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"results": [
{
"id": "mp-1228827",
"created_at": "2022-09-04T14:42:49.657603Z",
"structure_string": "Al1 V2 Fe1\n1.0\n-1.565334 -1.476107 1.476107\n-1.565334 1.476107 -1.476107\n0.000000 -5.716250 -5.716250\nAl V Fe\n1 2 1\ndirect\n0.000000 0.000000 0.013623 Al\n0.000000 0.000000 0.491716 V\n0.500000 0.500000 0.742464 V\n0.500000 0.500000 0.252197 Fe\n",
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{
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"structure_string": "Cs2 Al1 Hg1 Br6\n1.0\n0.000000 5.598710 5.598710\n5.598710 0.000000 5.598710\n5.598710 5.598710 0.000000\nCs Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.771610 0.228390 0.228390 Br\n0.228390 0.228390 0.771610 Br\n0.228390 0.771610 0.771610 Br\n0.228390 0.771610 0.228390 Br\n0.771610 0.228390 0.771610 Br\n0.771610 0.771610 0.228390 Br\n",
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"formula_full": "Cs2 Al1 Hg1 Br6",
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"spacegroup": 225
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{
"id": "mp-1390793",
"created_at": "2022-09-04T14:40:07.896403Z",
"structure_string": "Sb1 S4 N3\n1.0\n5.604830 0.000000 0.000000\n-1.216354 6.202764 0.000000\n-0.591747 -3.113091 6.127045\nSb S N\n1 4 3\ndirect\n0.029824 0.850123 0.038193 Sb\n0.116414 0.166737 0.449838 S\n0.669027 0.047494 0.065313 S\n0.057098 0.606210 0.449310 S\n0.688721 0.414999 0.924351 S\n0.217003 0.379963 0.539226 N\n0.909569 0.512980 0.059825 N\n0.312344 0.021497 0.473941 N\n",
"nsites": 8,
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"chemical_system": "N-S-Sb",
"density": 2.2766318836562,
"density_atomic": 0.037557027728231926,
"volume": 213.00940153968398,
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"formula_full": "Sb1 S4 N3",
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"formula_anonymous": "AB3C4",
"energy": -30.91829877,
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"updated_at": "2021-11-28T01:34:49.006000Z",
"spacegroup": 1
},
{
"id": "mp-1220634",
"created_at": "2022-09-04T14:47:21.629329Z",
"structure_string": "Nb2 Tc1\n1.0\n0.000000 2.345851 6.746498\n1.614043 0.000000 6.746498\n1.614043 2.345851 0.000000\nNb Tc\n2 1\ndirect\n0.338959 0.338959 0.661041 Nb\n0.661041 0.661041 0.338959 Nb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 3,
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"elements": [
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"density": 9.224802959508164,
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"volume": 51.08858992958881,
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"formula_full": "Nb2 Tc1",
"formula_reduced": "Nb2Tc",
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"updated_at": "2021-11-28T01:38:07.838000Z",
"spacegroup": 69
},
{
"id": "mp-676121",
"created_at": "2022-09-04T14:39:59.956647Z",
"structure_string": "Ag6 S2 I2\n1.0\n4.319690 0.000000 0.000000\n0.009313 4.732139 0.000000\n0.676556 0.077937 13.261198\nAg S I\n6 2 2\ndirect\n0.777606 0.448159 0.067256 Ag\n0.603943 0.943973 0.174344 Ag\n0.931039 0.515986 0.640338 Ag\n0.510401 0.806232 0.908946 Ag\n0.451152 0.976778 0.676063 Ag\n0.904014 0.296477 0.853540 Ag\n0.406232 0.486460 0.764913 S\n0.960842 0.962016 0.005592 S\n0.387208 0.446587 0.265220 I\n0.967561 0.017333 0.518788 I\n",
"nsites": 10,
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"elements": [
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"S",
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],
"chemical_system": "Ag-I-S",
"density": 5.912215314641317,
"density_atomic": 0.03688987354884376,
"volume": 271.07710159969986,
"volume_molar": 16.32464462646214,
"formula_full": "Ag6 S2 I2",
"formula_reduced": "Ag3SI",
"formula_anonymous": "ABC3",
"energy": -30.91394415,
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"updated_at": "2021-11-28T01:34:44.405000Z",
"spacegroup": 1
},
{
"id": "mp-1025321",
"created_at": "2022-09-04T14:44:18.989609Z",
"structure_string": "Rb2 Cr1 Br2 Cl2\n1.0\n-2.540945 2.540945 8.581710\n2.540945 -2.540945 8.581710\n2.540945 2.540945 -8.581710\nRb Cr Br Cl\n2 1 2 2\ndirect\n0.635542 0.635542 0.000000 Rb\n0.364458 0.364458 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.846863 0.846863 0.000000 Br\n0.153137 0.153137 0.000000 Br\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 7,
