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{
"count": 146323,
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"results": [
{
"id": "mp-1233899",
"created_at": "2022-09-04T14:46:39.143011Z",
"structure_string": "Mg1 Tl2 Pb16 Br18 O8\n1.0\n8.482053 0.032710 0.120161\n0.047323 12.601601 -0.043934\n0.182672 -0.042653 12.800738\nMg Tl Pb Br O\n1 2 16 18 8\ndirect\n0.809280 0.363988 0.906567 Mg\n0.661889 0.756822 0.749122 Tl\n0.330234 0.253255 0.248472 Tl\n0.874711 0.285261 0.113463 Pb\n0.355272 0.186960 0.610626 Pb\n0.188507 0.671132 0.018813 Pb\n0.626642 0.393035 0.667336 Pb\n0.653754 0.128627 0.797485 Pb\n0.643161 0.805848 0.382901 Pb\n0.171317 0.832640 0.475567 Pb\n0.822443 0.979039 0.164041 Pb\n0.362836 0.610501 0.301295 Pb\n0.165891 0.479466 0.649607 Pb\n0.818894 0.162119 0.504450 Pb\n0.358111 0.885276 0.195433 Pb\n0.354914 0.317252 0.873325 Pb\n0.187233 0.022653 0.835039 Pb\n0.654503 0.691333 0.113604 Pb\n0.825941 0.517646 0.330812 Pb\n0.890891 0.866916 0.961946 Br\n0.142694 0.127358 0.044810 Br\n0.115901 0.468133 0.134984 Br\n0.584633 0.437464 0.128333 Br\n0.397917 0.572464 0.859134 Br\n0.396240 0.626893 0.558729 Br\n0.110284 0.361573 0.455024 Br\n0.118338 0.035546 0.367255 Br\n0.592272 0.066195 0.366913 Br\n0.003442 0.754069 0.249171 Br\n0.872433 0.965148 0.626466 Br\n0.381273 0.927501 0.631029 Br\n0.892208 0.551634 0.849773 Br\n0.598041 0.367479 0.421602 Br\n0.399490 0.872706 0.932041 Br\n0.879890 0.630997 0.531146 Br\n0.604524 0.124521 0.061059 Br\n0.994365 0.257232 0.752025 Br\n0.625589 0.205794 0.629671 O\n0.376404 0.145638 0.791131 O\n0.380447 0.702866 0.139057 O\n0.633401 0.642293 0.293764 O\n0.630189 0.856332 0.202583 O\n0.362328 0.358827 0.689981 O\n0.622344 0.311819 0.836545 O\n0.372678 0.794749 0.355162 O\n",
"nsites": 45,
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"elements": [
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"Br",
"O"
],
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"density_atomic": 0.03289653096347809,
"volume": 1367.9253915848833,
"volume_molar": 18.30630946067175,
"formula_full": "Mg1 Tl2 Pb16 Br18 O8",
"formula_reduced": "MgTl2Pb16(Br9O4)2",
"formula_anonymous": "AB2C8D16E18",
"energy": -186.82989559,
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"updated_at": "2021-11-28T01:37:38.423000Z",
"spacegroup": 1
},
{
"id": "mp-1234297",
"created_at": "2022-09-04T14:46:56.891976Z",
"structure_string": "Sr4 Tm8 Mg1 O16\n1.0\n3.354210 0.000000 0.000000\n0.000000 10.738386 -0.450432\n0.000000 -0.555965 12.145354\nSr Tm Mg O\n4 8 1 16\ndirect\n0.750000 0.762433 0.364350 Sr\n0.250000 0.300244 0.579878 Sr\n0.750000 0.256568 0.093585 Sr\n0.250000 0.725145 0.855992 Sr\n0.250000 0.072320 0.395707 Tm\n0.750000 0.944752 0.618806 Tm\n0.250000 0.567836 0.098993 Tm\n0.750000 0.437348 0.860263 Tm\n0.750000 0.440520 0.365976 Tm\n0.250000 0.606133 0.596150 Tm\n0.750000 0.906457 0.137337 Tm\n0.250000 0.010033 0.926059 Tm\n0.250000 0.191695 0.794791 Mg\n0.250000 0.049815 0.103852 O\n0.750000 0.879468 0.947415 O\n0.250000 0.593048 0.406553 O\n0.750000 0.465400 0.551786 O\n0.250000 0.998522 0.737266 O\n0.750000 0.985572 0.304707 O\n0.250000 0.520917 0.765616 O\n0.750000 0.488114 0.191132 O\n0.250000 0.385076 0.986851 O\n0.750000 0.610574 0.975937 O\n0.250000 0.894734 0.492501 O\n0.750000 0.122603 0.520196 O\n0.750000 0.145904 0.908131 O\n0.250000 0.773509 0.176412 O\n0.750000 0.735331 0.655629 O\n0.250000 0.298677 0.360348 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
