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{
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{
"id": "mp-1018176",
"created_at": "2022-09-04T14:42:20.621269Z",
"structure_string": "Gd1 Fe1 C2\n1.0\n2.276582 -2.967856 0.000000\n2.276582 2.967856 0.000000\n0.000000 0.000000 3.701646\nGd Fe C\n1 1 2\ndirect\n0.002848 0.997152 0.000000 Gd\n0.613518 0.386482 0.500000 Fe\n0.453295 0.854661 0.500000 C\n0.145339 0.546705 0.500000 C\n",
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"C"
],
"chemical_system": "C-Fe-Gd",
"density": 7.871539662945116,
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"volume": 50.02084247698944,
"volume_molar": 7.530813858255437,
"formula_full": "Gd1 Fe1 C2",
"formula_reduced": "GdFeC2",
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{
"id": "mp-759517",
"created_at": "2022-09-04T14:42:20.628904Z",
"structure_string": "V3 Fe1 Cu2 P6 O24\n1.0\n7.409267 -4.294307 0.000000\n7.409267 4.294307 0.000000\n4.920346 0.000000 7.009172\nV Fe Cu P O\n3 1 2 6 24\ndirect\n0.642894 0.642894 0.642894 V\n0.857741 0.857741 0.857741 V\n0.357329 0.357329 0.357329 V\n0.142906 0.142906 0.142906 Fe\n0.001296 0.001296 0.001296 Cu\n0.500411 0.500411 0.500411 Cu\n0.540369 0.959008 0.249801 P\n0.249801 0.540369 0.959008 P\n0.959008 0.249801 0.540369 P\n0.039957 0.750117 0.458820 P\n0.750117 0.458820 0.039957 P\n0.458820 0.039957 0.750117 P\n0.305006 0.504546 0.123347 O\n0.123347 0.305006 0.504546 O\n0.504546 0.123347 0.305006 O\n0.735417 0.942524 0.082924 O\n0.380900 0.990422 0.196501 O\n0.561653 0.765497 0.417630 O\n0.082924 0.735417 0.942524 O\n0.417630 0.561653 0.765497 O\n0.004201 0.805568 0.622774 O\n0.765497 0.417630 0.561653 O\n0.053448 0.913277 0.266772 O\n0.805568 0.622774 0.004201 O\n0.196501 0.380900 0.990422 O\n0.942524 0.082924 0.735417 O\n0.233325 0.581585 0.444528 O\n0.990422 0.196501 0.380900 O\n0.581585 0.444528 0.233325 O\n0.913277 0.266772 0.053448 O\n0.444528 0.233325 0.581585 O\n0.622774 0.004201 0.805568 O\n0.266772 0.053448 0.913277 O\n0.499901 0.877668 0.689935 O\n0.877668 0.689935 0.499901 O\n0.689935 0.499901 0.877668 O\n",
"nsites": 36,
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"elements": [
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"Fe",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Fe-O-P-V",
"density": 3.3714405895137527,
"density_atomic": 0.0807118781758413,
"volume": 446.0310032876366,
"volume_molar": 7.461281903117142,
"formula_full": "V3 Fe1 Cu2 P6 O24",
"formula_reduced": "V3FeCu2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -281.19491533,
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"updated_at": "2021-11-28T01:35:47.733000Z",
"spacegroup": 146
},
{
"id": "mp-1217541",
"created_at": "2022-09-04T14:42:20.630445Z",
"structure_string": "Tb2 Sb2 Pd2\n1.0\n-2.255632 -5.655532 0.484113\n-4.511262 0.000000 0.000000\n0.000000 0.963678 -5.600389\nTb Sb Pd\n2 2 2\ndirect\n0.748469 0.625765 0.203123 Tb\n0.251531 0.374235 0.796877 Tb\n0.830734 0.084633 0.706642 Sb\n0.169266 0.915367 0.293358 Sb\n0.418716 0.290642 0.311279 Pd\n0.581284 0.709358 0.688721 Pd\n",
"nsites": 6,
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"elements": [
"Tb",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Tb",
"density": 9.131940309819921,
"density_atomic": 0.042619274037409914,
"volume": 140.78137498854113,
"volume_molar": 14.130087609455632,
"formula_full": "Tb2 Sb2 Pd2",
"formula_reduced": "TbSbPd",
"formula_anonymous": "ABC",
"energy": -32.90441352,
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"updated_at": "2021-11-28T01:35:42.587000Z",
"spacegroup": 12
},
{
"id": "mp-1094790",
"created_at": "2022-09-04T14:42:20.632226Z",
"structure_string": "Sr2 Mg2\n1.0\n2.035092 -3.524882 0.000000\n2.035092 3.524882 0.000000\n0.000000 0.000000 11.109896\nSr Mg\n2 2\ndirect\n0.666667 0.333333 0.161368 Sr\n0.333333 0.666667 0.838632 Sr\n0.333333 0.666667 0.408498 Mg\n0.666667 0.333333 0.591502 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.332048492789627,
"density_atomic": 0.025095241076753642,
"volume": 159.3927704366746,
"volume_molar": 23.997142492400528,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -5.99241568,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:45.362000Z",
"spacegroup": 164
},
{
