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{
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"results": [
{
"id": "mp-20435",
"created_at": "2022-09-04T14:40:25.009017Z",
"structure_string": "V2 P6 O18\n1.0\n3.279468 6.725527 0.000000\n-3.279468 6.725527 0.000000\n0.000000 5.772119 7.699667\nV P O\n2 6 18\ndirect\n0.494192 0.011613 0.394980 V\n0.011613 0.494192 0.894980 V\n0.290009 0.492741 0.070018 P\n0.492741 0.290009 0.570018 P\n0.053592 0.941141 0.158015 P\n0.941141 0.053592 0.658015 P\n0.526668 0.699391 0.220273 P\n0.699391 0.526668 0.720273 P\n0.413451 0.332143 0.205953 O\n0.332143 0.413451 0.705953 O\n0.466571 0.566511 0.884545 O\n0.566511 0.466571 0.384545 O\n0.747449 0.104291 0.599078 O\n0.104291 0.747449 0.099078 O\n0.675173 0.621098 0.060831 O\n0.621098 0.675173 0.560831 O\n0.810763 0.249663 0.748717 O\n0.249663 0.810763 0.248717 O\n0.078026 0.146227 0.998026 O\n0.146227 0.078026 0.498026 O\n0.820996 0.988352 0.301373 O\n0.988352 0.820996 0.801373 O\n0.565335 0.865677 0.230438 O\n0.865677 0.565335 0.730438 O\n0.408720 0.160206 0.560754 O\n0.160206 0.408720 0.060754 O\n",
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"elements": [
"V",
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"formula_full": "V2 P6 O18",
"formula_reduced": "V(PO3)3",
"formula_anonymous": "AB3C9",
"energy": -208.59953764,
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"spacegroup": 9
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{
"id": "mp-720245",
"created_at": "2022-09-04T14:40:25.083500Z",
"structure_string": "Cs2 K2 Na2 Li26 Si8 O32\n1.0\n3.233595 7.999888 0.000000\n-3.233595 7.999888 0.000000\n0.000000 0.125174 15.980744\nCs K Na Li Si O\n2 2 2 26 8 32\ndirect\n0.251160 0.251160 0.749412 Cs\n0.748840 0.748840 0.250588 Cs\n0.751002 0.751002 0.749494 K\n0.248998 0.248998 0.250506 K\n0.248368 0.751632 0.500000 Na\n0.751632 0.248368 0.500000 Na\n0.329244 0.830621 0.819030 Li\n0.424897 0.424897 0.846376 Li\n0.833712 0.328839 0.313458 Li\n0.571818 0.064990 0.921606 Li\n0.935010 0.428182 0.078394 Li\n0.830621 0.329244 0.819030 Li\n0.925361 0.925361 0.345147 Li\n0.844002 0.844002 0.075720 Li\n0.000000 0.000000 0.000000 Li\n0.155998 0.155998 0.924280 Li\n0.072037 0.561229 0.417874 Li\n0.438771 0.927963 0.582126 Li\n0.328839 0.833712 0.313458 Li\n0.169379 0.670756 0.180970 Li\n0.064990 0.571818 0.921606 Li\n0.428182 0.935010 0.078394 Li\n0.348169 0.348169 0.574050 Li\n0.651831 0.651831 0.425950 Li\n0.575103 0.575103 0.153624 Li\n0.500000 0.500000 0.000000 Li\n0.671161 0.166288 0.686542 Li\n0.561229 0.072037 0.417874 Li\n0.927963 0.438771 0.582126 Li\n0.670756 0.169379 0.180970 Li\n0.074639 0.074639 0.654853 Li\n0.166288 0.671161 0.686542 Li\n0.687167 0.687167 0.939624 Si\n0.186492 0.186492 0.441984 Si\n0.060777 0.060777 0.185588 Si\n0.939223 0.939223 0.814412 Si\n0.560090 0.560090 0.689377 Si\n0.439910 0.439910 0.310623 Si\n0.312833 0.312833 0.060376 Si\n0.813508 0.813508 0.558016 Si\n0.464642 0.895392 0.883040 O\n0.618922 0.618922 0.020422 O\n0.525733 0.525733 0.787664 O\n0.962953 0.391622 0.384802 O\n0.905620 0.331072 0.176379 O\n0.895392 0.464642 0.883040 O\n0.668928 0.094380 0.823621 O\n0.121101 0.121101 0.524677 O\n0.023991 0.023991 0.282214 O\n0.980182 0.980182 0.118182 O\n0.783208 0.783208 0.977378 O\n0.216792 0.216792 0.022622 O\n0.019818 0.019818 0.881818 O\n0.403815 0.831901 0.677998 O\n0.391622 0.962953 0.384802 O\n0.168099 0.596185 0.322002 O\n0.331072 0.905620 0.176379 O\n0.104608 0.535358 0.116960 O\n0.094380 0.668928 0.823621 O\n0.478317 0.478317 0.624099 O\n0.284024 0.284024 0.475620 O\n0.715976 0.715976 0.524380 O\n0.521683 0.521683 0.375901 O\n0.474267 0.474267 0.212336 O\n0.381078 0.381078 0.979578 O\n0.831901 0.403815 0.677998 O\n0.608378 0.037047 0.615198 O\n0.596185 0.168099 0.322002 O\n0.535358 0.104608 0.116960 O\n0.976009 0.976009 0.717786 O\n0.878899 0.878899 0.475323 O\n0.037047 0.608378 0.615198 O\n",
