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"results": [
{
"id": "mp-1110798",
"created_at": "2022-09-04T14:40:31.698347Z",
"structure_string": "Na3 Ga1 Br6\n1.0\n0.000000 5.405612 5.405612\n5.405612 0.000000 5.405612\n5.405612 5.405612 0.000000\nNa Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.763976 0.236024 0.236024 Br\n0.236024 0.236024 0.763976 Br\n0.236024 0.763976 0.763976 Br\n0.236024 0.763976 0.236024 Br\n0.763976 0.236024 0.763976 Br\n0.763976 0.763976 0.236024 Br\n",
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{
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"structure_string": "Li1 Nb1 Ru2\n1.0\n0.000000 3.068130 3.068130\n3.068130 0.000000 3.068130\n3.068130 3.068130 0.000000\nLi Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Li1 Nb1 Ru2",
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},
{
"id": "mp-22683",
"created_at": "2022-09-04T14:43:21.106974Z",
"structure_string": "Ce2 Cu2 Sn2\n1.0\n2.307766 -3.997169 0.000000\n2.307766 3.997169 0.000000\n0.000000 0.000000 7.586459\nCe Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.488495 Ce\n0.000000 0.000000 0.988495 Ce\n0.666667 0.333333 0.793873 Cu\n0.333333 0.666667 0.293873 Cu\n0.333333 0.666667 0.725233 Sn\n0.666667 0.333333 0.225233 Sn\n",
"nsites": 6,
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"chemical_system": "Ce-Cu-Sn",
"density": 7.649323263140907,
"density_atomic": 0.0428684576439296,
"volume": 139.96304811889195,
"volume_molar": 14.047952949510345,
"formula_full": "Ce2 Cu2 Sn2",
"formula_reduced": "CeCuSn",
"formula_anonymous": "ABC",
"energy": -30.95169352,
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"updated_at": "2021-11-28T01:36:19.487000Z",
"spacegroup": 186
},
{
"id": "mp-558749",
"created_at": "2022-09-04T14:45:35.294909Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.312334 0.000000 0.000000\n0.000000 4.312334 0.000000\n0.000000 0.000000 4.312334\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
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"density": 4.087534151991969,
"density_atomic": 0.06234947954809339,
"volume": 80.19313130181368,
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"formula_full": "Rb1 Mn1 F3",
"formula_reduced": "RbMnF3",
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"energy": -30.95152088,
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"updated_at": "2021-11-28T01:37:11.346000Z",
"spacegroup": 221
},
{
"id": "mp-1237264",
"created_at": "2022-09-04T14:46:33.176750Z",
"structure_string": "Li1 Zr1 N2\n1.0\n1.658015 -2.871765 0.000000\n1.658015 2.871765 0.000000\n0.000000 0.000000 5.387976\nLi Zr N\n1 1 2\ndirect\n0.000000 0.000000 0.465910 Li\n0.333333 0.666667 0.026537 Zr\n0.000000 0.000000 0.837614 N\n0.666667 0.333333 0.252939 N\n",
"nsites": 4,
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"elements": [
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"volume": 51.30893516660117,
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"formula_full": "Li1 Zr1 N2",
"formula_reduced": "LiZrN2",
"formula_anonymous": "ABC2",
"energy": -30.95107446,
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"updated_at": "2021-11-28T01:37:39.596000Z",
"spacegroup": 156
},
{
"id": "mp-1026892",
"created_at": "2022-09-04T14:41:28.932452Z",
"structure_string": "Mg14 Cu1 Sb1\n1.0\n6.275618 0.000094 0.000000\n-3.137728 5.434703 0.000000\n0.000000 0.000000 10.295207\nMg Cu Sb\n14 1 1\ndirect\n0.168129 0.334064 0.625000 Mg\n0.167394 0.833697 0.625000 Mg\n0.668219 0.333855 0.125000 Mg\n0.665420 0.333208 0.625000 Mg\n0.668219 0.834363 0.125000 Mg\n0.665420 0.832211 0.625000 Mg\n0.331775 0.171352 0.370797 Mg\n0.331775 0.171352 0.879203 Mg\n0.331775 0.660424 0.370797 Mg\n0.331775 0.660424 0.879203 Mg\n0.838209 0.169105 0.371448 Mg\n0.838209 0.169105 0.878552 Mg\n0.831301 0.665651 0.378154 Mg\n0.831301 0.665651 0.871846 Mg\n0.166309 0.333154 0.125000 Cu\n0.164771 0.832385 0.125000 Sb\n",
"nsites": 16,
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"elements": [
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"Cu",
"Sb"
],
"chemical_system": "Cu-Mg-Sb",
"density": 2.485498288885345,
"density_atomic": 0.04556683123911084,
"volume": 351.13260160752435,
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"formula_full": "Mg14 Cu1 Sb1",
"formula_reduced": "Mg14CuSb",
"formula_anonymous": "ABC14",
