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{
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"results": [
{
"id": "mp-1037466",
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"formula_full": "Mg30 Nb1 Zn1 O32",
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"updated_at": "2021-11-28T01:38:12.773000Z",
"spacegroup": 123
},
{
"id": "mp-1017173",
"created_at": "2022-09-04T14:40:22.726435Z",
"structure_string": "Rb1 Mg6 Nb1\n1.0\n6.781595 0.000000 0.000000\n0.000000 6.781595 0.000000\n0.000000 0.000000 4.492134\nRb Mg Nb\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.714313 0.285687 0.000000 Mg\n0.285687 0.714313 0.000000 Mg\n0.714313 0.714313 0.000000 Mg\n0.285687 0.285687 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 8,
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"density": 2.6058613516473703,
"density_atomic": 0.038723409096298365,
"volume": 206.59338076628003,
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"formula_full": "Rb1 Mg6 Nb1",
"formula_reduced": "RbMg6Nb",
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"updated_at": "2021-11-28T01:34:47.359000Z",
"spacegroup": 123
},
{
"id": "mp-1026662",
"created_at": "2022-09-04T14:41:35.509804Z",
"structure_string": "Rb1 Mg14 Nb1\n1.0\n6.503983 -0.105352 0.000000\n-3.343229 5.790642 0.000000\n0.000000 0.000000 10.368126\nRb Mg Nb\n1 14 1\ndirect\n0.160160 0.330080 0.125000 Rb\n0.171258 0.335628 0.625000 Mg\n0.166374 0.833186 0.625000 Mg\n0.663418 0.331868 0.125000 Mg\n0.667847 0.339010 0.625000 Mg\n0.663418 0.831550 0.125000 Mg\n0.667847 0.828836 0.625000 Mg\n0.331616 0.148995 0.380920 Mg\n0.331616 0.148995 0.869080 Mg\n0.331616 0.682622 0.380920 Mg\n0.331616 0.682622 0.869080 Mg\n0.817545 0.158773 0.390611 Mg\n0.817545 0.158773 0.859389 Mg\n0.843268 0.671635 0.365677 Mg\n0.843268 0.671635 0.884323 Mg\n0.191588 0.845793 0.125000 Nb\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.226346941510265,
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"formula_full": "Rb1 Mg14 Nb1",
"formula_reduced": "RbMg14Nb",
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"spacegroup": 38
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{
"id": "mp-1017199",
"created_at": "2022-09-04T14:40:33.730225Z",
"structure_string": "Rb1 Mg6 Nb1\n1.0\n3.356652 -5.658787 0.000000\n3.356652 5.658787 0.000000\n0.000000 0.000000 5.158586\nRb Mg Nb\n1 6 1\ndirect\n0.913126 0.086874 0.000000 Rb\n0.881407 0.571655 0.000000 Mg\n0.428345 0.118593 0.000000 Mg\n0.425511 0.574489 0.000000 Mg\n0.567219 0.896826 0.500000 Mg\n0.103174 0.432781 0.500000 Mg\n0.098541 0.901459 0.500000 Mg\n0.582677 0.417323 0.500000 Nb\n",
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"elements": [
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"density": 2.7471183584862295,
"density_atomic": 0.04082250499028435,
"volume": 195.97033552703292,
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"formula_full": "Rb1 Mg6 Nb1",
"formula_reduced": "RbMg6Nb",
"formula_anonymous": "ABC6",
"energy": -17.6769921,
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"updated_at": "2021-11-28T01:34:55.719000Z",
"spacegroup": 38
},
{