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"elements": [
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"Cl"
],
"chemical_system": "Br-Cl-Cr-Rb",
"density": 3.3989246828218476,
"density_atomic": 0.03158447664281965,
"volume": 221.62786102683026,
"volume_molar": 19.06677393487557,
"formula_full": "Rb2 Cr1 Br2 Cl2",
"formula_reduced": "Rb2Cr(BrCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -30.91204579,
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"updated_at": "2021-11-28T01:36:33.659000Z",
"spacegroup": 139
},
{
"id": "mp-570377",
"created_at": "2022-09-04T14:47:00.174207Z",
"structure_string": "Sn3 As4\n1.0\n5.861202 0.000000 0.000000\n0.000000 5.861202 0.000000\n0.000000 0.000000 5.861202\nSn As\n3 4\ndirect\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.286970 0.713030 0.286970 As\n0.713030 0.286970 0.286970 As\n0.286970 0.286970 0.713030 As\n0.713030 0.713030 0.713030 As\n",
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"density": 5.4084311187323335,
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"volume": 201.35390999899093,
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"formula_full": "Sn3 As4",
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"formula_anonymous": "A3B4",
"energy": -30.9119431,
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{
"id": "mp-29520",
"created_at": "2022-09-04T14:48:17.733330Z",
"structure_string": "Li2 Au2 I8\n1.0\n4.469893 0.000000 0.000000\n0.000000 7.211598 0.000000\n0.000000 6.744670 13.492392\nLi Au I\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.507327 0.202217 0.611972 I\n0.007327 0.797783 0.888028 I\n0.492673 0.797783 0.388028 I\n0.992673 0.202217 0.111972 I\n0.171560 0.692764 0.638145 I\n0.671560 0.307236 0.861855 I\n0.828440 0.307236 0.361855 I\n0.328440 0.692764 0.138145 I\n",
"nsites": 12,
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"elements": [
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"density": 5.433153110501896,
"density_atomic": 0.02759075970595226,
"volume": 434.92821973333315,
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"formula_full": "Li2 Au2 I8",
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{
"id": "mp-865534",
"created_at": "2022-09-04T14:40:02.369840Z",
"structure_string": "Y2 Br4\n1.0\n7.295379 0.000000 0.000000\n0.000000 7.295379 0.000000\n0.000000 0.000000 3.688409\nY Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.282787 0.282787 0.000000 Br\n0.717213 0.717213 0.000000 Br\n0.217213 0.782787 0.500000 Br\n0.782787 0.217213 0.500000 Br\n",
"nsites": 6,
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"volume": 196.30654995632221,
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{
"id": "mp-8456",
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"structure_string": "Sr2 As2 Pt2\n1.0\n2.150825 -3.725338 0.000000\n2.150825 3.725338 0.000000\n0.000000 0.000000 9.099085\nSr As Pt\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.250000 Pt\n0.666667 0.333333 0.750000 Pt\n",
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{
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"structure_string": "Ba1 Mg14 V1\n1.0\n6.575551 0.055503 0.000000\n-3.239709 5.611340 0.000000\n0.000000 0.000000 10.591607\nBa Mg V\n1 14 1\ndirect\n0.146429 0.823214 0.125000 Ba\n0.160772 0.330385 0.625000 Mg\n0.169496 0.834747 0.625000 Mg\n0.648514 0.330353 0.125000 Mg\n0.665869 0.326419 0.625000 Mg\n0.648514 0.818160 0.125000 Mg\n0.665869 0.839449 0.625000 Mg\n0.340663 0.179839 0.386009 Mg\n0.340663 0.179839 0.863991 Mg\n0.340663 0.660825 0.386009 Mg\n0.340663 0.660825 0.863991 Mg\n0.847744 0.173873 0.360105 Mg\n0.847744 0.173873 0.889895 Mg\n0.826076 0.663038 0.396330 Mg\n0.826076 0.663038 0.853670 Mg\n0.184244 0.342121 0.125000 V\n",
"nsites": 16,
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{
"id": "mp-1217905",
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"structure_string": "Ta1 Nb1 V1\n1.0\n0.000000 2.335599 6.645672\n1.621114 0.000000 6.645672\n1.621114 2.335599 0.000000\nTa Nb V\n1 1 1\ndirect\n0.325526 0.325526 0.674474 Ta\n0.007668 0.007668 0.992332 Nb\n0.666805 0.666805 0.333195 V\n",
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]
}