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"total_magnetization": 9e-07,
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"updated_at": "2021-11-28T01:35:21Z",
"spacegroup": 38
},
{
"id": "mp-1027951",
"created_at": "2022-09-04T14:48:26.675818Z",
"structure_string": "Mg14 Ti1 Zn1\n1.0\n6.328398 0.000000 0.000000\n-3.164199 5.480553 0.000000\n0.000000 0.000000 10.030903\nMg Ti Zn\n14 1 1\ndirect\n0.164943 0.832471 0.125000 Mg\n0.171298 0.835649 0.625000 Mg\n0.667529 0.335057 0.125000 Mg\n0.664351 0.328702 0.625000 Mg\n0.667529 0.832471 0.125000 Mg\n0.664351 0.835649 0.625000 Mg\n0.328328 0.171672 0.374424 Mg\n0.328328 0.171672 0.875576 Mg\n0.328328 0.656656 0.374424 Mg\n0.328328 0.656656 0.875576 Mg\n0.843344 0.171672 0.374424 Mg\n0.843344 0.171672 0.875576 Mg\n0.833333 0.666667 0.376942 Mg\n0.833333 0.666667 0.873058 Mg\n0.166667 0.333333 0.625000 Ti\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Ti-Zn",
"density": 2.164772395025501,
"density_atomic": 0.045989827997904686,
"volume": 347.9030189182044,
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"formula_full": "Mg14 Ti1 Zn1",
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"updated_at": "2021-11-28T01:39:16.640000Z",
"spacegroup": 187
},
{
"id": "mp-1222823",
"created_at": "2022-09-04T14:41:34.954212Z",
"structure_string": "La2 Ga2 Si2\n1.0\n-2.154014 2.154014 7.253104\n2.154014 -2.154014 7.253104\n2.154014 2.154014 -7.253104\nLa Ga Si\n2 2 2\ndirect\n0.624653 0.124653 0.500000 La\n0.874653 0.874653 0.000000 La\n0.041718 0.541718 0.500000 Ga\n0.291718 0.291718 0.000000 Ga\n0.458629 0.458629 0.000000 Si\n0.208629 0.708629 0.500000 Si\n",
"nsites": 6,
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"elements": [
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"Ga",
"Si"
],
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"density": 5.8401236582405645,
"density_atomic": 0.04457284046803595,
"volume": 134.61112051637625,
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"formula_full": "La2 Ga2 Si2",
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"formula_anonymous": "ABC",
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},
{
"id": "mp-1016566",
"created_at": "2022-09-04T14:41:54.662557Z",
"structure_string": "Ba2 Mg12 Bi2\n1.0\n5.201486 0.000000 0.000000\n0.000000 7.226757 0.000000\n0.000000 0.000000 12.234102\nBa Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.330028 Ba\n0.000000 0.000000 0.830028 Ba\n0.000000 0.249152 0.077619 Mg\n0.000000 0.750848 0.077619 Mg\n0.000000 0.500000 0.843194 Mg\n0.500000 0.284400 0.927855 Mg\n0.500000 0.715600 0.927855 Mg\n0.500000 0.500000 0.668642 Mg\n0.000000 0.749152 0.577619 Mg\n0.000000 0.250848 0.577619 Mg\n0.000000 0.000000 0.343194 Mg\n0.500000 0.784400 0.427855 Mg\n0.500000 0.215600 0.427855 Mg\n0.500000 0.000000 0.168642 Mg\n0.500000 0.500000 0.147186 Bi\n0.500000 0.000000 0.647186 Bi\n",
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{
"id": "mp-1222451",
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"structure_string": "Li1 Zr1 N2\n1.0\n-1.651213 -2.858404 -0.035857\n-3.301479 0.000369 -0.050186\n-0.090330 -0.018515 -5.426455\nLi Zr N\n1 1 2\ndirect\n0.671184 0.676057 0.531543 Li\n0.998470 0.997126 0.973933 Zr\n0.662326 0.654716 0.162864 N\n0.334721 0.338801 0.748660 N\n",
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{
"id": "mp-1428795",
"created_at": "2022-09-04T14:43:05.862298Z",
"structure_string": "Ca1 Ni2 N2\n1.0\n3.462600 0.000000 0.000000\n0.000000 3.462600 0.000000\n0.000000 0.000000 6.043008\nCa Ni N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.704123 Ni\n0.500000 0.500000 0.295877 Ni\n0.500000 0.000000 0.281911 N\n0.000000 0.500000 0.718089 N\n",
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"volume": 72.45324122347009,
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"formula_full": "Ca1 Ni2 N2",
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{
"id": "mp-1216625",
"created_at": "2022-09-04T14:41:30.270604Z",
"structure_string": "Ti1 O1 F2\n1.0\n3.947214 0.000000 0.000000\n0.000000 3.947214 0.000000\n0.000000 0.000000 3.698384\nTi O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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"volume": 57.62266585329253,
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"formula_full": "Ti1 O1 F2",
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}
]
}