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{
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"results": [
{
"id": "mp-703316",
"created_at": "2022-09-04T14:46:08.069631Z",
"structure_string": "La4 Mg8 H28\n1.0\n6.360990 0.000000 0.000000\n0.000000 6.360990 0.000000\n0.000000 0.000000 9.537361\nLa Mg H\n4 8 28\ndirect\n0.769577 0.230423 0.750000 La\n0.230423 0.769577 0.250000 La\n0.730423 0.730423 0.500000 La\n0.269577 0.269577 0.000000 La\n0.525391 0.238523 0.398123 Mg\n0.474609 0.761477 0.898123 Mg\n0.738523 0.974609 0.148123 Mg\n0.261477 0.025391 0.648123 Mg\n0.761477 0.474609 0.101877 Mg\n0.238523 0.525391 0.601877 Mg\n0.974609 0.738523 0.851877 Mg\n0.025391 0.261477 0.351877 Mg\n0.532789 0.467957 0.620644 H\n0.467211 0.532043 0.120644 H\n0.967957 0.967211 0.370644 H\n0.032043 0.032789 0.870644 H\n0.532043 0.467211 0.879356 H\n0.467957 0.532789 0.379356 H\n0.967211 0.967957 0.629356 H\n0.032789 0.032043 0.129356 H\n0.571110 0.066245 0.569580 H\n0.428890 0.933755 0.069580 H\n0.566245 0.928890 0.319580 H\n0.433755 0.071110 0.819580 H\n0.933755 0.428890 0.930420 H\n0.066245 0.571110 0.430420 H\n0.928890 0.566245 0.680420 H\n0.071110 0.433755 0.180420 H\n0.804925 0.339479 0.495972 H\n0.195075 0.660521 0.995972 H\n0.839479 0.695075 0.245972 H\n0.160521 0.304925 0.745972 H\n0.660521 0.195075 0.004028 H\n0.339479 0.804925 0.504028 H\n0.695075 0.839479 0.754028 H\n0.304925 0.160521 0.254028 H\n0.258173 0.741827 0.750000 H\n0.741827 0.258173 0.250000 H\n0.241827 0.241827 0.500000 H\n0.758173 0.758173 0.000000 H\n",
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"elements": [
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],
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"volume": 385.90254893276835,
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"formula_full": "La4 Mg8 H28",
"formula_reduced": "LaMg2H7",
"formula_anonymous": "AB2C7",
"energy": -146.01476327,
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"updated_at": "2021-11-28T01:37:24.645000Z",
"spacegroup": 92
},
{
"id": "mp-1223372",
"created_at": "2022-09-04T14:43:40.577550Z",
"structure_string": "K2 Os2 N2 O6\n1.0\n-5.810973 0.000000 0.000000\n-0.001371 -5.811930 0.000000\n2.880185 2.807179 6.728022\nK Os N O\n2 2 2 6\ndirect\n0.374476 0.124778 0.249518 K\n0.624769 0.876998 0.749505 K\n0.876881 0.624210 0.251701 Os\n0.123782 0.375484 0.751628 Os\n0.704406 0.770847 0.105275 N\n0.270005 0.402132 0.605203 N\n0.901964 0.325348 0.097639 O\n0.824703 0.196750 0.597732 O\n0.307157 0.220560 0.898396 O\n0.097461 0.678655 0.897462 O\n0.718446 0.597923 0.398982 O\n0.175949 0.806315 0.396959 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.258066472520161,
"density_atomic": 0.052811026697570984,
"volume": 227.22527378078667,
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"formula_full": "K2 Os2 N2 O6",
"formula_reduced": "KOsNO3",
"formula_anonymous": "ABCD3",
"energy": -87.35462115,
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"updated_at": "2021-11-28T01:36:17.100000Z",
"spacegroup": 1
},
{
"id": "mp-20758",
"created_at": "2022-09-04T14:48:14.136914Z",
