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{
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"results": [
{
"id": "mp-1232220",
"created_at": "2022-09-04T14:40:44.021068Z",
"structure_string": "Pm16 Mg8 Se32\n1.0\n8.091054 0.000000 0.000000\n0.000000 13.518575 0.000000\n0.000000 0.000000 13.623829\nPm Mg Se\n16 8 32\ndirect\n0.883524 0.108065 0.684973 Pm\n0.116476 0.891935 0.184973 Pm\n0.883524 0.391935 0.184973 Pm\n0.116476 0.608065 0.684973 Pm\n0.382055 0.127444 0.326358 Pm\n0.617945 0.872556 0.826358 Pm\n0.382055 0.372556 0.826358 Pm\n0.617945 0.627444 0.326358 Pm\n0.628511 0.133623 0.991806 Pm\n0.371489 0.866377 0.491806 Pm\n0.628511 0.366377 0.491806 Pm\n0.371489 0.633623 0.991806 Pm\n0.128828 0.134531 0.992734 Pm\n0.871172 0.865469 0.492734 Pm\n0.128828 0.365469 0.492734 Pm\n0.871172 0.634531 0.992734 Pm\n0.382855 0.111351 0.692415 Mg\n0.617145 0.888649 0.192415 Mg\n0.382855 0.388649 0.192415 Mg\n0.617145 0.611351 0.692415 Mg\n0.878773 0.126380 0.319830 Mg\n0.121227 0.873620 0.819830 Mg\n0.878773 0.373620 0.819830 Mg\n0.121227 0.626380 0.319830 Mg\n0.880397 0.010731 0.879368 Se\n0.119603 0.989269 0.379368 Se\n0.880397 0.489269 0.379368 Se\n0.119603 0.510731 0.879368 Se\n0.380343 0.030908 0.128612 Se\n0.619657 0.969092 0.628612 Se\n0.380343 0.469092 0.628612 Se\n0.619657 0.530908 0.128612 Se\n0.371060 0.023415 0.867147 Se\n0.628940 0.976585 0.367147 Se\n0.371060 0.476585 0.367147 Se\n0.628940 0.523415 0.867147 Se\n0.871547 0.045112 0.138660 Se\n0.128453 0.954888 0.638660 Se\n0.871547 0.454888 0.638660 Se\n0.128453 0.545112 0.138660 Se\n0.879129 0.209892 0.498417 Se\n0.120871 0.790108 0.998417 Se\n0.879129 0.290108 0.998417 Se\n0.120871 0.709892 0.498417 Se\n0.380179 0.210403 0.522399 Se\n0.619821 0.789597 0.022399 Se\n0.380179 0.289597 0.022399 Se\n0.619821 0.710403 0.522399 Se\n0.128659 0.232350 0.776134 Se\n0.871341 0.767650 0.276134 Se\n0.128659 0.267650 0.276134 Se\n0.871341 0.732350 0.776134 Se\n0.632518 0.230456 0.778149 Se\n0.367482 0.769544 0.278149 Se\n0.632518 0.269544 0.278149 Se\n0.367482 0.730456 0.778149 Se\n",
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],
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"volume": 1490.167881051377,
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"formula_full": "Pm16 Mg8 Se32",
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"energy": -308.83187874,
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"updated_at": "2021-11-28T01:35:11.264000Z",
"spacegroup": 29
},
{
"id": "mp-5915",
"created_at": "2022-09-04T14:40:44.029123Z",
"structure_string": "Tl8 N8 O24\n1.0\n6.406367 0.000000 0.000000\n0.000000 8.180215 0.000000\n0.000000 0.000000 12.496997\nTl N O\n8 8 24\ndirect\n0.293216 0.996182 0.372273 Tl\n0.793216 0.003818 0.127727 Tl\n0.706784 0.496182 0.627727 Tl\n0.206784 0.503818 0.872273 Tl\n0.706784 0.003818 0.627727 Tl\n0.206784 0.996182 0.872273 Tl\n0.293216 0.503818 0.372273 Tl\n0.793216 0.496182 0.127727 Tl\n0.666524 0.250000 0.864068 N\n0.166524 0.750000 0.635932 N\n0.333476 0.750000 0.135932 N\n0.833476 0.250000 0.364068 N\n0.731312 0.750000 0.890607 N\n0.231312 0.250000 0.609393 N\n0.268688 0.250000 0.109393 N\n0.768688 0.750000 0.390607 N\n0.652559 0.250000 0.323917 O\n0.152559 0.750000 0.176083 O\n0.347441 0.750000 0.676083 O\n0.847441 0.250000 0.823917 O\n0.863615 0.250000 0.463779 O\n0.363615 0.750000 0.036221 O\n0.136385 0.750000 0.536221 O\n0.636385 0.250000 0.963779 O\n0.837577 0.884913 0.356543 O\n0.337577 0.115087 0.143457 O\n0.162423 0.384913 0.643457 O\n0.662423 0.615087 0.856543 O\n0.162423 0.115087 0.643457 O\n0.662423 0.884913 0.856543 O\n0.837577 0.615087 0.356543 O\n0.337577 0.384913 0.143457 O\n0.623306 0.750000 0.461624 O\n0.123306 0.250000 0.038376 O\n0.376694 0.250000 0.538376 O\n0.876694 0.750000 0.961624 O\n0.991899 0.250000 0.300654 O\n0.491899 0.750000 0.199346 O\n0.008101 0.750000 0.699346 O\n0.508101 0.250000 0.800654 O\n",
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"elements": [
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"N",
