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{
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"results": [
{
"id": "mp-1186678",
"created_at": "2022-09-04T14:41:20.110202Z",
"structure_string": "Pm1 Zn1 Hg2\n1.0\n0.000000 3.604929 3.604929\n3.604929 0.000000 3.604929\n3.604929 3.604929 0.000000\nPm Zn Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"volume": 93.6958040523861,
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{
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"created_at": "2022-09-04T14:41:14.909497Z",
"structure_string": "Sr2 Gd1 Cu3 Pb2 O8\n1.0\n3.846195 0.000000 0.000000\n0.000000 3.846195 0.000000\n0.000000 0.000000 16.041753\nSr Gd Cu Pb O\n2 1 3 2 8\ndirect\n0.000000 0.000000 0.778092 Sr\n0.000000 0.000000 0.221908 Sr\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.893610 Cu\n0.500000 0.500000 0.106390 Cu\n0.500000 0.500000 0.387788 Pb\n0.500000 0.500000 0.612212 Pb\n0.000000 0.500000 0.906348 O\n0.500000 0.000000 0.093652 O\n0.000000 0.500000 0.093652 O\n0.500000 0.000000 0.906348 O\n0.000000 0.000000 0.384005 O\n0.500000 0.500000 0.748349 O\n0.500000 0.500000 0.251651 O\n0.000000 0.000000 0.615995 O\n",
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],
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"density": 7.455857254300613,
"density_atomic": 0.06742260986885236,
"volume": 237.30911679513045,
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"formula_full": "Sr2 Gd1 Cu3 Pb2 O8",
"formula_reduced": "Sr2GdCu3(PbO4)2",
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},
{
"id": "mp-776500",
"created_at": "2022-09-04T14:41:14.912795Z",
"structure_string": "Li6 V4 O8 F8\n1.0\n4.987783 0.000000 0.000000\n-0.014885 7.345586 0.000000\n-0.014653 -1.574648 7.595304\nLi V O F\n6 4 8 8\ndirect\n0.738107 0.968585 0.087479 Li\n0.757045 0.639985 0.371693 Li\n0.766377 0.176327 0.397253 Li\n0.253914 0.859139 0.634886 Li\n0.267330 0.322467 0.605179 Li\n0.234472 0.532244 0.909411 Li\n0.234087 0.831730 0.174782 V\n0.260944 0.326756 0.167038 V\n0.726102 0.671947 0.838090 V\n0.767390 0.177549 0.843871 V\n0.934536 0.700925 0.030886 O\n0.558578 0.191865 0.031199 O\n0.369725 0.551812 0.174441 O\n0.102767 0.050563 0.187554 O\n0.875067 0.952136 0.825837 O\n0.603299 0.449850 0.811756 O\n0.446481 0.790785 0.953840 O\n0.048487 0.303221 0.953149 O\n0.574664 0.910506 0.295136 F\n0.942130 0.395259 0.313018 F\n0.084277 0.797671 0.398815 F\n0.435103 0.297571 0.387133 F\n0.590254 0.702467 0.607350 F\n0.931867 0.201947 0.614632 F\n0.065060 0.590841 0.701778 F\n0.453926 0.105855 0.683800 F\n",
"nsites": 26,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.135128880016761,
"density_atomic": 0.09343168657153214,
"volume": 278.27818328093826,
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"formula_full": "Li6 V4 O8 F8",
"formula_reduced": "Li3V2(OF)4",
"formula_anonymous": "A2B3C4D4",
"energy": -173.83769174,
"energy_per_atom": -6.686065066923077,
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"spacegroup": 1
},
{
"id": "mp-939242",
"created_at": "2022-09-04T14:41:14.938263Z",
"structure_string": "Mn2 P2 O8 F2\n1.0\n5.151054 0.000000 0.000000\n-0.600011 5.153329 0.000000\n-2.111389 -2.648594 6.385380\nMn P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.912247 0.589031 0.761634 P\n0.087753 0.410969 0.238366 P\n0.001755 0.559601 0.121030 O\n0.559069 0.690020 0.077574 O\n0.858292 0.387603 0.402722 O\n0.956138 0.990239 0.344259 O\n0.440931 0.309980 0.922426 O\n0.141708 0.612397 0.597278 O\n0.043862 0.009761 0.655741 O\n0.998245 0.440399 0.878970 O\n0.619101 0.789481 0.265009 F\n0.380899 0.210519 0.734991 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"P",
"O",
"F"
],
"chemical_system": "F-Mn-O-P",
"density": 3.309467378806763,
"density_atomic": 0.08259567669111242,
"volume": 169.50039712558524,
"volume_molar": 7.2911089311869555,
