750116 O\n0.500000 0.750455 0.249884 O\n0.500000 0.249545 0.249884 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.765295 0.000000 O\n0.000000 0.234705 0.000000 O\n0.000000 0.752838 0.500000 O\n0.000000 0.247162 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Sn",
"O"
],
"chemical_system": "Mg-Mn-O-Sn",
"density": 3.8381957535571765,
"density_atomic": 0.09607024939322324,
"volume": 333.08959019166724,
"volume_molar": 6.268476243202923,
"formula_full": "Mg14 Mn1 Sn1 O16",
"formula_reduced": "Mg14MnSnO16",
"formula_anonymous": "ABC14D16",
"energy": -203.7170373,
"energy_per_atom": -6.366157415625,
"energy_above_hull": null,
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"energy_uncorrected": -191.0570373,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.998681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.342000Z",
"spacegroup": 47
},
{
"id": "mp-1099241",
"created_at": "2022-09-04T14:45:56.738488Z",
"structure_string": "Mg6 Mn1 Sn1 O8\n1.0\n4.475355 0.000000 0.000000\n0.000000 4.475355 0.000000\n0.000000 0.000000 8.869063\nMg Mn Sn O\n6 1 1 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.263082 Mg\n0.000000 0.500000 0.736918 Mg\n0.500000 0.000000 0.263082 Mg\n0.500000 0.000000 0.736918 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.258970 O\n0.000000 0.000000 0.741030 O\n0.500000 0.500000 0.274261 O\n0.500000 0.500000 0.725739 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Sn",
"O"
],
"chemical_system": "Mg-Mn-O-Sn",
"density": 4.182957476608859,
"density_atomic": 0.09007147223182278,
"volume": 177.63671008751544,
"volume_molar": 6.685957951814562,
"formula_full": "Mg6 Mn1 Sn1 O8",
"formula_reduced": "Mg6MnSnO8",
"formula_anonymous": "ABC6D8",
"energy": -102.91243627,
"energy_per_atom": -6.432027266875,
"energy_above_hull": null,
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"energy_uncorrected": -95.74843627,
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"updated_at": "2021-11-28T01:37:13.549000Z",
"spacegroup": 123
},
{
"id": "mp-1031945",
"created_at": "2022-09-04T14:42:57.379455Z",
"structure_string": "Mg6 Mn1 Sn1 O8\n1.0\n8.878607 0.000000 0.000000\n0.000000 4.477825 0.000000\n0.000000 0.000000 4.477825\nMg Mn Sn O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.239994 0.000000 0.500000 Mg\n0.760006 0.000000 0.500000 Mg\n0.239994 0.500000 0.000000 Mg\n0.760006 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Sn\n0.234174 0.000000 0.000000 O\n0.765826 0.000000 0.000000 O\n0.248413 0.500000 0.500000 O\n0.751587 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Mg-Mn-O-Sn",
"density": 4.173852568026668,
"density_atomic": 0.08987541656424305,
"volume": 178.02420964094426,
"volume_molar": 6.70054280715947,
"formula_full": "Mg6 Mn1 Sn1 O8",
"formula_reduced": "Mg6MnSnO8",
"formula_anonymous": "ABC6D8",
"energy": -102.59192969,
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"updated_at": "2021-11-28T01:35:57.172000Z",
"spacegroup": 123
},
{
"id": "mp-1036224",
"created_at": "2022-09-04T14:40:20.987255Z",