"structure_string": "Cr4 Co2 O8\n1.0\n1.728687 4.889415 2.994152\n0.000001 0.000000 5.988303\n3.457326 -4.889430 0.000001\nCr Co O\n4 2 8\ndirect\n0.500000 0.499998 0.500000 Cr\n0.500003 0.499997 0.000001 Cr\n0.999997 0.000003 0.499995 Cr\n0.999999 0.500001 0.499999 Cr\n0.250000 0.125000 0.125001 Co\n0.750000 0.875000 0.875000 Co\n0.477115 0.738557 0.738559 O\n0.522884 0.715672 0.261443 O\n0.977115 0.261443 0.261443 O\n0.977116 0.261442 0.715673 O\n0.022885 0.738557 0.738558 O\n0.022885 0.738558 0.284328 O\n0.522884 0.261443 0.261443 O\n0.477116 0.284328 0.738558 O\n",
"nsites": 14,
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"elements": [
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"Co",
"O"
],
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"density": 4.963213177313251,
"density_atomic": 0.09220051881563351,
"volume": 151.84296335679795,
"volume_molar": 6.531569276786852,
"formula_full": "Cr4 Co2 O8",
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"formula_anonymous": "AB2C4",
"energy": -122.31646188,
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"spacegroup": 227
},
{
"id": "mp-1228296",
"created_at": "2022-09-04T14:44:51.626325Z",
"structure_string": "Cs10 Re12 S16 Cl14\n1.0\n18.610845 -5.034935 0.000000\n18.610845 5.034935 0.000000\n17.248705 0.000000 8.613727\nCs Re S Cl\n10 12 16 14\ndirect\n0.561193 0.939330 0.250425 Cs\n0.250425 0.561193 0.939330 Cs\n0.939330 0.250425 0.561193 Cs\n0.750425 0.439330 0.061193 Cs\n0.061193 0.750425 0.439330 Cs\n0.439330 0.061193 0.750425 Cs\n0.836644 0.836644 0.836644 Cs\n0.336644 0.336644 0.336644 Cs\n0.161879 0.161879 0.161879 Cs\n0.661879 0.661879 0.661879 Cs\n0.460638 0.639790 0.341295 Re\n0.341295 0.460638 0.639790 Re\n0.639790 0.341295 0.460638 Re\n0.841295 0.139790 0.960638 Re\n0.960638 0.841295 0.139790 Re\n0.139790 0.960638 0.841295 Re\n0.539023 0.360400 0.658962 Re\n0.658962 0.539023 0.360400 Re\n0.360400 0.658962 0.539023 Re\n0.158962 0.860400 0.039023 Re\n0.039023 0.158962 0.860400 Re\n0.860400 0.039023 0.158962 Re\n0.188216 0.740188 0.518081 S\n0.518081 0.188216 0.740188 S\n0.740188 0.518081 0.188216 S\n0.018081 0.240188 0.688216 S\n0.688216 0.018081 0.240188 S\n0.240188 0.688216 0.018081 S\n0.812016 0.259761 0.481962 S\n0.481962 0.812016 0.259761 S\n0.259761 0.481962 0.812016 S\n0.981962 0.759761 0.312016 S\n0.312016 0.981962 0.759761 S\n0.759761 0.312016 0.981962 S\n0.446132 0.446132 0.446132 S\n0.946132 0.946132 0.946132 S\n0.553882 0.553882 0.553882 S\n0.053882 0.053882 0.053882 S\n0.401962 0.825626 0.136892 Cl\n0.136892 0.401962 0.825626 Cl\n0.825626 0.136892 0.401962 Cl\n0.636892 0.325626 0.901962 Cl\n0.901962 0.636892 0.325626 Cl\n0.325626 0.901962 0.636892 Cl\n0.594394 0.174764 0.866684 Cl\n0.866684 0.594394 0.174764 Cl\n0.174764 0.866684 0.594394 Cl\n0.366684 0.674764 0.094394 Cl\n0.094394 0.366684 0.674764 Cl\n0.674764 0.094394 0.366684 Cl\n0.770042 0.770042 0.770042 Cl\n0.270042 0.270042 0.270042 Cl\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Cs",
"Re",
"S",
"Cl"
],
"chemical_system": "Cl-Cs-Re-S",
"density": 4.70393910765178,
"density_atomic": 0.03221234073261484,
"volume": 1614.2881522220532,
"volume_molar": 18.695135538233675,
"formula_full": "Cs10 Re12 S16 Cl14",
"formula_reduced": "Cs5Re6S8Cl7",
"formula_anonymous": "A5B6C7D8",
"energy": -327.34197334,
"energy_per_atom": -6.295037948846153,
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"updated_at": "2021-11-28T01:36:40.482000Z",
"spacegroup": 161
},
{
"id": "mp-684868",
"created_at": "2022-09-04T14:47:26.496144Z",