"formula_full": "Mn2 P2 O8 F2",
"formula_reduced": "MnPO4F",
"formula_anonymous": "ABCD4",
"energy": -63.93430989000001,
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"spacegroup": 2
},
{
"id": "mp-768482",
"created_at": "2022-09-04T14:41:14.941148Z",
"structure_string": "Bi4 S6 O24\n1.0\n8.158199 -4.735438 0.000000\n8.158199 4.735438 0.000000\n5.409507 0.000000 7.727731\nBi S O\n4 6 24\ndirect\n0.360684 0.360684 0.360684 Bi\n0.139316 0.139316 0.139316 Bi\n0.639316 0.639316 0.639316 Bi\n0.860684 0.860684 0.860684 Bi\n0.750000 0.045473 0.454527 S\n0.954527 0.545473 0.250000 S\n0.545473 0.250000 0.954527 S\n0.454527 0.750000 0.045473 S\n0.045473 0.454527 0.750000 S\n0.250000 0.954527 0.545473 S\n0.893320 0.057833 0.284704 O\n0.715296 0.106680 0.942167 O\n0.908111 0.493159 0.689318 O\n0.006841 0.591889 0.810682 O\n0.606680 0.215296 0.442167 O\n0.784704 0.557833 0.393320 O\n0.942167 0.715296 0.106680 O\n0.189318 0.993159 0.408111 O\n0.506841 0.310682 0.091889 O\n0.310682 0.091889 0.506841 O\n0.408111 0.189318 0.993159 O\n0.557833 0.393320 0.784704 O\n0.442167 0.606680 0.215296 O\n0.689318 0.908111 0.493159 O\n0.591889 0.810682 0.006841 O\n0.810682 0.006841 0.591889 O\n0.493159 0.689318 0.908111 O\n0.057833 0.284704 0.893320 O\n0.215296 0.442167 0.606680 O\n0.393320 0.784704 0.557833 O\n0.091889 0.506841 0.310682 O\n0.993159 0.408111 0.189318 O\n0.284704 0.893320 0.057833 O\n0.106680 0.942167 0.715296 O\n",
"nsites": 34,
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"elements": [
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"S",
"O"
],
"chemical_system": "Bi-O-S",
"density": 3.9277040299091746,
"density_atomic": 0.0569432795276246,
"volume": 597.0853853527308,
"volume_molar": 10.575683048038195,
"formula_full": "Bi4 S6 O24",
"formula_reduced": "Bi2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy": -222.14043377,
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"updated_at": "2021-11-28T01:35:27.321000Z",
"spacegroup": 167
},
{
"id": "mp-1041311",
"created_at": "2022-09-04T14:41:14.945008Z",
"structure_string": "Zn4 Cu8 Sn8 O32\n1.0\n6.218071 0.000000 0.016441\n0.000000 8.820123 0.000000\n0.142285 0.000000 12.086489\nZn Cu Sn O\n4 8 8 32\ndirect\n0.101616 0.148216 0.029407 Zn\n0.898384 0.851784 0.970593 Zn\n0.898384 0.648216 0.470593 Zn\n0.101616 0.351784 0.529407 Zn\n0.753418 0.190177 0.832187 Cu\n0.373738 0.073492 0.603016 Cu\n0.626262 0.926508 0.396984 Cu\n0.246582 0.809823 0.167813 Cu\n0.753418 0.309823 0.332187 Cu\n0.373738 0.426508 0.103016 Cu\n0.246582 0.690177 0.667813 Cu\n0.626262 0.573492 0.896984 Cu\n0.091771 0.450710 0.845722 Sn\n0.091771 0.049290 0.345722 Sn\n0.564244 0.066170 0.151148 Sn\n0.908229 0.950710 0.654278 Sn\n0.435756 0.933830 0.848852 Sn\n0.435756 0.566170 0.348852 Sn\n0.564244 0.433830 0.651148 Sn\n0.908229 0.549290 0.154278 Sn\n0.034708 0.268489 0.371381 O\n0.653127 0.017458 0.570325 O\n0.196418 0.556209 0.459071 O\n0.803582 0.056209 0.040929 O\n0.034708 0.231510 0.871381 O\n0.965292 0.731510 0.628619 O\n0.084777 0.126134 0.598249 O\n0.528103 0.845948 0.197875 O\n0.528103 0.654052 0.697875 O\n0.279373 0.898024 0.697560 O\n0.720627 0.398024 0.802440 O\n0.471897 0.154052 0.802125 O\n0.915223 0.873866 0.401751 O\n0.797012 0.521183 0.313808 O\n0.413795 0.276197 0.558708 O\n0.413795 0.223803 0.058708 O\n0.202988 0.021183 0.186192 O\n0.471897 0.345948 0.302125 O\n0.202988 0.478817 0.686192 O\n0.803582 0.443791 0.540929 O\n0.653127 0.482542 0.070325 O\n0.720627 0.101976 0.302440 O\n0.965292 0.768490 0.128619 O\n0.084777 0.373866 0.098249 O\n0.196418 0.943791 0.959071 O\n0.586205 0.776197 0.941292 O\n0.346873 0.982542 0.429675 O\n0.346873 0.517458 0.929675 O\n0.915223 0.626134 0.901751 O\n0.586205 0.723803 0.441292 O\n0.279373 0.601976 0.197560 O\n0.797012 0.978817 0.813808 O\n",
"nsites": 52,
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"elements": [