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"Tm",
"Mg",
"O"
],
"chemical_system": "Mg-O-Sr-Tm",
"density": 7.538806248474606,
"density_atomic": 0.06641914142216443,
"volume": 436.6211212468721,
"volume_molar": 9.066875348061002,
"formula_full": "Sr4 Tm8 Mg1 O16",
"formula_reduced": "Sr4Tm8MgO16",
"formula_anonymous": "AB4C8D16",
"energy": -225.70853157,
"energy_per_atom": -7.78305281275862,
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"energy_uncorrected": -214.71653157,
"band_gap": 0.3682000000000007,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.639000Z",
"spacegroup": 6
},
{
"id": "mp-29170",
"created_at": "2022-09-04T14:46:09.830671Z",
"structure_string": "Hg2 Au4 F16\n1.0\n5.925625 0.000000 0.000000\n0.000000 5.925625 0.000000\n0.000000 0.000000 10.672901\nHg Au F\n2 4 16\ndirect\n0.000000 0.000000 0.750000 Hg\n0.000000 0.000000 0.250000 Hg\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.686968 0.849444 0.628118 F\n0.313032 0.150556 0.628118 F\n0.849444 0.686968 0.871882 F\n0.849444 0.313032 0.628118 F\n0.150556 0.686968 0.628118 F\n0.313032 0.849444 0.871882 F\n0.849444 0.686968 0.128118 F\n0.313032 0.849444 0.128118 F\n0.686968 0.150556 0.128118 F\n0.849444 0.313032 0.371882 F\n0.150556 0.686968 0.371882 F\n0.150556 0.313032 0.128118 F\n0.686968 0.849444 0.371882 F\n0.313032 0.150556 0.371882 F\n0.150556 0.313032 0.871882 F\n0.686968 0.150556 0.871882 F\n",
"nsites": 22,
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"elements": [
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"Au",
"F"
],
"chemical_system": "Au-F-Hg",
"density": 6.615522115019577,
"density_atomic": 0.05870456468829574,
"volume": 374.7579105102582,
"volume_molar": 10.258385854619357,
"formula_full": "Hg2 Au4 F16",
"formula_reduced": "Hg(AuF4)2",
"formula_anonymous": "AB2C8",
"energy": -76.93447977999999,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.442000Z",
"spacegroup": 124
},
{
"id": "mp-19440",
"created_at": "2022-09-04T14:46:13.546841Z",
"structure_string": "Li4 V4 O12\n1.0\n5.094548 5.704850 0.000000\n-5.094548 5.704850 0.000000\n0.000000 2.840397 5.054136\nLi V O\n4 4 12\ndirect\n0.685276 0.314724 0.750000 Li\n0.314724 0.685276 0.250000 Li\n0.302564 0.697436 0.750000 Li\n0.697436 0.302564 0.250000 Li\n0.693996 0.882532 0.713060 V\n0.306004 0.117468 0.286940 V\n0.117468 0.306004 0.786940 V\n0.882532 0.693996 0.213060 V\n0.887836 0.359215 0.874660 O\n0.640785 0.112164 0.625340 O\n0.112164 0.640785 0.125340 O\n0.502737 0.255149 0.122720 O\n0.167723 0.163408 0.076334 O\n0.255149 0.502737 0.622720 O\n0.359215 0.887836 0.374660 O\n0.744851 0.497263 0.377280 O\n0.836592 0.832277 0.423666 O\n0.497263 0.744851 0.877280 O\n0.163408 0.167723 0.576334 O\n0.832277 0.836592 0.923666 O\n",
"nsites": 20,
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"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 2.3938618559375326,
"density_atomic": 0.06807743555450892,
"volume": 293.78309915898933,
"volume_molar": 8.846015880222355,
"formula_full": "Li4 V4 O12",
"formula_reduced": "LiVO3",
"formula_anonymous": "ABC3",
"energy": -151.89073583,
"energy_per_atom": -7.5945367915,