"structure_string": "Na4 Al4 Si6 H8 O24\n1.0\n8.782501 0.678951 2.146518\n3.800852 8.094330 0.366173\n-0.392464 -0.387677 7.620179\nNa Al Si H O\n4 4 6 8 24\ndirect\n0.471501 0.648669 0.844034 Na\n0.105711 0.001325 0.361263 Na\n0.340997 0.282439 0.723780 Na\n0.925506 0.307422 0.925243 Na\n0.925836 0.680055 0.932107 Al\n0.677231 0.866845 0.716115 Al\n0.437788 0.579912 0.444536 Al\n0.598406 0.210696 0.954090 Al\n0.740081 0.057817 0.295913 Si\n0.993569 0.459244 0.583661 Si\n0.071460 0.901899 0.032125 Si\n0.331280 0.952173 0.602298 Si\n0.738062 0.298273 0.601489 Si\n0.270269 0.552204 0.147539 Si\n0.894641 0.824083 0.789795 H\n0.038626 0.545088 0.438376 H\n0.114225 0.835509 0.839714 H\n0.812425 0.647327 0.648853 H\n0.702378 0.408770 0.264333 H\n0.651596 0.584596 0.122530 H\n0.186134 0.075586 0.899649 H\n0.132035 0.356389 0.245186 H\n0.042484 0.481984 0.781219 O\n0.276899 0.081657 0.437694 O\n0.878612 0.365017 0.569795 O\n0.205676 0.276501 0.459549 O\n0.597500 0.018090 0.421166 O\n0.293276 0.804101 0.524262 O\n0.697839 0.751558 0.984251 O\n0.412566 0.420467 0.977945 O\n0.811674 0.151475 0.422368 O\n0.649864 0.197874 0.164206 O\n0.075385 0.561771 0.119271 O\n0.763398 0.892873 0.482566 O\n0.631395 0.533997 0.288727 O\n0.057718 0.080958 0.081591 O\n0.117136 0.377909 0.118665 O\n0.232361 0.747377 0.110544 O\n0.309245 0.524530 0.341922 O\n0.199766 0.103559 0.772569 O\n0.899800 0.887665 0.135825 O\n0.756893 0.226206 0.792462 O\n0.509833 0.834093 0.664559 O\n0.557504 0.069085 0.847721 O\n0.533891 0.442683 0.605288 O\n0.685889 0.592253 0.983204 O\n",
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],
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"volume": 526.8474037560954,
"volume_molar": 6.897280922738608,
"formula_full": "Na4 Al4 Si6 H8 O24",
"formula_reduced": "Na2Al2Si3(HO3)4",
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"energy": -294.63852085,
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"updated_at": "2021-11-28T01:38:13.531000Z",
"spacegroup": 1
},
{
"id": "mp-755901",
"created_at": "2022-09-04T14:40:13.364537Z",
"structure_string": "Sm6 Nb2 O14\n1.0\n3.759544 -5.426013 0.000000\n3.759544 5.426013 0.000000\n0.000000 0.000000 7.692862\nSm Nb O\n6 2 14\ndirect\n0.517075 0.059529 0.250000 Sm\n0.940471 0.482925 0.750000 Sm\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.482925 0.940471 0.750000 Sm\n0.059529 0.517075 0.250000 Sm\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.888071 0.151638 0.250000 O\n0.848362 0.111929 0.750000 O\n0.436395 0.180514 0.532466 O\n0.819486 0.563605 0.032466 O\n0.819486 0.563605 0.467534 O\n0.436395 0.180514 0.967534 O\n0.569942 0.569942 0.750000 O\n0.430058 0.430058 0.250000 O\n0.180514 0.436395 0.532466 O\n0.180514 0.436395 0.967534 O\n0.563605 0.819486 0.032466 O\n0.563605 0.819486 0.467534 O\n0.151638 0.888071 0.250000 O\n0.111929 0.848362 0.750000 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 6.941242152558485,
"density_atomic": 0.07009527459577938,
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"formula_full": "Sm6 Nb2 O14",
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"energy": -198.45440868,
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"updated_at": "2021-11-28T01:34:59.540000Z",
"spacegroup": 63
},
{
"id": "mp-1204218",
"created_at": "2022-09-04T14:40:28.596928Z",