"id": "mp-1026615",
"created_at": "2022-09-04T14:40:11.544224Z",
"structure_string": "Rb1 Mg14 Nb1\n1.0\n6.560644 0.000000 -0.000000\n-3.280322 5.681684 0.000000\n0.000000 -0.000000 10.363225\nRb Mg Nb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Rb\n0.175866 0.837932 0.125000 Mg\n0.162741 0.831370 0.625000 Mg\n0.662068 0.324134 0.125000 Mg\n0.668630 0.337259 0.625000 Mg\n0.662068 0.837932 0.125000 Mg\n0.668630 0.831370 0.625000 Mg\n0.334806 0.165194 0.395404 Mg\n0.334806 0.165194 0.854596 Mg\n0.334806 0.669614 0.395404 Mg\n0.334806 0.669614 0.854596 Mg\n0.830386 0.165194 0.395404 Mg\n0.830386 0.165194 0.854596 Mg\n0.833333 0.666667 0.370027 Mg\n0.833333 0.666667 0.879973 Mg\n0.166667 0.333333 0.625000 Nb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Nb-Rb",
"density": 2.2294622894339793,
"density_atomic": 0.041419181006054885,
"volume": 386.294456127972,
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"spacegroup": 187
},
{
"id": "mp-977555",
"created_at": "2022-09-04T14:46:26.219136Z",
"structure_string": "Mg1 Nb1 Rh2\n1.0\n0.000000 3.158793 3.158793\n3.158793 0.000000 3.158793\n3.158793 3.158793 0.000000\nMg Nb Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.509189855489728,
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"updated_at": "2021-11-28T01:37:34.072000Z",
"spacegroup": 225
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{
"id": "mp-977430",
"created_at": "2022-09-04T14:47:09.567176Z",
"structure_string": "Mg1 Nb1 Ru2\n1.0\n0.000000 3.142042 3.142042\n3.142042 0.000000 3.142042\n3.142042 3.142042 0.000000\nMg Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
"id": "mp-1026542",
"created_at": "2022-09-04T14:40:38.077895Z",
"structure_string": "Mg14 Nb1 Sb1\n1.0\n6.333650 0.057080 0.000000\n-3.117392 5.399481 0.000000\n0.000000 0.000000 10.278473\nMg Nb Sb\n14 1 1\ndirect\n0.166309 0.333154 0.625000 Mg\n0.166808 0.833403 0.625000 Mg\n0.667828 0.332325 0.125000 Mg\n0.665860 0.332598 0.625000 Mg\n0.667828 0.835502 0.125000 Mg\n0.665860 0.833261 0.625000 Mg\n0.331996 0.171079 0.373034 Mg\n0.331996 0.171079 0.876966 Mg\n0.331996 0.660917 0.373034 Mg\n0.331996 0.660917 0.876966 Mg\n0.839735 0.169868 0.372282 Mg\n0.839735 0.169868 0.877718 Mg\n0.831031 0.665516 0.377574 Mg\n0.831031 0.665516 0.872426 Mg\n0.169690 0.334845 0.125000 Nb\n0.160303 0.830151 0.125000 Sb\n",
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"elements": [
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{
"id": "mp-1016588",
"created_at": "2022-09-04T14:40:32.858369Z",
"structure_string": "Mg12 Nb2 Sb2\n1.0\n5.271452 0.000000 0.000000\n0.000000 5.962062 0.000000\n0.000000 0.000000 10.966303\nMg Nb Sb\n12 2 2\ndirect\n0.500000 0.748138 0.917550 Mg\n0.500000 0.251862 0.917550 Mg\n0.000000 0.260534 0.582930 Mg\n0.000000 0.739466 0.582930 Mg\n0.000000 0.500000 0.826883 Mg\n0.000000 0.000000 0.835413 Mg\n0.500000 0.248138 0.417550 Mg\n0.500000 0.751862 0.417550 Mg\n0.000000 0.760534 0.082930 Mg\n0.000000 0.239466 0.082930 Mg\n0.000000 0.000000 0.326883 Mg\n0.000000 0.500000 0.335413 Mg\n0.500000 0.500000 0.668539 Nb\n0.500000 0.000000 0.168539 Nb\n0.500000 0.000000 0.668201 Sb\n0.500000 0.500000 0.168201 Sb\n",
