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{
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"results": [
{
"id": "mp-1264",
"created_at": "2022-09-04T14:48:28.673599Z",
"structure_string": "Cd1 Au3\n1.0\n4.215924 0.000000 0.000000\n0.000000 4.215924 0.000000\n0.000000 0.000000 4.215924\nCd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
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{
"id": "mp-1017229",
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"structure_string": "Mg12 B2 C2\n1.0\n3.396791 0.000000 0.000000\n0.000000 7.712337 0.000000\n0.000000 0.000000 10.331537\nMg B C\n12 2 2\ndirect\n0.000000 0.679254 0.113477 Mg\n0.000000 0.320746 0.113477 Mg\n0.000000 0.500000 0.877941 Mg\n0.500000 0.813257 0.880197 Mg\n0.500000 0.186743 0.880197 Mg\n0.500000 0.500000 0.634804 Mg\n0.000000 0.179254 0.613477 Mg\n0.000000 0.820746 0.613477 Mg\n0.000000 0.000000 0.377941 Mg\n0.500000 0.313257 0.380197 Mg\n0.500000 0.686743 0.380197 Mg\n0.500000 0.000000 0.134804 Mg\n0.000000 0.500000 0.473254 B\n0.000000 0.000000 0.973254 B\n0.500000 0.500000 0.026654 C\n0.500000 0.000000 0.526654 C\n",
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},
{
"id": "mp-996945",
"created_at": "2022-09-04T14:44:09.966431Z",
"structure_string": "Cs2 Tl1 In1 H6\n1.0\n0.000000 4.583113 4.583113\n4.583113 0.000000 4.583113\n4.583113 4.583113 0.000000\nCs Tl In H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n0.284302 0.715698 0.715698 H\n0.284302 0.715698 0.284302 H\n0.715698 0.284302 0.715698 H\n0.715698 0.715698 0.284302 H\n0.284302 0.284302 0.715698 H\n0.715698 0.284302 0.284302 H\n",
"nsites": 10,
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"elements": [
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"H"
],
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"density_atomic": 0.051938369135399426,
"volume": 192.53588756186687,
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"formula_full": "Cs2 Tl1 In1 H6",
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"spacegroup": 225
},
{
"id": "mp-1095795",
"created_at": "2022-09-04T14:42:00.276012Z",
"structure_string": "Be1 Zn1 Ir2\n1.0\n-4.600279 5.199255 7.232944\n4.600279 -5.199255 7.232944\n4.600279 5.199255 -7.232944\nBe Zn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Zn\n0.000000 0.227699 0.227699 Ir\n0.000000 0.772301 0.772301 Ir\n",
"nsites": 4,
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"density_atomic": 0.005780422827266116,
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"spacegroup": 71
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{
"id": "mp-29817",
"created_at": "2022-09-04T14:41:15.168169Z",
"structure_string": "Ga8 P16 I72\n1.0\n11.478636 0.000000 0.000000\n0.000000 18.887677 0.000000\n0.000000 0.000000 21.713497\nGa P I\n8 16 72\ndirect\n0.126946 0.221272 0.120717 Ga\n0.626946 0.278728 0.879283 Ga\n0.873054 0.721272 0.379283 Ga\n0.373054 0.778728 0.620717 Ga\n0.873054 0.778728 0.879283 Ga\n0.373054 0.721272 0.120717 Ga\n0.126946 0.278728 0.620717 Ga\n0.626946 0.221272 0.379283 Ga\n0.806768 0.495580 0.133708 P\n0.306768 0.004420 0.866292 P\n0.193232 0.995580 0.366292 P\n0.693232 0.504420 0.633708 P\n0.193232 0.504420 0.866292 P\n0.693232 0.995580 0.133708 P\n0.806768 0.004420 0.633708 P\n0.306768 0.495580 0.366292 P\n0.671296 