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"results": [
{
"id": "mp-1245806",
"created_at": "2022-09-04T14:42:50.000584Z",
"structure_string": "Mn2 Ga2 N4\n1.0\n-1.291448 2.617759 0.000000\n0.000000 0.000000 -5.276430\n-4.986144 -2.459869 0.000000\nMn Ga N\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.250000 0.091372 Ga\n0.000000 0.750000 0.908628 Ga\n0.000000 0.250000 0.760134 N\n0.000000 0.750000 0.239866 N\n0.500000 0.250000 0.334748 N\n0.500000 0.750000 0.665252 N\n",
"nsites": 8,
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"elements": [
"Mn",
"Ga",
"N"
],
"chemical_system": "Ga-Mn-N",
"density": 5.921136043079438,
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"volume": 85.6328510439434,
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"formula_full": "Mn2 Ga2 N4",
"formula_reduced": "MnGaN2",
"formula_anonymous": "ABC2",
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{
"id": "mp-764063",
"created_at": "2022-09-04T14:42:50.008393Z",
"structure_string": "Li4 Co2 O4 F2\n1.0\n1.416017 -2.452613 0.000000\n1.416017 2.452613 0.000000\n0.000000 0.000000 14.109223\nLi Co O F\n4 2 4 2\ndirect\n0.666667 0.333333 0.333798 Li\n0.333333 0.666667 0.666202 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.833098 Co\n0.333333 0.666667 0.166902 Co\n0.666667 0.333333 0.093837 O\n0.333333 0.666667 0.906163 O\n0.000000 0.000000 0.240003 O\n0.000000 0.000000 0.759997 O\n0.666667 0.333333 0.583140 F\n0.333333 0.666667 0.416860 F\n",
"nsites": 12,
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"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.1957793615854815,
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"volume": 98.00101789091507,
"volume_molar": 4.91813270301974,
"formula_full": "Li4 Co2 O4 F2",
"formula_reduced": "Li2CoO2F",
"formula_anonymous": "ABC2D2",
"energy": -72.11832092,
"energy_per_atom": -6.0098600766666666,
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"updated_at": "2021-11-28T01:35:51.669000Z",
"spacegroup": 164
},
{
"id": "mp-1246717",
"created_at": "2022-09-04T14:42:50.014844Z",
"structure_string": "Ca6 Mn4 N8\n1.0\n6.739198 0.025307 -0.067508\n-5.094508 6.510167 0.000000\n-0.144740 -0.113266 5.324457\nCa Mn N\n6 4 8\ndirect\n0.239649 0.985293 0.043262 Ca\n0.760351 0.745644 0.456738 Ca\n0.760351 0.014707 0.956738 Ca\n0.239649 0.254356 0.543262 Ca\n0.000000 0.598048 0.750000 Ca\n0.000000 0.401952 0.250000 Ca\n0.587696 0.168157 0.581881 Mn\n0.412304 0.580460 0.918119 Mn\n0.412304 0.831843 0.418119 Mn\n0.587696 0.419540 0.081881 Mn\n0.242379 0.942022 0.523930 N\n0.757621 0.699643 0.976070 N\n0.757621 0.057978 0.476070 N\n0.242379 0.300357 0.023930 N\n0.664813 0.267365 0.910859 N\n0.335187 0.602550 0.589141 N\n0.335187 0.732635 0.089141 N\n0.664813 0.397450 0.410859 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"N"
],
"chemical_system": "Ca-Mn-N",
"density": 4.05782290767725,
"density_atomic": 0.07686217133298241,
"volume": 234.18542161683638,
"volume_molar": 7.834986516202975,
"formula_full": "Ca6 Mn4 N8",
"formula_reduced": "Ca3(MnN2)2",
"formula_anonymous": "A2B3C4",
"energy": -130.6017703,
"energy_per_atom": -7.255653905555556,
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"updated_at": "2021-11-28T01:35:52.684000Z",