"structure_string": "Sb8 H24 C4 S4 Cl24 O24\n1.0\n9.632730 0.000000 0.000000\n-4.493143 12.300053 0.000000\n-3.693944 -1.350553 14.982549\nSb H C S Cl O\n8 24 4 4 24 24\ndirect\n0.376455 0.757843 0.664954 Sb\n0.623545 0.242157 0.335046 Sb\n0.678744 0.908110 0.798962 Sb\n0.321256 0.091890 0.201038 Sb\n0.666607 0.406865 0.749860 Sb\n0.333393 0.593135 0.250140 Sb\n0.370723 0.257764 0.800141 Sb\n0.629277 0.742236 0.199859 Sb\n0.488056 0.515769 0.844809 H\n0.511944 0.484231 0.155191 H\n0.507302 0.652526 0.833783 H\n0.492698 0.347474 0.166217 H\n0.410131 0.582548 0.905715 H\n0.589869 0.417452 0.094285 H\n0.415311 0.078258 0.568085 H\n0.584689 0.921742 0.431915 H\n0.504322 0.147185 0.669296 H\n0.495678 0.852815 0.330704 H\n0.494461 0.011399 0.653470 H\n0.505539 0.988601 0.346530 H\n0.923159 0.812704 0.578583 H\n0.076841 0.187296 0.421417 H\n0.812165 0.696053 0.626453 H\n0.187835 0.303947 0.373547 H\n0.753252 0.712230 0.508041 H\n0.246748 0.287770 0.491959 H\n0.766944 0.212563 0.060737 H\n0.233056 0.787437 0.939263 H\n0.802905 0.193438 0.952901 H\n0.197095 0.806562 0.047099 H\n0.930226 0.309153 0.030937 H\n0.069774 0.690847 0.969063 H\n0.808622 0.753695 0.575410 C\n0.191378 0.246305 0.424590 C\n0.812157 0.252592 0.005950 C\n0.187843 0.747408 0.994050 C\n0.700055 0.829846 0.598090 S\n0.299945 0.170154 0.401910 S\n0.702300 0.331948 0.959808 S\n0.297700 0.668052 0.040192 S\n0.246120 0.303036 0.899704 Cl\n0.753880 0.696964 0.100296 Cl\n0.558557 0.439318 0.603941 Cl\n0.441443 0.560682 0.396059 Cl\n0.575544 0.945664 0.913389 Cl\n0.424456 0.054336 0.086611 Cl\n0.808972 0.594130 0.794683 Cl\n0.191028 0.405870 0.205317 Cl\n0.183949 0.258341 0.669968 Cl\n0.816051 0.741659 0.330032 Cl\n0.825483 0.091942 0.792439 Cl\n0.174517 0.908058 0.207561 Cl\n0.244177 0.799498 0.529123 Cl\n0.755823 0.200502 0.470877 Cl\n0.875954 0.863978 0.893696 Cl\n0.124046 0.136022 0.106304 Cl\n0.197154 0.765478 0.743551 Cl\n0.802846 0.234522 0.256449 Cl\n0.275314 0.567753 0.635362 Cl\n0.724686 0.432247 0.364638 Cl\n0.865442 0.365049 0.714507 Cl\n0.134558 0.634951 0.285493 Cl\n0.275048 0.068073 0.805287 Cl\n0.724952 0.931927 0.194713 Cl\n0.500376 0.417092 0.804856 O\n0.499624 0.582908 0.195144 O\n0.510087 0.917027 0.695031 O\n0.489913 0.082973 0.304969 O\n0.535591 0.750370 0.773823 O\n0.464409 0.249630 0.226177 O\n0.527081 0.248618 0.736424 O\n0.472919 0.751382 0.263576 O\n0.779523 0.877264 0.693119 O\n0.220477 0.122736 0.306881 O\n0.774584 0.384212 0.887048 O\n0.225416 0.615788 0.112952 O\n0.543200 0.747617 0.591847 O\n0.456800 0.252383 0.408153 O\n0.543324 0.251550 0.921554 O\n0.456676 0.748450 0.078446 O\n0.491770 0.589371 0.874462 O\n0.508230 0.410629 0.125538 O\n0.494535 0.085479 0.624862 O\n0.505465 0.914521 0.375138 O\n0.700027 0.912510 0.535506 O\n0.299973 0.087490 0.464494 O\n0.709430 0.411143 0.027724 O\n0.290570 0.588857 0.972276 O\n",
"nsites": 88,
"nelements": 6,
"elements": [
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"H",
"C",
"S",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-O-S-Sb",
"density": 2.2538318251960536,
"density_atomic": 0.049572474177646444,
"volume": 1775.1786946248803,
"volume_molar": 12.148154514981915,
"formula_full": "Sb8 H24 C4 S4 Cl24 O24",
"formula_reduced": "Sb2H6CS(ClO)6",
"formula_anonymous": "ABC2D6E6F6",
"energy": -437.35400762000006,
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"updated_at": "2021-11-28T01:35:00.121000Z",
"spacegroup": 2
},
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}