"nsites": 72,
"nelements": 6,
"elements": [
"Cs",
"K",
"Na",
"Li",
"Si",
"O"
],
"chemical_system": "Cs-K-Li-Na-O-Si",
"density": 2.6252297594189393,
"density_atomic": 0.08708351990013727,
"volume": 826.7924870580077,
"volume_molar": 6.9153621338525015,
"formula_full": "Cs2 K2 Na2 Li26 Si8 O32",
"formula_reduced": "CsKNaLi13(SiO4)4",
"formula_anonymous": "ABCD4E13F16",
"energy": -442.51910263,
"energy_per_atom": -6.1460986476388895,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.628000Z",
"spacegroup": 12
},
{
"id": "mp-752561",
"created_at": "2022-09-04T14:40:25.088958Z",
"structure_string": "Sb2 O4 F2\n1.0\n2.618205 4.382654 0.000000\n-2.618205 4.382654 0.000000\n0.000000 3.174650 4.561917\nSb O F\n2 4 2\ndirect\n0.311674 0.748384 0.149398 Sb\n0.748384 0.311674 0.649398 Sb\n0.904157 0.675559 0.410859 O\n0.538053 0.383255 0.401846 O\n0.675559 0.904157 0.910859 O\n0.383255 0.538053 0.901846 O\n0.155216 0.041272 0.401545 F\n0.041272 0.155216 0.901545 F\n",
"nsites": 8,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.480208086605879,
"density_atomic": 0.0764137966851176,
"volume": 104.6931358870444,
"volume_molar": 7.880960011469861,
"formula_full": "Sb2 O4 F2",
"formula_reduced": "SbO2F",
"formula_anonymous": "ABC2",
"energy": -47.77314199,
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"updated_at": "2021-11-28T01:34:55.601000Z",
"spacegroup": 9
},
{
"id": "mp-1213308",
"created_at": "2022-09-04T14:40:25.090868Z",
"structure_string": "Er4 Sb4 O16\n1.0\n5.354688 -0.253679 0.070676\n0.096430 7.539963 1.190813\n-0.156427 -0.037756 7.514566\nEr Sb O\n4 4 16\ndirect\n0.261657 0.136842 0.617507 Er\n0.738343 0.863158 0.382493 Er\n0.214169 0.157983 0.111481 Er\n0.785831 0.842017 0.888519 Er\n0.239275 0.663090 0.195151 Sb\n0.760725 0.336910 0.804849 Sb\n0.727379 0.335633 0.307492 Sb\n0.272621 0.664367 0.692508 Sb\n0.089547 0.432208 0.687692 O\n0.910453 0.567792 0.312308 O\n0.607015 0.322828 0.559965 O\n0.392985 0.677172 0.440035 O\n0.877292 0.333094 0.060517 O\n0.122708 0.666906 0.939483 O\n0.398238 0.428752 0.198223 O\n0.601762 0.571248 0.801777 O\n0.042925 0.887524 0.173748 O\n0.957075 0.112476 0.826252 O\n0.519918 0.108892 0.314767 O\n0.480082 0.891108 0.685233 O\n0.460894 0.193923 0.879368 O\n0.539106 0.806077 0.120632 O\n0.001654 0.173602 0.382905 O\n0.998346 0.826398 0.617095 O\n",
"nsites": 24,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "Er-O-Sb",
"density": 7.714420367939389,
"density_atomic": 0.07896057922533385,
"volume": 303.94913810738353,
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"formula_full": "Er4 Sb4 O16",
"formula_reduced": "ErSbO4",
"formula_anonymous": "ABC4",
"energy": -183.05103944,
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"spacegroup": 2
},
{
"id": "mp-1103472",
"created_at": "2022-09-04T14:40:25.125495Z",