"spacegroup": 15
},
{
"id": "mp-28878",
"created_at": "2022-09-04T14:42:50.021746Z",
"structure_string": "Rb2 Te12\n1.0\n3.699581 6.125884 0.000000\n-3.699581 6.125884 0.000000\n0.000000 4.752234 11.736075\nRb Te\n2 12\ndirect\n0.626298 0.373702 0.750000 Rb\n0.373702 0.626298 0.250000 Rb\n0.235748 0.200541 0.646014 Te\n0.799459 0.764252 0.853986 Te\n0.763285 0.869708 0.591615 Te\n0.130292 0.236715 0.908385 Te\n0.236715 0.130292 0.408385 Te\n0.869708 0.763285 0.091615 Te\n0.220274 0.623364 0.557417 Te\n0.376636 0.779726 0.942583 Te\n0.779726 0.376636 0.442583 Te\n0.623364 0.220274 0.057417 Te\n0.200541 0.235748 0.146014 Te\n0.764252 0.799459 0.353986 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Rb",
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],
"chemical_system": "Rb-Te",
"density": 5.3133579144320215,
"density_atomic": 0.026318058909077745,
"volume": 531.9541250502732,
"volume_molar": 22.88216156368134,
"formula_full": "Rb2 Te12",
"formula_reduced": "RbTe6",
"formula_anonymous": "AB6",
"energy": -48.41127744,
"energy_per_atom": -3.4579483885714284,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 1.43e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.889000Z",
"spacegroup": 15
},
{
"id": "mp-1289284",
"created_at": "2022-09-04T14:42:50.068749Z",
"structure_string": "Li6 Mn8 O16\n1.0\n-0.052518 4.244570 4.150061\n4.149491 -4.244342 -0.052517\n8.713709 4.614186 -4.617151\nLi Mn O\n6 8 16\ndirect\n0.250098 0.000287 0.250027 Li\n0.749806 0.999637 0.750065 Li\n0.334861 0.127102 0.038085 Li\n0.835064 0.127294 0.537176 Li\n0.164876 0.872952 0.461961 Li\n0.664468 0.872448 0.962863 Li\n0.000623 0.501086 0.998466 Mn\n0.499090 0.498760 0.501462 Mn\n0.249872 0.999768 0.750029 Mn\n0.250048 0.500034 0.749953 Mn\n0.749759 0.499551 0.750020 Mn\n0.750488 0.000477 0.249881 Mn\n0.750232 0.500126 0.250066 Mn\n0.250163 0.500434 0.250017 Mn\n0.898583 0.247969 0.353907 O\n0.398181 0.247575 0.853711 O\n0.601897 0.752544 0.146162 O\n0.101605 0.751891 0.646231 O\n0.109660 0.246519 0.144537 O\n0.609337 0.245064 0.645173 O\n0.636756 0.237688 0.148046 O\n0.135629 0.236246 0.648731 O\n0.114680 0.715632 0.148047 O\n0.614691 0.715278 0.648670 O\n0.385693 0.284829 0.351985 O\n0.885192 0.284383 0.851273 O\n0.863468 0.762579 0.351985 O\n0.364089 0.763303 0.851274 O\n0.390751 0.754165 0.355495 O\n0.890338 0.754379 0.854704 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.932294664165872,
"density_atomic": 0.09637575319639385,
"volume": 311.28161394356323,
"volume_molar": 6.248605650560387,
"formula_full": "Li6 Mn8 O16",
"formula_reduced": "Li3Mn4O8",
"formula_anonymous": "A3B4C8",
"energy": -226.03018604,
"energy_per_atom": -7.534339534666667,
"energy_above_hull": null,
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"energy_uncorrected": -201.69418604,
"band_gap": 0.4203000000000001,
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"updated_at": "2021-11-28T01:35:52.174000Z",
"spacegroup": 12
},
{
"id": "mp-1245511",
"created_at": "2022-09-04T14:42:50.075414Z",