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"updated_at": "2021-11-28T01:37:24.992000Z",
"spacegroup": 15
},
{
"id": "mp-554089",
"created_at": "2022-09-04T14:46:16.000896Z",
"structure_string": "Si4 O8\n1.0\n5.066477 0.000000 0.000000\n0.000000 5.083702 0.000000\n0.000000 0.000000 7.041767\nSi O\n4 8\ndirect\n0.999565 0.045355 0.624823 Si\n0.499565 0.454645 0.124823 Si\n0.499565 0.954645 0.375177 Si\n0.999565 0.545355 0.875177 Si\n0.447510 0.656060 0.300785 O\n0.947510 0.343940 0.699215 O\n0.447510 0.156060 0.199215 O\n0.302935 0.515782 0.947950 O\n0.802935 0.984218 0.447950 O\n0.947510 0.843940 0.800785 O\n0.302935 0.015782 0.552050 O\n0.802935 0.484218 0.052050 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.200403279013789,
"density_atomic": 0.0661627327583041,
"volume": 181.37098483880078,
"volume_molar": 9.102013337325701,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -100.46005076,
"energy_per_atom": -8.371670896666666,
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"updated_at": "2021-11-28T01:37:29.701000Z",
"spacegroup": 33
},
{
"id": "mp-715262",
"created_at": "2022-09-04T14:47:21.099396Z",
"structure_string": "Fe2 O2\n1.0\n-2.265717 -2.083392 0.000000\n0.000000 2.083392 2.265716\n-2.265716 4.166785 -2.265716\nFe O\n2 2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.250000 0.250000 O\n0.250000 0.750000 0.750000 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.577375605140057,
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"volume": 42.7801322207853,
"volume_molar": 6.440699449124511,
"formula_full": "Fe2 O2",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy": -32.72492176,
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"updated_at": "2021-11-28T01:38:00.859000Z",
"spacegroup": 139
},
{
"id": "mp-1234010",
"created_at": "2022-09-04T14:46:19.783509Z",
"structure_string": "Mg1 P4 Br12 O4\n1.0\n7.090003 -0.494416 0.009434\n-0.765616 10.108780 -0.003197\n0.012937 -0.005472 11.175192\nMg P Br O\n1 4 12 4\ndirect\n0.501755 0.995771 0.245575 Mg\n0.365754 0.310040 0.246497 P\n0.615756 0.688468 0.745629 P\n0.907834 0.188988 0.744602 P\n0.076465 0.788728 0.245782 P\n0.792968 0.652301 0.589712 Br\n0.844048 0.052053 0.244708 Br\n0.335244 0.846834 0.410271 Br\n0.721909 0.149252 0.901662 Br\n0.207024 0.355614 0.403839 Br\n0.794263 0.653977 0.900726 Br\n0.383114 0.520195 0.746800 Br\n0.721108 0.145168 0.588998 Br\n0.089005 0.030768 0.745760 Br\n0.206761 0.355358 0.089722 Br\n0.333518 0.848525 0.080396 Br\n0.629305 0.449552 0.245849 Br\n0.551387 0.820344 0.745335 O\n0.016385 0.324837 0.743093 O\n0.400151 0.168267 0.246554 O\n0.016664 0.642460 0.244888 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"P",
"Br",
"O"
],
"chemical_system": "Br-Mg-O-P",
"density": 2.4407499131826675,
"density_atomic": 0.026358437086876862,
"volume": 796.7088462333497,
"volume_molar": 22.847108651211563,
"formula_full": "Mg1 P4 Br12 O4",
"formula_reduced": "MgP4(Br3O)4",
"formula_anonymous": "AB4C4D12",
"energy": -90.60695985,
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"updated_at": "2021-11-28T01:37:26.693000Z",
"spacegroup": 6
},
{
"id": "mp-1019719",
"created_at": "2022-09-04T14:46:14.292608Z",