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"density_atomic": 0.06107701349466223,
"volume": 654.9108692666475,
"volume_molar": 9.859913599944274,
"formula_full": "Tl8 N8 O24",
"formula_reduced": "TlNO3",
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"energy": -243.92933756,
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"updated_at": "2021-11-28T01:35:11.404000Z",
"spacegroup": 62
},
{
"id": "mp-1177831",
"created_at": "2022-09-04T14:40:43.987964Z",
"structure_string": "Li4 V4 P6 O24\n1.0\n-4.227600 7.608997 0.079779\n0.049096 4.948395 -7.108716\n-4.378614 -2.544545 -7.044767\nLi V P O\n4 4 6 24\ndirect\n0.680405 0.773973 0.553965 Li\n0.178425 0.871470 0.940242 Li\n0.821425 0.128906 0.059634 Li\n0.319495 0.226122 0.446017 Li\n0.635610 0.721451 0.916300 V\n0.860547 0.283704 0.577022 V\n0.139354 0.716334 0.422918 V\n0.364431 0.278391 0.083803 V\n0.968099 0.782670 0.749788 P\n0.543375 0.492082 0.749450 P\n0.251656 0.213321 0.746138 P\n0.748190 0.786931 0.253628 P\n0.456562 0.507671 0.250736 P\n0.032368 0.217031 0.250382 P\n0.950950 0.972190 0.746479 O\n0.009653 0.790598 0.572767 O\n0.782559 0.802590 0.736557 O\n0.733559 0.325506 0.750012 O\n0.536416 0.350863 0.943404 O\n0.561390 0.669271 0.730680 O\n0.300609 0.207336 0.917682 O\n0.413802 0.035589 0.734038 O\n0.811216 0.573801 0.447758 O\n0.907401 0.824892 0.245185 O\n0.132997 0.577635 0.930133 O\n0.622888 0.395584 0.419982 O\n0.377104 0.604315 0.579988 O\n0.867310 0.422223 0.069850 O\n0.092304 0.175625 0.754646 O\n0.188488 0.426461 0.551909 O\n0.586176 0.964508 0.265947 O\n0.699305 0.793071 0.082006 O\n0.438482 0.330657 0.269598 O\n0.463257 0.649317 0.056737 O\n0.266273 0.674206 0.250276 O\n0.217867 0.196772 0.263598 O\n0.990705 0.209330 0.427222 O\n0.049343 0.027607 0.253524 O\n",
"nsites": 38,
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"elements": [
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"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.8614667679235573,
"density_atomic": 0.08171401229227289,
"volume": 465.0365210813836,
"volume_molar": 7.369777338138946,
"formula_full": "Li4 V4 P6 O24",
"formula_reduced": "Li2V2(PO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -297.33900171,
"energy_per_atom": -7.824710571315789,
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"updated_at": "2021-11-28T01:35:07.776000Z",
"spacegroup": 2
},
{
"id": "mp-1518776",
"created_at": "2022-09-04T14:40:44.006980Z",
"structure_string": "Na1 Tb1 Mn4 O12\n1.0\n5.329284 0.000000 0.000000\n0.000000 5.329284 -0.000000\n0.000000 -0.000000 7.640904\nNa Tb Mn O\n1 1 4 12\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 -0.000000 -0.000000 Tb\n0.000000 0.500000 0.740406 Mn\n0.000000 0.500000 0.259594 Mn\n0.500000 -0.000000 0.740406 Mn\n0.500000 0.000000 0.259594 Mn\n0.237373 0.237373 0.773564 O\n0.237373 0.237373 0.226436 O\n0.762627 0.762627 0.773564 O\n0.762627 0.762627 0.226436 O\n0.762627 0.237373 0.773564 O\n0.762627 0.237373 0.226436 O\n0.237373 0.762627 0.773564 O\n0.237373 0.762627 0.226436 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 18,
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"elements": [
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"O"
],
"chemical_system": "Mn-Na-O-Tb",
"density": 4.5425998827185685,
"density_atomic": 0.08294496583971256,
"volume": 217.01136190452107,
"volume_molar": 7.260405377268486,
"formula_full": "Na1 Tb1 Mn4 O12",
"formula_reduced": "NaTbMn4O12",
"formula_anonymous": "ABC4D12",
"energy": -131.97816763,
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"spacegroup": 123
},
{
"id": "mp-1198423",
"created_at": "2022-09-04T14:40:44.052737Z",