"structure_string": "Sr6 Fe4 N8\n1.0\n7.067760 0.068903 -0.167329\n-5.301766 6.775016 0.000000\n-0.224533 -0.175708 5.496528\nSr Fe N\n6 4 8\ndirect\n0.250990 0.990969 0.055923 Sr\n0.749010 0.739979 0.444077 Sr\n0.749010 0.009031 0.944077 Sr\n0.250990 0.260021 0.555923 Sr\n0.000000 0.596438 0.750000 Sr\n0.000000 0.403562 0.250000 Sr\n0.580245 0.163457 0.572338 Fe\n0.419755 0.583212 0.927662 Fe\n0.419755 0.836543 0.427662 Fe\n0.580245 0.416788 0.072338 Fe\n0.254916 0.938350 0.528893 N\n0.745084 0.683433 0.971107 N\n0.745084 0.061650 0.471107 N\n0.254916 0.316567 0.028893 N\n0.644043 0.269082 0.888881 N\n0.355957 0.625039 0.611119 N\n0.355957 0.730918 0.111119 N\n0.644043 0.374961 0.388881 N\n",
"nsites": 18,
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"elements": [
"Sr",
"Fe",
"N"
],
"chemical_system": "Fe-N-Sr",
"density": 5.400340248658562,
"density_atomic": 0.0679772998138744,
"volume": 264.79427763804966,
"volume_molar": 8.859046735438085,
"formula_full": "Sr6 Fe4 N8",
"formula_reduced": "Sr3(FeN2)2",
"formula_anonymous": "A2B3C4",
"energy": -121.03201856,
"energy_per_atom": -6.724001031111111,
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"energy_uncorrected": -118.14401856,
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"updated_at": "2021-11-28T01:35:49.611000Z",
"spacegroup": 15
},
{
"id": "mp-1026437",
"created_at": "2022-09-04T14:42:50.086892Z",
"structure_string": "Mg14 Cd1 Sb1\n1.0\n6.377373 -0.000000 0.000000\n-3.188686 5.522966 -0.000000\n-0.000000 -0.000000 10.358650\nMg Cd Sb\n14 1 1\ndirect\n0.166497 0.833248 0.125000 Mg\n0.165665 0.832832 0.625000 Mg\n0.666752 0.333503 0.125000 Mg\n0.667168 0.334335 0.625000 Mg\n0.666752 0.833248 0.125000 Mg\n0.667168 0.832832 0.625000 Mg\n0.335191 0.164809 0.371234 Mg\n0.335191 0.164809 0.878766 Mg\n0.335191 0.670383 0.371234 Mg\n0.335191 0.670383 0.878766 Mg\n0.829617 0.164809 0.371234 Mg\n0.829617 0.164809 0.878766 Mg\n0.833333 0.666667 0.374808 Mg\n0.833333 0.666667 0.875193 Mg\n0.166667 0.333333 0.125000 Cd\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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"elements": [
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"Cd",
"Sb"
],
"chemical_system": "Cd-Mg-Sb",
"density": 2.6144309691611545,
"density_atomic": 0.04385333584206599,
"volume": 364.8525178933393,
"volume_molar": 13.732457621213177,
"formula_full": "Mg14 Cd1 Sb1",
"formula_reduced": "Mg14CdSb",
"formula_anonymous": "ABC14",
"energy": -28.36165712,
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"updated_at": "2021-11-28T01:35:51.681000Z",
"spacegroup": 187
},
{
"id": "mp-1235761",
"created_at": "2022-09-04T14:42:50.088394Z",
"structure_string": "Li1 Te4 H4 O6 F8\n1.0\n5.036578 0.000847 0.111124\n2.521608 5.737844 0.072109\n2.762727 0.045210 11.649664\nLi Te H O F\n1 4 4 6 8\ndirect\n0.485690 0.876744 0.319544 Li\n0.792391 0.226903 0.876875 Te\n0.914650 0.765586 0.081969 Te\n0.481785 0.699382 0.610738 Te\n0.747186 0.275458 0.398629 Te\n0.221757 0.222517 0.722334 H\n0.986054 0.825813 0.337921 H\n0.694339 0.740317 0.770535 H\n0.127189 0.219051 0.217008 H\n0.802246 0.513417 0.491958 O\n0.951606 0.044701 0.008166 O\n0.675068 0.607393 0.738888 O\n0.969861 0.361652 0.257412 O\n0.133270 0.104276 0.749964 O\n0.833677 0.956929 0.307415 O\n0.418198 0.593107 0.351597 F\n0.405572 0.401513 0.660619 F\n0.458522 0.971179 0.162706 F\n0.745776 0.930380 0.846010 F\n0.153882 0.075323 0.430108 F\n0.682874 0.923318 0.574077 F\n0.354856 0.593103 0.021970 F\n0.005384 0.408745 0.910778 F\n",