"structure_string": "Mg14 Mn1 Sn1 O16\n1.0\n8.703603 0.000000 0.000000\n0.000000 8.703603 0.000000\n0.000000 0.000000 4.381178\nMg Mn Sn O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250790 0.000000 0.500000 Mg\n0.749210 0.000000 0.500000 Mg\n0.240964 0.500000 0.500000 Mg\n0.759036 0.500000 0.500000 Mg\n0.000000 0.250790 0.500000 Mg\n0.500000 0.240964 0.500000 Mg\n0.000000 0.749210 0.500000 Mg\n0.500000 0.759036 0.500000 Mg\n0.246411 0.246411 0.000000 Mg\n0.753589 0.246411 0.000000 Mg\n0.246411 0.753589 0.000000 Mg\n0.753589 0.753589 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.253404 0.000000 O\n0.500000 0.228907 0.000000 O\n0.000000 0.746596 0.000000 O\n0.500000 0.771093 0.000000 O\n0.249935 0.249935 0.500000 O\n0.750065 0.249935 0.500000 O\n0.249935 0.750065 0.500000 O\n0.750065 0.750065 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\n0.253404 0.000000 0.000000 O\n0.746596 0.000000 0.000000 O\n0.228907 0.500000 0.000000 O\n0.771093 0.500000 0.000000 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "Mg-Mn-O-Sn",
"density": 3.8521140443585242,
"density_atomic": 0.09641862497234104,
"volume": 331.8860853821513,
"volume_molar": 6.245827257677168,
"formula_full": "Mg14 Mn1 Sn1 O16",
"formula_reduced": "Mg14MnSnO16",
"formula_anonymous": "ABC14D16",
"energy": -203.85184298,
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"updated_at": "2021-11-28T01:35:01.427000Z",
"spacegroup": 123
},
{
"id": "mp-1038154",
"created_at": "2022-09-04T14:46:25.380911Z",
"structure_string": "Mg30 Mn1 Sn1 O32\n1.0\n8.614596 0.000000 0.000000\n0.000000 8.614596 0.000000\n0.000000 0.000000 8.610217\nMg Mn Sn O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246380 0.246380 0.000000 Mg\n0.753620 0.246380 0.000000 Mg\n0.246380 0.753620 0.000000 Mg\n0.753620 0.753620 0.000000 Mg\n0.249390 0.249390 0.500000 Mg\n0.750610 0.249390 0.500000 Mg\n0.249390 0.750610 0.500000 Mg\n0.750610 0.750610 0.500000 Mg\n0.250318 0.000000 0.251103 Mg\n0.749682 0.000000 0.251103 Mg\n0.245484 0.500000 0.254142 Mg\n0.754516 0.500000 0.254142 Mg\n0.250318 0.000000 0.748897 Mg\n0.749682 0.000000 0.748897 Mg\n0.245484 0.500000 0.745858 Mg\n0.754516 0.500000 0.745858 Mg\n0.000000 0.250318 0.251103 Mg\n0.500000 0.245484 0.254142 Mg\n0.000000 0.749682 0.251103 Mg\n0.500000 0.754516 0.254142 Mg\n0.000000 0.250318 0.748897 Mg\n0.500000 0.245484 0.745858 Mg\n0.000000 0.749682 0.748897 Mg\n0.500000 0.754516 0.745858 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.255913 O\n0.500000 0.000000 0.253621 O\n0.000000 0.500000 0.253621 O\n0.500000 0.500000 0.270073 O\n0.000000 0.000000 0.744087 O\n0.500000 0.000000 0.746379 O\n0.000000 0.500000 0.746379 O\n0.500000 0.500000 0.729927 O\n0.250100 0.250100 0.249246 O\n0.749900 0.250100 0.249246 O\n0.250100 0.749900 0.249246 O\n0.749900 0.749900 0.249246 O\n0.250100 0.250100 0.750754 O\n0.749900 0.250100 0.750754 O\n0.250100 0.749900 0.750754 O\n0.749900 0.749900 0.750754 O\n0.253253 0.000000 0.000000 O\n0.746747 0.000000 0.000000 O\n0.230325 0.500000 0.000000 O\n0.769675 0.500000 0.000000 O\n0.249269 0.000000 0.500000 O\n0.750731 0.000000 0.500000 O\n0.246809 0.500000 0.500000 O\n0.753191 0.500000 0.500000 O\n0.000000 0.253253 0.000000 O\n0.500000 0.230325 0.000000 O\n0.000000 0.746747 0.000000 O\n0.500000 0.769675 0.000000 O\n0.000000 0.249269 0.500000 O\n0.500000 0.246809 0.500000 O\n0.000000 0.750731 0.500000 O\n0.500000 0.753191 0.500000 O\n",
"nsites": 64,
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"elements": [
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],
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"density": 3.676662178611206,
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"volume": 638.9750889784307,
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"formula_full": "Mg30 Mn1 Sn1 O32",
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"formula_anonymous": "ABC30D32",
"energy": -406.53367692,
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"spacegroup": 123
},
{
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