"structure_string": "Na2 U1 F8\n1.0\n-2.771708 2.771708 5.328814\n2.771708 -2.771708 5.328814\n2.771708 2.771708 -5.328814\nNa U F\n2 1 8\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 U\n0.104420 0.104420 0.442843 F\n0.661576 0.661576 0.557157 F\n0.104420 0.661576 0.000000 F\n0.661576 0.104420 0.000000 F\n0.895580 0.895580 0.557157 F\n0.338424 0.338424 0.442843 F\n0.895580 0.338424 0.000000 F\n0.338424 0.895580 0.000000 F\n",
"nsites": 11,
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"elements": [
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"U",
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],
"chemical_system": "F-Na-U",
"density": 4.421257139726677,
"density_atomic": 0.06717492365330499,
"volume": 163.7515817177829,
"volume_molar": 8.964864316155738,
"formula_full": "Na2 U1 F8",
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"energy": -67.14298118,
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"updated_at": "2021-11-28T01:35:02.948000Z",
"spacegroup": 139
},
{
"id": "mp-1214029",
"created_at": "2022-09-04T14:40:24.897064Z",
"structure_string": "Ca6 Nb2 O12\n1.0\n5.942141 0.000000 0.000000\n0.000000 5.687243 0.000000\n0.000000 5.620816 8.141347\nCa Nb O\n6 2 12\ndirect\n0.057814 0.725657 0.758170 Ca\n0.942186 0.274343 0.241830 Ca\n0.557814 0.274343 0.741830 Ca\n0.442186 0.725657 0.258170 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.441416 0.892814 0.729926 O\n0.558584 0.107186 0.270074 O\n0.941416 0.107186 0.770074 O\n0.058584 0.892814 0.229926 O\n0.784151 0.755621 0.574389 O\n0.215849 0.244379 0.425611 O\n0.284151 0.244379 0.925611 O\n0.715849 0.755621 0.074389 O\n0.322844 0.654068 0.555705 O\n0.677156 0.345932 0.444295 O\n0.822844 0.345932 0.944295 O\n0.177156 0.654068 0.055705 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ca-Nb-O",
"density": 3.7315457342533827,
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"volume": 275.13193548766117,
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"formula_full": "Ca6 Nb2 O12",
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"spacegroup": 14
},
{
"id": "mp-626307",
"created_at": "2022-09-04T14:40:24.902940Z",
"structure_string": "Fe4 H4 O8\n1.0\n-5.364316 5.364316 1.544248\n5.364316 -5.364316 1.544248\n5.364316 5.364316 -1.544248\nFe H O\n4 4 8\ndirect\n0.821304 0.656814 0.478118 Fe\n0.178696 0.343186 0.521882 Fe\n0.343186 0.821304 0.164490 Fe\n0.656814 0.178696 0.835510 Fe\n0.727414 0.456552 0.183966 H\n0.272586 0.543448 0.816034 H\n0.543448 0.727414 0.270862 H\n0.456552 0.272586 0.729138 H\n0.795590 0.842330 0.637919 O\n0.204410 0.157670 0.362081 O\n0.157670 0.795590 0.953260 O\n0.842330 0.204410 0.046740 O\n0.819423 0.460499 0.279922 O\n0.180577 0.539501 0.720078 O\n0.539501 0.819423 0.358924 O\n0.460499 0.180577 0.641076 O\n",
"nsites": 16,
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"elements": [
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"H",
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],
"chemical_system": "Fe-H-O",
"density": 3.320238494993165,
"density_atomic": 0.09001486557507696,
"volume": 177.74841852821731,
"volume_molar": 6.69016247652698,
"formula_full": "Fe4 H4 O8",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy": -109.38459748,
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"updated_at": "2021-11-28T01:34:51.866000Z",
"spacegroup": 87
},
{
"id": "mp-1234710",
"created_at": "2022-09-04T14:40:24.913728Z",