0.424990 0.087990 P\n0.171296 0.075010 0.912010 P\n0.328704 0.924990 0.412010 P\n0.828704 0.575010 0.587990 P\n0.328704 0.575010 0.912010 P\n0.828704 0.924990 0.087990 P\n0.671296 0.075010 0.587990 P\n0.171296 0.424990 0.412010 P\n0.993848 0.211892 0.214931 I\n0.493848 0.288108 0.785069 I\n0.006152 0.711892 0.285069 I\n0.506152 0.788108 0.714931 I\n0.006152 0.788108 0.785069 I\n0.506152 0.711892 0.214931 I\n0.993848 0.288108 0.714931 I\n0.493848 0.211892 0.285069 I\n0.272514 0.112998 0.121217 I\n0.772514 0.387002 0.878783 I\n0.727486 0.612998 0.378783 I\n0.227486 0.887002 0.621217 I\n0.727486 0.887002 0.878783 I\n0.227486 0.612998 0.121217 I\n0.272514 0.387002 0.621217 I\n0.772514 0.112998 0.378783 I\n0.023225 0.222964 0.015860 I\n0.523225 0.277036 0.984140 I\n0.976775 0.722964 0.484140 I\n0.476775 0.777036 0.515860 I\n0.976775 0.777036 0.984140 I\n0.476775 0.722964 0.015860 I\n0.023225 0.277036 0.515860 I\n0.523225 0.222964 0.484140 I\n0.246717 0.338576 0.129540 I\n0.746717 0.161424 0.870460 I\n0.753283 0.838576 0.370460 I\n0.253283 0.661424 0.629540 I\n0.753283 0.661424 0.870460 I\n0.253283 0.838576 0.129540 I\n0.246717 0.161424 0.629540 I\n0.746717 0.338576 0.370460 I\n0.765962 0.542641 0.237424 I\n0.265962 0.957359 0.762576 I\n0.234038 0.042641 0.262576 I\n0.734038 0.457359 0.737424 I\n0.234038 0.457359 0.762576 I\n0.734038 0.042641 0.237424 I\n0.765962 0.957359 0.737424 I\n0.265962 0.542641 0.262576 I\n0.990753 0.427361 0.132617 I\n0.490753 0.072639 0.867383 I\n0.009247 0.927361 0.367383 I\n0.509247 0.572639 0.632617 I\n0.009247 0.572639 0.867383 I\n0.509247 0.927361 0.132617 I\n0.990753 0.072639 0.632617 I\n0.490753 0.427361 0.367383 I\n0.827994 0.594292 0.062337 I\n0.327994 0.905708 0.937663 I\n0.172006 0.094292 0.437663 I\n0.672006 0.405708 0.562337 I\n0.172006 0.405708 0.937663 I\n0.672006 0.094292 0.062337 I\n0.827994 0.905708 0.562337 I\n0.327994 0.594292 0.437663 I\n0.650125 0.338597 0.171669 I\n0.150125 0.161403 0.828331 I\n0.349875 0.838597 0.328331 I\n0.849875 0.661403 0.671669 I\n0.349875 0.661403 0.828331 I\n0.849875 0.838597 0.171669 I\n0.650125 0.161403 0.671669 I\n0.150125 0.338597 0.328331 I\n0.501695 0.503372 0.101369 I\n0.001695 0.996628 0.898631 I\n0.498305 0.003372 0.398631 I\n0.998305 0.496628 0.601369 I\n0.498305 0.496628 0.898631 I\n0.998305 0.003372 0.101369 I\n0.501695 0.996628 0.601369 I\n0.001695 0.503372 0.398631 I\n",
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],
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"density": 3.5945571352714754,
"density_atomic": 0.020392601313473823,
"volume": 4707.589704927481,
"volume_molar": 29.531008170208498,
"formula_full": "Ga8 P16 I72",
"formula_reduced": "GaP2I9",
"formula_anonymous": "AB2C9",
"energy": -270.31940723,
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"updated_at": "2021-11-28T01:35:27.314000Z",
"spacegroup": 61
},
{
"id": "mp-1074720",
"created_at": "2022-09-04T14:45:55.256841Z",
"structure_string": "Mg8 Si4\n1.0\n5.756966 0.000000 0.000000\n0.000000 6.186947 0.000000\n0.000000 1.975134 6.937802\nMg Si\n8 4\ndirect\n0.882868 0.389598 0.052801 Mg\n0.300345 0.317641 0.374455 Mg\n0.301885 0.758248 0.497521 Mg\n0.407044 0.053204 0.088437 Mg\n0.801885 0.241752 0.502479 Mg\n0.907044 0.946796 0.911563 Mg\n0.382868 0.610402 0.947199 Mg\n0.800345 0.682359 0.625545 Mg\n0.160177 0.343459 0.735410 Si\n0.660177 0.656541 0.264590 Si\n0.945326 0.966394 0.280153 Si\n0.445326 0.033606 0.719847 Si\n",