"structure_string": "Cs8 Si16 B8 O48\n1.0\n-6.593376 6.593376 6.540656\n6.593376 -6.593376 6.540656\n6.593376 6.593376 -6.540656\nCs Si B O\n8 16 8 48\ndirect\n0.373473 0.373473 0.246945 Cs\n0.626527 0.873473 0.000000 Cs\n0.123473 0.623473 0.746945 Cs\n0.376527 0.123473 0.500000 Cs\n0.876527 0.376527 0.253055 Cs\n0.623473 0.876527 0.500000 Cs\n0.126527 0.126527 0.753055 Cs\n0.873473 0.626527 0.000000 Cs\n0.905111 0.130185 0.957408 Si\n0.672777 0.630185 0.225074 Si\n0.880185 0.155111 0.457408 Si\n0.197703 0.655111 0.274926 Si\n0.344889 0.619815 0.542592 Si\n0.577223 0.119815 0.274926 Si\n0.369815 0.594889 0.042592 Si\n0.052297 0.094889 0.225074 Si\n0.405111 0.447703 0.774926 Si\n0.172777 0.947702 0.042592 Si\n0.380185 0.922777 0.725074 Si\n0.697702 0.422777 0.542592 Si\n0.844889 0.302297 0.725074 Si\n0.077223 0.802297 0.457408 Si\n0.869815 0.827223 0.774926 Si\n0.552297 0.327223 0.957408 Si\n0.585611 0.585611 0.671223 B\n0.414389 0.085611 0.000000 B\n0.335611 0.835611 0.171223 B\n0.164389 0.335611 0.500000 B\n0.664389 0.164389 0.828777 B\n0.835611 0.664389 0.500000 B\n0.914389 0.914389 0.328777 B\n0.085611 0.414389 0.000000 B\n0.234667 0.466673 0.024856 O\n0.941817 0.966673 0.232006 O\n0.216673 0.484667 0.524856 O\n0.459811 0.984667 0.267994 O\n0.015333 0.283327 0.475144 O\n0.308183 0.783327 0.267994 O\n0.033327 0.265333 0.975144 O\n0.790189 0.765333 0.232006 O\n0.734667 0.709811 0.767994 O\n0.441817 0.209811 0.975144 O\n0.716673 0.191817 0.732006 O\n0.959811 0.691817 0.475144 O\n0.515333 0.040189 0.732006 O\n0.808183 0.540189 0.524856 O\n0.533327 0.558183 0.767994 O\n0.290189 0.058183 0.024856 O\n0.952505 0.121861 0.106368 O\n0.515493 0.621861 0.169356 O\n0.871861 0.202505 0.606368 O\n0.096137 0.702505 0.330644 O\n0.297495 0.628139 0.393632 O\n0.734507 0.128139 0.330644 O\n0.378139 0.547495 0.893632 O\n0.153863 0.047495 0.169356 O\n0.452505 0.346137 0.830644 O\n0.015493 0.846137 0.893632 O\n0.371861 0.765493 0.669356 O\n0.596137 0.265493 0.393632 O\n0.797495 0.403863 0.669356 O\n0.234507 0.903863 0.606368 O\n0.878139 0.984507 0.830644 O\n0.653863 0.484507 0.106368 O\n0.082878 0.504961 0.125473 O\n0.879488 0.004961 0.422082 O\n0.254961 0.332878 0.625473 O\n0.207405 0.832878 0.077918 O\n0.167122 0.245039 0.374527 O\n0.370512 0.745039 0.077918 O\n0.995039 0.417122 0.874527 O\n0.042595 0.917122 0.422082 O\n0.582878 0.457405 0.577918 O\n0.379488 0.957405 0.874527 O\n0.754961 0.129488 0.922082 O\n0.707405 0.629488 0.374527 O\n0.667122 0.292595 0.922082 O\n0.870512 0.792595 0.625473 O\n0.495039 0.620512 0.577918 O\n0.542595 0.120512 0.125473 O\n",
"nsites": 80,
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"elements": [
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"Si",
"B",
"O"
],
"chemical_system": "B-Cs-O-Si",
"density": 3.4559174704891134,
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"volume": 1137.3574732651273,
"volume_molar": 8.561658498050667,
"formula_full": "Cs8 Si16 B8 O48",
"formula_reduced": "CsSi2BO6",
"formula_anonymous": "ABC2D6",
"energy": -629.20725809,
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"updated_at": "2021-11-28T01:37:26.691000Z",
"spacegroup": 142
},
{
"id": "mp-1198123",
"created_at": "2022-09-04T14:47:14.087731Z",