"id": "mp-973229",
"created_at": "2022-09-04T14:42:26.912596Z",
"structure_string": "Sc1 Nb1\n1.0\n1.532822 -2.654926 0.000000\n1.532822 2.654926 0.000000\n0.000000 0.000000 5.072194\nSc Nb\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.500000 Nb\n",
"nsites": 2,
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"elements": [
"Sc",
"Nb"
],
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"density": 5.5452942319198195,
"density_atomic": 0.0484462313041737,
"volume": 41.28288096225346,
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"formula_full": "Sc1 Nb1",
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"formula_anonymous": "AB",
"energy": -16.06093224,
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"total_magnetization": 2.1e-06,
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"updated_at": "2021-11-28T01:35:51.475000Z",
"spacegroup": 187
},
{
"id": "mp-22265",
"created_at": "2022-09-04T14:42:20.819898Z",
"structure_string": "Fe4 Sb8 O16\n1.0\n0.000028 0.000293 6.060995\n8.772030 0.000068 0.000039\n0.000068 8.771939 0.000387\nFe Sb O\n4 8 16\ndirect\n0.750003 0.999847 0.499953 Fe\n0.250007 0.500082 0.999857 Fe\n0.750000 0.500071 0.999878 Fe\n0.249977 0.999844 0.500102 Fe\n0.500000 0.332763 0.322276 Sb\n0.000002 0.322279 0.667242 Sb\n0.500003 0.167247 0.822289 Sb\n0.999995 0.822284 0.832776 Sb\n0.500003 0.667239 0.677724 Sb\n0.000003 0.677729 0.332767 Sb\n0.500004 0.832774 0.177745 Sb\n0.000004 0.177735 0.167246 Sb\n0.749998 0.320752 0.820743 O\n0.249993 0.820739 0.679274 O\n0.750006 0.179262 0.320754 O\n0.249999 0.320745 0.820747 O\n0.749998 0.820741 0.679274 O\n0.250006 0.179257 0.320754 O\n0.249998 0.679274 0.179261 O\n0.749998 0.679264 0.179267 O\n0.499988 0.860616 0.400166 O\n0.000016 0.400149 0.139377 O\n0.499991 0.639403 0.900145 O\n0.999984 0.900149 0.360632 O\n0.500009 0.139391 0.599877 O\n0.999993 0.599865 0.860608 O\n0.500013 0.360632 0.099863 O\n0.000009 0.099867 0.639402 O\n",
"nsites": 28,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "Fe-O-Sb",
"density": 5.174991934186602,
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"volume": 466.37969706222333,
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"formula_full": "Fe4 Sb8 O16",
"formula_reduced": "Fe(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -193.89895079,
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"spacegroup": 135
},
{
"id": "mp-541299",
"created_at": "2022-09-04T14:42:20.878292Z",
"structure_string": "Zr4 Cd1 P6 O24\n1.0\n7.934633 -4.494856 0.000000\n7.934633 4.494856 0.000000\n5.388361 0.000000 7.357153\nZr Cd P O\n4 1 6 24\ndirect\n0.136475 0.136475 0.136475 Zr\n0.863525 0.863525 0.863525 Zr\n0.648179 0.648179 0.648179 Zr\n0.351821 0.351821 0.351821 Zr\n0.500000 0.500000 0.500000 Cd\n0.953177 0.529826 0.256558 P\n0.529826 0.256558 0.953177 P\n0.256558 0.953177 0.529826 P\n0.046823 0.470174 0.743442 P\n0.470174 0.743442 0.046823 P\n0.743442 0.046823 0.470174 P\n0.991005 0.369511 0.214034 O\n0.369511 0.214034 0.991005 O\n0.214034 0.991005 0.369511 O\n0.008995 0.630489 0.785966 O\n0.630489 0.785966 0.008995 O\n0.785966 0.008995 0.630489 O\n0.508367 0.687686 0.892516 O\n0.687686 0.892516 0.508367 O\n0.892516 0.508367 0.687686 O\n0.491633 0.312314 0.107484 O\n0.312314 0.107484 0.491633 O\n0.107484 0.491633 0.312314 O\n0.062451 0.292381 0.905516 O\n0.292381 0.905516 0.062451 O\n0.905516 0.062451 0.292381 O\n0.937549 0.707619 0.094484 O\n0.707619 0.094484 0.937549 O\n0.094484 0.937549 0.707619 O\n0.553841 0.419472 0.769226 O\n0.419472 0.769226 0.553841 O\n0.769226 0.553841 0.419472 O\n0.446159 0.580528 0.230774 O\n0.580528 0.230774 0.446159 O\n0.230774 0.446159 0.580528 O\n",
"nsites": 35,
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"elements": [
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"P",
"O"
],
"chemical_system": "Cd-O-P-Zr",
"density": 3.3133661734707403,
"density_atomic": 0.06669382625355663,
"volume": 524.7862053518563,
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"formula_full": "Zr4 Cd1 P6 O24",
"formula_reduced": "Zr4Cd(PO4)6",
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"energy": -295.24571255,
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"updated_at": "2021-11-28T01:35:43.615000Z",
"spacegroup": 148
}
]
}