"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.726215 0.013748 -4.991905\n0.220480 13.162056 0.186412\n-1.080587 0.248152 13.765877\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.290655 0.803794 0.009845 K\n0.675802 0.325075 0.488710 K\n0.764427 0.152229 0.002989 K\n0.283101 0.710813 0.503913 K\n0.795131 0.474172 0.267213 Mg\n0.483349 0.930756 0.750961 Zn\n0.485741 0.418421 0.754285 Zn\n0.519781 0.065416 0.258115 Zn\n0.551083 0.556561 0.308952 Zn\n0.778404 0.267917 0.785351 H\n0.202441 0.780214 0.711151 H\n0.287137 0.733964 0.243653 H\n0.785596 0.222565 0.295923 H\n0.927405 0.323871 0.930660 H\n0.036948 0.854251 0.570579 H\n0.102596 0.653038 0.137683 H\n0.954417 0.159245 0.440584 H\n0.940514 0.154837 0.745326 H\n0.070144 0.655192 0.740030 H\n0.094536 0.855070 0.241531 H\n0.884491 0.345438 0.170776 H\n0.655294 0.136599 0.642017 H\n0.365005 0.655614 0.851831 H\n0.372968 0.880916 0.363494 H\n0.589055 0.348333 0.067521 H\n0.224977 0.386266 0.505866 Br\n0.715162 0.903498 0.991638 Br\n0.695237 0.581067 0.541141 Br\n0.294258 0.098940 0.021055 Br\n0.292305 0.356208 0.826562 Br\n0.719179 0.898046 0.699511 Br\n0.816098 0.629427 0.165429 Br\n0.321858 0.083693 0.334930 Br\n0.276282 0.098083 0.668498 Br\n0.637856 0.584679 0.815063 Br\n0.737485 0.900782 0.332163 Br\n0.148231 0.359213 0.159025 Br\n0.207330 0.825140 0.651799 O\n0.760999 0.306378 0.839753 O\n0.780166 0.183358 0.355446 O\n0.264803 0.682476 0.183726 O\n0.215117 0.698626 0.807647 O\n0.776205 0.190812 0.683663 O\n0.747192 0.346395 0.168388 O\n0.260274 0.823652 0.322750 O\n",
"nsites": 45,
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"elements": [
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"Zn",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-K-Mg-O-Zn",
"density": 2.656530411504891,
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"volume": 965.9360123631361,
"volume_molar": 12.926672514675348,
"formula_full": "K4 Mg1 Zn4 H16 Br12 O8",
"formula_reduced": "K4MgZn4H16(Br3O2)4",
"formula_anonymous": "AB4C4D8E12F16",
"energy": -186.03451239,
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"updated_at": "2021-11-28T01:34:57.469000Z",
"spacegroup": 1
},
{
"id": "mp-1325463",
"created_at": "2022-09-04T14:40:24.914234Z",
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"updated_at": "2021-11-28T01:34:54.534000Z",
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},
{
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"created_at": "2022-09-04T14:40:24.919011Z",
"structure_string": "La4 Lu4 C12\n1.0\n-4.209008 4.209008 4.209008\n4.209008 -4.209008 4.209008\n4.209008 4.209008 -4.209008\nLa Lu C\n4 4 12\ndirect\n0.888978 0.888978 0.888978 La\n0.611022 0.500000 0.000000 La\n0.000000 0.611022 0.500000 La\n0.500000 0.000000 0.611022 La\n0.099708 0.500000 0.000000 Lu\n0.400292 0.400292 0.400292 Lu\n0.000000 0.099708 0.500000 Lu\n0.500000 0.000000 0.099708 Lu\n0.750000 0.439036 0.689036 C\n0.250000 0.060964 0.810964 C\n0.250000 0.220108 0.970108 C\n0.750000 0.279892 0.529892 C\n0.060964 0.810964 0.250000 C\n0.439036 0.689036 0.750000 C\n0.279892 0.529892 0.750000 C\n0.220108 0.970108 0.250000 C\n0.689036 0.750000 0.439036 C\n0.810964 0.250000 0.060964 C\n0.970108 0.250000 0.220108 C\n0.529892 0.750000 0.279892 C\n",
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"density": 7.792188654112232,
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{
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{
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}