"structure_string": "Al8 H56 C16 S8 Cl32\n1.0\n11.464913 0.000000 0.000000\n0.000000 13.094983 0.000000\n0.000000 0.130177 15.320204\nAl H C S Cl\n8 56 16 8 32\ndirect\n0.229281 0.600697 0.376330 Al\n0.729281 0.899303 0.623670 Al\n0.770719 0.399303 0.623670 Al\n0.270719 0.100697 0.376330 Al\n0.729714 0.471030 0.124458 Al\n0.229714 0.028970 0.875542 Al\n0.270286 0.528970 0.875542 Al\n0.770286 0.971030 0.124458 Al\n0.646771 0.648074 0.482868 H\n0.146771 0.851926 0.517132 H\n0.353229 0.351926 0.517132 H\n0.853229 0.148074 0.482868 H\n0.113064 0.845680 0.222171 H\n0.613064 0.654320 0.777829 H\n0.886936 0.154320 0.777829 H\n0.386936 0.345680 0.222171 H\n0.504595 0.760846 0.374431 H\n0.004595 0.739154 0.625569 H\n0.495405 0.239154 0.625569 H\n0.995405 0.260846 0.374431 H\n0.650308 0.811261 0.389635 H\n0.150308 0.688739 0.610365 H\n0.349692 0.188739 0.610365 H\n0.849692 0.311261 0.389635 H\n0.608929 0.754478 0.287372 H\n0.108929 0.745522 0.712628 H\n0.391071 0.245522 0.712628 H\n0.891071 0.254478 0.287372 H\n0.828345 0.552766 0.396818 H\n0.328345 0.947234 0.603182 H\n0.171655 0.447234 0.603182 H\n0.671655 0.052766 0.396818 H\n0.802984 0.629012 0.300729 H\n0.302984 0.870988 0.699271 H\n0.197016 0.370988 0.699271 H\n0.697016 0.129012 0.300729 H\n0.839073 0.690265 0.402258 H\n0.339073 0.809735 0.597742 H\n0.160927 0.309735 0.597742 H\n0.660927 0.190265 0.402258 H\n0.309771 0.927270 0.142319 H\n0.809771 0.572730 0.857681 H\n0.690229 0.072730 0.857681 H\n0.190229 0.427270 0.142319 H\n0.315656 0.792311 0.168892 H\n0.815656 0.707689 0.831108 H\n0.684344 0.207689 0.831108 H\n0.184344 0.292311 0.168892 H\n0.299924 0.834463 0.057306 H\n0.799924 0.665537 0.942694 H\n0.700076 0.165537 0.942694 H\n0.200076 0.334463 0.057306 H\n0.981700 0.725297 0.113567 H\n0.481700 0.774703 0.886433 H\n0.018300 0.274703 0.886433 H\n0.518300 0.225297 0.113567 H\n0.102766 0.712384 0.040106 H\n0.602766 0.787616 0.959894 H\n0.897234 0.287616 0.959894 H\n0.397234 0.212384 0.040106 H\n0.118047 0.671401 0.151949 H\n0.618047 0.828599 0.848051 H\n0.881953 0.328599 0.848051 H\n0.381953 0.171401 0.151949 H\n0.597037 0.752689 0.358428 C\n0.097037 0.747311 0.641572 C\n0.402963 0.247311 0.641572 C\n0.902963 0.252689 0.358428 C\n0.794741 0.625634 0.371948 C\n0.294741 0.874366 0.628052 C\n0.205259 0.374366 0.628052 C\n0.705259 0.125634 0.371948 C\n0.278849 0.850674 0.125435 C\n0.778849 0.649326 0.874565 C\n0.721151 0.149326 0.874565 C\n0.221151 0.350674 0.125435 C\n0.077025 0.726629 0.107716 C\n0.577025 0.773371 0.892284 C\n0.922975 0.273371 0.892284 C\n0.422975 0.226629 0.107716 C\n0.640775 0.627626 0.395769 S\n0.140775 0.872374 0.604231 S\n0.359225 0.372374 0.604231 S\n0.859225 0.127626 0.395769 S\n0.121968 0.854717 0.133804 S\n0.621968 0.645283 0.866196 S\n0.878032 0.145283 0.866196 S\n0.378032 0.354717 0.133804 S\n0.339532 0.618528 0.490416 Cl\n0.839532 0.881472 0.509584 Cl\n0.660468 0.381472 0.509584 Cl\n0.160468 0.118528 0.490416 Cl\n0.336584 0.597583 0.261025 Cl\n0.836584 0.902417 0.738975 Cl\n0.663416 0.402417 0.738975 Cl\n0.163416 0.097583 0.261025 Cl\n0.132192 0.461227 0.389477 Cl\n0.632192 0.038773 0.610523 Cl\n0.867808 0.538773 0.610523 Cl\n0.367808 0.961227 0.389477 Cl\n0.112255 0.731484 0.369026 Cl\n0.612255 0.768516 0.630974 Cl\n0.887745 0.268516 0.630974 Cl\n0.387745 0.231484 0.369026 Cl\n0.916585 0.454113 0.129662 Cl\n0.416585 0.045887 0.870338 Cl\n0.083415 0.545887 0.870338 Cl\n0.583415 0.954113 0.129662 Cl\n0.651469 0.399448 0.238552 Cl\n0.151469 0.100552 0.761448 Cl\n0.348531 0.600552 0.761448 Cl\n0.848531 0.899448 0.238552 Cl\n0.686822 0.632108 0.125086 Cl\n0.186822 0.867892 0.874914 Cl\n0.313178 0.367892 0.874914 Cl\n0.813178 0.132108 0.125086 Cl\n0.660275 0.401970 0.008418 Cl\n0.160275 0.098030 0.991582 Cl\n0.339725 0.598030 0.991582 Cl\n0.839725 0.901970 0.008418 Cl\n",