"structure_string": "Ho3 Fe29\n1.0\n4.176549 4.769614 0.000000\n-4.176549 4.769614 0.000000\n0.000000 1.289367 10.327007\nHo Fe\n3 29\ndirect\n0.000000 0.000000 0.000000 Ho\n0.185319 0.185319 0.405504 Ho\n0.814681 0.814681 0.594496 Ho\n0.500000 0.500000 0.500000 Fe\n0.294675 0.294675 0.862969 Fe\n0.705325 0.705325 0.137031 Fe\n0.523077 0.523077 0.744048 Fe\n0.476923 0.476923 0.255952 Fe\n0.304259 0.875818 0.202156 Fe\n0.124182 0.695741 0.797844 Fe\n0.695741 0.124182 0.797844 Fe\n0.875818 0.304259 0.202156 Fe\n0.545212 0.819121 0.372919 Fe\n0.180879 0.454788 0.627081 Fe\n0.454788 0.180879 0.627081 Fe\n0.819121 0.545212 0.372919 Fe\n0.642697 0.357303 0.000000 Fe\n0.357303 0.642697 0.000000 Fe\n0.276681 0.276681 0.112041 Fe\n0.723319 0.723319 0.887959 Fe\n0.093784 0.591294 0.200551 Fe\n0.408706 0.906216 0.799449 Fe\n0.906216 0.408706 0.799449 Fe\n0.591294 0.093784 0.200551 Fe\n0.905556 0.905556 0.294795 Fe\n0.094444 0.094444 0.705205 Fe\n0.323074 0.815983 0.591165 Fe\n0.184017 0.676926 0.408835 Fe\n0.676926 0.184017 0.408835 Fe\n0.815983 0.323074 0.591165 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n",
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"elements": [
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],
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"density": 8.533154243133879,
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"volume": 411.43883491377636,
"volume_molar": 7.742945556191136,
"formula_full": "Ho3 Fe29",
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"energy": -259.23938739,
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{
"id": "mp-772235",
"created_at": "2022-09-04T14:40:44.054528Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.761775 0.000000 0.000000\n0.000000 8.981974 0.000000\n0.000000 0.007605 10.387449\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.250456 0.082528 0.628837 Na\n0.254134 0.083845 0.130141 Na\n0.001113 0.256117 0.374474 Na\n0.000790 0.258657 0.873560 Na\n0.499878 0.258201 0.873087 Na\n0.501113 0.743883 0.625526 Na\n0.500790 0.741343 0.126440 Na\n0.999878 0.741799 0.126913 Na\n0.750456 0.917472 0.371163 Na\n0.754134 0.916155 0.869859 Na\n0.482200 0.274250 0.365392 Li\n0.982200 0.725750 0.634608 Li\n0.747547 0.360183 0.635662 Mn\n0.747404 0.362525 0.142841 Mn\n0.247547 0.639817 0.364338 Mn\n0.247404 0.637475 0.857159 Mn\n0.248405 0.413115 0.598004 P\n0.249476 0.412585 0.104190 P\n0.748405 0.586885 0.401996 P\n0.749476 0.587415 0.895810 P\n0.757335 0.054920 0.617368 C\n0.749304 0.060578 0.118060 C\n0.257335 0.945080 0.382632 C\n0.249304 0.939422 0.881940 C\n0.274495 0.088972 0.392354 O\n0.249738 0.083079 0.892991 O\n0.749931 0.118253 0.730421 O\n0.750670 0.122782 0.231225 O\n0.746469 0.138462 0.515006 O\n0.747341 0.144877 0.015550 O\n0.064723 0.317853 0.635152 O\n0.432312 0.328952 0.650090 O\n0.063661 0.321066 0.143747 O\n0.431662 0.319589 0.149570 O\n0.264928 0.422786 0.447675 O\n0.731818 0.425580 0.347472 O\n0.253179 0.429298 0.954282 O\n0.751028 0.430041 0.835424 O\n0.231818 0.574420 0.652528 O\n0.764928 0.577214 0.552325 O\n0.251028 0.569959 0.164576 O\n0.753179 0.570702 0.045718 O\n0.564723 0.682147 0.364848 O\n0.932312 0.671048 0.349910 O\n0.563661 0.678934 0.856253 O\n0.931662 0.680411 0.850430 O\n0.246469 0.861538 0.484994 O\n0.247341 0.855123 0.984450 O\n0.249931 0.881747 0.269579 O\n0.250670 0.877218 0.768775 O\n0.774495 0.911028 0.607646 O\n0.749738 0.916921 0.107009 O\n",
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"elements": [
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],
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"density": 2.851791227129121,
"density_atomic": 0.08242556450170961,
"volume": 630.8722338070424,
"volume_molar": 7.306156526080077,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
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"energy": -373.98911022,
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"updated_at": "2021-11-28T01:35:08.119000Z",
"spacegroup": 4
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{
"id": "mp-5835",
"created_at": "2022-09-04T14:40:44.058827Z",
"structure_string": "Ho1 Co2 Si2\n1.0\n-1.935297 1.935297 4.867155\n1.935297 -1.935297 4.867155\n1.935297 1.935297 -4.867155\nHo Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.627749 0.627749 0.000000 Si\n0.372251 0.372251 0.000000 Si\n",
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{
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