"nsites": 23,
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"elements": [
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"Te",
"H",
"O",
"F"
],
"chemical_system": "F-H-Li-O-Te",
"density": 3.8149971656540385,
"density_atomic": 0.06868238939404081,
"volume": 334.87477944376207,
"volume_molar": 8.768100255583867,
"formula_full": "Li1 Te4 H4 O6 F8",
"formula_reduced": "LiTe4H4(O3F4)2",
"formula_anonymous": "AB4C4D6E8",
"energy": -115.98922611,
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"updated_at": "2021-11-28T01:35:51.032000Z",
"spacegroup": 1
},
{
"id": "mp-1353483",
"created_at": "2022-09-04T14:42:50.103796Z",
"structure_string": "Zn4 Fe8 P8 O32\n1.0\n2.520949 8.239772 0.000000\n-2.520949 8.239772 0.000000\n0.000000 8.223893 14.942033\nZn Fe P O\n4 8 8 32\ndirect\n0.457035 0.859230 0.605970 Zn\n0.140770 0.542965 0.394030 Zn\n0.861707 0.453680 0.107809 Zn\n0.546320 0.138293 0.892191 Zn\n0.212029 0.599896 0.716861 Fe\n0.400104 0.787971 0.283139 Fe\n0.789020 0.395591 0.783780 Fe\n0.495735 0.995895 0.752196 Fe\n0.604409 0.210980 0.216220 Fe\n0.551983 0.448017 0.000000 Fe\n0.450959 0.549041 0.500000 Fe\n0.004105 0.504265 0.247804 Fe\n0.071453 0.500632 0.610294 P\n0.773495 0.178132 0.365515 P\n0.929702 0.493854 0.891257 P\n0.179971 0.772261 0.866199 P\n0.506146 0.070298 0.108743 P\n0.499368 0.928547 0.389706 P\n0.227739 0.820029 0.133801 P\n0.821868 0.226505 0.634485 P\n0.705940 0.816875 0.854354 O\n0.718903 0.443608 0.669111 O\n0.821709 0.702262 0.354409 O\n0.810923 0.350159 0.306695 O\n0.196979 0.339693 0.817094 O\n0.662735 0.211799 0.463703 O\n0.649841 0.189077 0.693305 O\n0.864975 0.065336 0.853318 O\n0.187798 0.646840 0.192259 O\n0.556392 0.281097 0.330889 O\n0.828326 0.400070 0.896281 O\n0.578236 0.001847 0.020883 O\n0.282938 0.554191 0.830709 O\n0.066825 0.862634 0.353086 O\n0.297738 0.178291 0.645591 O\n0.174978 0.592740 0.604672 O\n0.000188 0.577907 0.522640 O\n0.353160 0.812202 0.807741 O\n0.407260 0.825022 0.395328 O\n0.422093 0.999812 0.477360 O\n0.934664 0.135025 0.146682 O\n0.345889 0.190974 0.314865 O\n0.137366 0.933175 0.646914 O\n0.213358 0.660861 0.964373 O\n0.445809 0.717062 0.169291 O\n0.183125 0.294060 0.145646 O\n0.998153 0.421764 0.979117 O\n0.660307 0.803021 0.182906 O\n0.809026 0.654111 0.685135 O\n0.788201 0.337265 0.536297 O\n0.339139 0.786642 0.035627 O\n0.599930 0.171674 0.103719 O\n",
"nsites": 52,
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"elements": [
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"P",
"O"
],
"chemical_system": "Fe-O-P-Zn",
"density": 3.927404049541451,
"density_atomic": 0.08376920663297084,
"volume": 620.753163245708,
"volume_molar": 7.18896716592483,
"formula_full": "Zn4 Fe8 P8 O32",
"formula_reduced": "ZnFe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -392.28919343,
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"spacegroup": 5
},
{
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{
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{
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}