"nsites": 120,
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"elements": [
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"H",
"C",
"S",
"Cl"
],
"chemical_system": "Al-C-Cl-H-S",
"density": 1.339572104999272,
"density_atomic": 0.05217242162362964,
"volume": 2300.0657486377877,
"volume_molar": 11.542766412959612,
"formula_full": "Al8 H56 C16 S8 Cl32",
"formula_reduced": "AlH7C2SCl4",
"formula_anonymous": "ABC2D4E7",
"energy": -558.5055117300001,
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"updated_at": "2021-11-28T01:37:56.040000Z",
"spacegroup": 14
},
{
"id": "mp-1234253",
"created_at": "2022-09-04T14:46:59.342194Z",
"structure_string": "Sm3 Mg1 Bi1 Ru4 O14\n1.0\n-5.286722 0.000077 -5.286575\n5.286718 -5.286872 0.000081\n-5.260297 -5.260447 -0.026350\nSm Mg Bi Ru O\n3 1 1 4 14\ndirect\n0.249724 0.376911 0.373297 Sm\n0.249718 0.872805 0.373303 Sm\n0.753851 0.376925 0.373273 Sm\n0.999004 0.999494 0.001518 Mg\n0.752864 0.376437 0.870677 Bi\n0.730002 0.865010 0.404932 Ru\n0.268395 0.866256 0.865412 Ru\n0.268379 0.402127 0.865413 Ru\n0.732548 0.866286 0.865422 Ru\n0.494415 0.247203 0.258323 O\n0.002974 0.501486 0.495490 O\n0.903818 0.951929 0.547898 O\n0.500159 0.548288 0.547912 O\n0.500182 0.951905 0.547897 O\n0.100142 0.550068 0.950607 O\n0.499367 0.949295 0.950619 O\n0.499358 0.550082 0.950612 O\n0.574494 0.787237 0.213307 O\n0.999446 0.212217 0.213257 O\n0.999437 0.787198 0.213270 O\n0.419867 0.209927 0.789185 O\n0.000930 0.790953 0.789186 O\n0.000925 0.209962 0.789192 O\n",
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],
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"density_atomic": 0.07841641222791616,
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"formula_full": "Sm3 Mg1 Bi1 Ru4 O14",
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{
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"created_at": "2022-09-04T14:46:59.494035Z",
"structure_string": "Na2 C2\n1.0\n-2.088201 2.717201 3.188368\n2.088201 -2.717201 3.188368\n2.088201 2.717201 -3.188368\nNa C\n2 2\ndirect\n0.244975 0.244975 0.000000 Na\n0.755025 0.755025 0.000000 Na\n0.616293 0.000000 0.616293 C\n0.383707 0.000000 0.383707 C\n",
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],
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"formula_full": "Na2 C2",
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{
"id": "mp-1520270",
"created_at": "2022-09-04T14:48:28.571661Z",
"structure_string": "K1 Ca1 Nd1 W1 O6\n1.0\n-0.000000 -4.264051 -4.264051\n4.264051 0.000000 -4.264051\n4.264051 -4.264051 0.000000\nK Ca Nd W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728491 0.271509 0.271509 O\n0.271509 0.728491 0.728491 O\n0.728491 0.271509 0.728491 O\n0.271509 0.728491 0.271509 O\n0.728491 0.728491 0.271509 O\n0.271509 0.271509 0.728491 O\n",
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],
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"formula_full": "K1 Ca1 Nd1 W1 O6",
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"updated_at": "2021-11-28T01:39:21.923000Z",
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}
]
}