"nsites": 12,
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"formula_full": "Mg8 Si4",
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"spacegroup": 4
},
{
"id": "mp-567822",
"created_at": "2022-09-04T14:45:14.256328Z",
"structure_string": "Sr3 In11\n1.0\n-2.552629 5.660635 7.160474\n2.552629 -5.660635 7.160474\n2.552629 5.660635 -7.160474\nSr In\n3 11\ndirect\n0.691254 0.691254 0.000000 Sr\n0.308746 0.308746 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.579674 0.853689 0.725985 In\n0.127704 0.853689 0.274015 In\n0.028885 0.657114 0.371771 In\n0.420326 0.146311 0.274015 In\n0.971115 0.342886 0.628229 In\n0.690728 0.500000 0.190728 In\n0.309272 0.500000 0.809272 In\n0.872296 0.146311 0.725985 In\n0.714657 0.342886 0.371771 In\n0.500000 0.000000 0.500000 In\n0.285343 0.657114 0.628229 In\n",
"nsites": 14,
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"volume": 413.86110659565423,
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"formula_full": "Sr3 In11",
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"spacegroup": 71
},
{
"id": "mp-1074780",
"created_at": "2022-09-04T14:40:04.757908Z",
"structure_string": "Mg8 Si4\n1.0\n5.111938 0.000000 0.000000\n-0.610670 6.081760 0.000000\n-1.272837 -2.307065 7.542432\nMg Si\n8 4\ndirect\n0.048793 0.746115 0.986770 Mg\n0.985195 0.148871 0.350469 Mg\n0.431305 0.341449 0.826438 Mg\n0.014805 0.851129 0.649531 Mg\n0.951207 0.253885 0.013230 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.568695 0.658551 0.173562 Mg\n0.454250 0.154352 0.133122 Si\n0.545750 0.845648 0.866878 Si\n0.091108 0.663676 0.309645 Si\n0.908892 0.336324 0.690355 Si\n",
"nsites": 12,
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"density": 2.172464621468543,
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"volume": 234.49104344231895,
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"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
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"spacegroup": 2
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{
"id": "mp-1187133",
"created_at": "2022-09-04T14:39:30.854605Z",
"structure_string": "Sr6 Fe2\n1.0\n3.925924 -6.799900 0.000000\n3.925924 6.799900 0.000000\n0.000000 0.000000 5.887357\nSr Fe\n6 2\ndirect\n0.178342 0.356684 0.250000 Sr\n0.643316 0.821658 0.250000 Sr\n0.178342 0.821658 0.250000 Sr\n0.821658 0.643316 0.750000 Sr\n0.356684 0.178342 0.750000 Sr\n0.821658 0.178342 0.750000 Sr\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n",
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"elements": [
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"volume": 314.3364768797762,
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"formula_full": "Sr6 Fe2",
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{
"id": "mp-8331",
"created_at": "2022-09-04T14:48:08.378914Z",