"nsites": 16,
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"elements": [
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"formula_full": "Mg12 Nb2 Sb2",
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{
"id": "mp-1016592",
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"structure_string": "Mg12 Nb2 Sb2\n1.0\n5.044064 0.000000 0.000000\n0.000000 6.346979 0.000000\n0.000000 0.000000 10.687686\nMg Nb Sb\n12 2 2\ndirect\n0.000000 0.244439 0.081285 Mg\n0.000000 0.755561 0.081285 Mg\n0.000000 0.500000 0.834698 Mg\n0.500000 0.244838 0.915657 Mg\n0.500000 0.755162 0.915657 Mg\n0.500000 0.500000 0.666343 Mg\n0.000000 0.744439 0.581285 Mg\n0.000000 0.255561 0.581285 Mg\n0.000000 0.000000 0.334698 Mg\n0.500000 0.744838 0.415657 Mg\n0.500000 0.255162 0.415657 Mg\n0.500000 0.000000 0.166343 Mg\n0.000000 0.500000 0.332229 Nb\n0.000000 0.000000 0.832229 Nb\n0.500000 0.500000 0.172847 Sb\n0.500000 0.000000 0.672847 Sb\n",
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{
"id": "mp-1026520",
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"structure_string": "Mg14 Nb1 Sb1\n1.0\n6.335078 0.000000 0.000000\n-3.167539 5.486337 0.000000\n-0.000000 0.000000 10.191107\nMg Nb Sb\n14 1 1\ndirect\n0.168165 0.834082 0.125000 Mg\n0.165442 0.832720 0.625000 Mg\n0.665918 0.331835 0.125000 Mg\n0.667280 0.334558 0.625000 Mg\n0.665918 0.834082 0.125000 Mg\n0.667280 0.832720 0.625000 Mg\n0.329624 0.170376 0.368993 Mg\n0.329624 0.170376 0.881007 Mg\n0.329624 0.659248 0.368993 Mg\n0.329624 0.659248 0.881007 Mg\n0.840752 0.170376 0.368993 Mg\n0.840752 0.170376 0.881007 Mg\n0.833333 0.666667 0.372060 Mg\n0.833333 0.666667 0.877940 Mg\n0.166667 0.333333 0.125000 Nb\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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"total_magnetization": 0.0004908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.966000Z",
"spacegroup": 187
},
{
"id": "mp-1017451",
"created_at": "2022-09-04T14:42:59.093179Z",
"structure_string": "Mg12 Nb2 Si2\n1.0\n4.817293 0.000000 0.000000\n0.000000 6.250935 0.000000\n0.000000 0.000000 10.613758\nMg Nb Si\n12 2 2\ndirect\n0.000000 0.254365 0.086318 Mg\n0.000000 0.745635 0.086318 Mg\n0.000000 0.500000 0.833751 Mg\n0.500000 0.247043 0.919258 Mg\n0.500000 0.752957 0.919258 Mg\n0.500000 0.500000 0.667806 Mg\n0.000000 0.754365 0.586318 Mg\n0.000000 0.245635 0.586318 Mg\n0.000000 0.000000 0.333751 Mg\n0.500000 0.747043 0.419258 Mg\n0.500000 0.252957 0.419258 Mg\n0.500000 0.000000 0.167806 Mg\n0.500000 0.500000 0.179255 Nb\n0.500000 0.000000 0.679255 Nb\n0.000000 0.500000 0.308036 Si\n0.000000 0.000000 0.808036 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Si"
],
"chemical_system": "Mg-Nb-Si",
"density": 2.7725750245640617,
"density_atomic": 0.05006137299191597,
"volume": 319.60769439111704,
"volume_molar": 12.029515772514808,
"formula_full": "Mg12 Nb2 Si2",
"formula_reduced": "Mg6NbSi",
"formula_anonymous": "ABC6",
"energy": -48.26505374,
"energy_per_atom": -3.01656585875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.40705374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.038000Z",
"spacegroup": 38
}
]
}