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"O"
],
"chemical_system": "Cu-O-Sn-Zn",
"density": 5.590634494262523,
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"formula_full": "Zn4 Cu8 Sn8 O32",
"formula_reduced": "ZnCu2(SnO4)2",
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"updated_at": "2021-11-28T01:35:15.469000Z",
"spacegroup": 14
},
{
"id": "mp-1041845",
"created_at": "2022-09-04T14:41:14.948037Z",
"structure_string": "Mg8 Mn8 Si16 O48\n1.0\n5.334934 0.000000 0.000000\n0.000000 9.097246 0.000000\n0.000000 0.000000 18.664053\nMg Mn Si O\n8 8 16 48\ndirect\n0.616273 0.151039 0.374926 Mg\n0.383727 0.848961 0.625074 Mg\n0.616273 0.651039 0.125074 Mg\n0.116273 0.848961 0.125074 Mg\n0.883727 0.151039 0.874926 Mg\n0.383727 0.348961 0.874926 Mg\n0.116273 0.348961 0.374926 Mg\n0.883727 0.651039 0.625074 Mg\n0.380555 0.984458 0.876862 Mn\n0.619445 0.015542 0.123138 Mn\n0.880555 0.015542 0.623138 Mn\n0.119445 0.984458 0.376862 Mn\n0.380555 0.484458 0.623138 Mn\n0.619445 0.515542 0.376862 Mn\n0.880555 0.515542 0.876862 Mn\n0.119445 0.484458 0.123138 Mn\n0.559672 0.660922 0.771049 Si\n0.707980 0.836625 0.475919 Si\n0.792020 0.836625 0.975919 Si\n0.940328 0.160922 0.228951 Si\n0.059672 0.339078 0.728951 Si\n0.440328 0.839078 0.271049 Si\n0.207980 0.663375 0.475919 Si\n0.707980 0.336625 0.024081 Si\n0.792020 0.336625 0.524081 Si\n0.940328 0.660922 0.271049 Si\n0.440328 0.339078 0.228951 Si\n0.559672 0.160922 0.728951 Si\n0.292020 0.163375 0.524081 Si\n0.059672 0.839078 0.771049 Si\n0.292020 0.663375 0.975919 Si\n0.207980 0.163375 0.024081 Si\n0.943523 0.502566 0.310221 O\n0.285930 0.012886 0.064403 O\n0.056477 0.497434 0.689779 O\n0.707555 0.336325 0.936342 O\n0.207555 0.163675 0.936342 O\n0.919975 0.211542 0.051169 O\n0.944101 0.664708 0.183595 O\n0.055899 0.835292 0.683595 O\n0.707555 0.836325 0.563658 O\n0.944101 0.164708 0.316405 O\n0.443523 0.497434 0.189779 O\n0.792445 0.336325 0.436342 O\n0.714070 0.987114 0.935597 O\n0.444101 0.835292 0.183595 O\n0.556477 0.002566 0.689779 O\n0.285930 0.512886 0.435597 O\n0.443523 0.997434 0.310221 O\n0.169552 0.768275 0.301266 O\n0.330448 0.768275 0.801266 O\n0.580025 0.711542 0.948831 O\n0.792445 0.836325 0.063658 O\n0.555899 0.664708 0.683595 O\n0.785930 0.487114 0.064403 O\n0.169552 0.268275 0.198734 O\n0.292445 0.163675 0.436342 O\n0.555899 0.164708 0.816405 O\n0.714070 0.487114 0.564403 O\n0.207555 0.663675 0.563658 O\n0.214070 0.512886 0.935597 O\n0.669552 0.731725 0.301266 O\n0.056477 0.997434 0.810221 O\n0.830448 0.731725 0.801266 O\n0.830448 0.231725 0.698734 O\n0.785930 0.987114 0.435597 O\n0.292445 0.663675 0.063658 O\n0.214070 0.012886 0.564403 O\n0.330448 0.268275 0.698734 O\n0.080025 0.788458 0.948831 O\n0.419975 0.788458 0.448831 O\n0.669552 0.231725 0.198734 O\n0.419975 0.288458 0.051169 O\n0.580025 0.211542 0.551169 O\n0.080025 0.288458 0.551169 O\n0.444101 0.335292 0.316405 O\n0.556477 0.502566 0.810221 O\n0.919975 0.711542 0.448831 O\n0.055899 0.335292 0.816405 O\n0.943523 0.002566 0.189779 O\n",
"nsites": 80,
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],
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"volume": 905.8263475542537,
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"formula_full": "Mg8 Mn8 Si16 O48",
"formula_reduced": "MgMn(SiO3)2",
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"updated_at": "2021-11-28T01:35:13.925000Z",
"spacegroup": 61
},
{
"id": "mp-1025366",
"created_at": "2022-09-04T14:41:15.915256Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.996377 0.000000 0.000000\n0.000000 3.996377 0.000000\n0.000000 0.000000 7.273093\nSi Sb Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.300405 Pt\n0.000000 0.500000 0.699595 Pt\n0.500000 0.000000 0.300405 Pt\n0.500000 0.000000 0.699595 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
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}