"structure_string": "Li24 Mg6 Si8\n1.0\n-5.342456 5.342456 5.342456\n5.342456 -5.342456 5.342456\n5.342456 5.342456 -5.342456\nLi Mg Si\n24 6 8\ndirect\n0.656445 0.187409 0.269756 Li\n0.613311 0.343555 0.030965 Li\n0.812591 0.582346 0.469035 Li\n0.917654 0.730244 0.886689 Li\n0.582346 0.469035 0.812591 Li\n0.030965 0.613311 0.343555 Li\n0.730244 0.886689 0.917654 Li\n0.969035 0.082346 0.312591 Li\n0.386689 0.230244 0.417654 Li\n0.230244 0.417654 0.386689 Li\n0.113311 0.530965 0.843555 Li\n0.269756 0.656445 0.187409 Li\n0.187409 0.269756 0.656445 Li\n0.312591 0.969035 0.082346 Li\n0.530965 0.843555 0.113311 Li\n0.417654 0.386689 0.230244 Li\n0.843555 0.113311 0.530965 Li\n0.082346 0.312591 0.969035 Li\n0.687409 0.156445 0.769756 Li\n0.343555 0.030965 0.613311 Li\n0.469035 0.812591 0.582346 Li\n0.886689 0.917654 0.730244 Li\n0.156445 0.769756 0.687409 Li\n0.769756 0.687409 0.156445 Li\n0.625000 0.750000 0.375000 Mg\n0.750000 0.375000 0.625000 Mg\n0.250000 0.125000 0.875000 Mg\n0.375000 0.625000 0.750000 Mg\n0.125000 0.875000 0.250000 Mg\n0.875000 0.250000 0.125000 Mg\n0.500000 0.000000 0.406448 Si\n0.906448 0.500000 0.000000 Si\n0.000000 0.906448 0.500000 Si\n0.593552 0.593552 0.593552 Si\n0.000000 0.406448 0.500000 Si\n0.093552 0.093552 0.093552 Si\n0.406448 0.500000 0.000000 Si\n0.500000 0.000000 0.906448 Si\n",
"nsites": 38,
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"elements": [
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],
"chemical_system": "Li-Mg-Si",
"density": 1.4622437683603675,
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"volume": 609.9340143489168,
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"formula_full": "Li24 Mg6 Si8",
"formula_reduced": "Li12Mg3Si4",
"formula_anonymous": "A3B4C12",
"energy": -106.97339128,
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.219000Z",
"spacegroup": 220
},
{
"id": "mp-1077322",
"created_at": "2022-09-04T14:42:43.090424Z",
"structure_string": "Ba2 Ag4\n1.0\n-2.531562 4.130984 4.255362\n2.531562 -4.130984 4.255362\n2.531562 4.130984 -4.255362\nBa Ag\n2 4\ndirect\n0.210727 0.960727 0.250000 Ba\n0.789273 0.039273 0.750000 Ba\n0.217796 0.664268 0.553528 Ag\n0.782204 0.335732 0.446472 Ag\n0.389260 0.335732 0.053528 Ag\n0.610740 0.664268 0.946472 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Ag"
],
"chemical_system": "Ag-Ba",
"density": 6.587084109801264,
"density_atomic": 0.033706423028462634,
"volume": 178.00761578686158,
"volume_molar": 17.86644864367464,
"formula_full": "Ba2 Ag4",
"formula_reduced": "BaAg2",
"formula_anonymous": "AB2",
"energy": -16.89033929,
"energy_per_atom": -2.815056548333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.89033929,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0062823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.593000Z",
"spacegroup": 74
},
{
"id": "mp-1094200",
"created_at": "2022-09-04T14:40:20.041170Z",
"structure_string": "Mg3 Sn3\n1.0\n1.663120 -8.408549 0.000000\n1.663120 8.408549 0.000000\n0.000000 0.000000 5.275666\nMg Sn\n3 3\ndirect\n0.332572 0.667428 0.000000 Mg\n0.111320 0.888680 0.500000 Mg\n0.445538 0.554462 0.500000 Mg\n0.993860 0.006140 0.000000 Sn\n0.667834 0.332166 0.000000 Sn\n0.782209 0.217791 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.828364060523775,
"density_atomic": 0.04066299062762334,
"volume": 147.55432169133317,
"volume_molar": 14.809881582858825,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -16.8889879,
"energy_per_atom": -2.8148313166666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.8889879,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.816000Z",
"spacegroup": 38
}
]
}