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{
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"results": [
{
"id": "mp-1204358",
"created_at": "2022-09-04T14:40:22.678408Z",
"structure_string": "Mg4 B8 H30\n1.0\n8.028503 -0.021928 -0.235424\n-0.019864 7.955507 0.112097\n-0.136978 0.142140 10.157485\nMg B H\n4 8 30\ndirect\n0.108975 0.536394 0.206182 Mg\n0.378743 0.967417 0.796586 Mg\n0.930574 0.028114 0.002788 Mg\n0.282685 0.478727 0.527608 Mg\n0.350220 0.729494 0.647688 B\n0.175741 0.898950 0.948919 B\n0.654916 0.006184 0.910220 B\n0.080803 0.790945 0.081139 B\n0.997735 0.293938 0.088759 B\n0.014310 0.587181 0.432096 B\n0.371907 0.411279 0.303334 B\n0.341266 0.224420 0.659705 B\n0.778545 0.013089 0.842225 H\n0.186866 0.776339 0.171608 H\n0.902181 0.395256 0.132103 H\n0.146199 0.654150 0.398638 H\n0.450324 0.299900 0.258462 H\n0.279589 0.205505 0.767808 H\n0.471024 0.744374 0.724323 H\n0.568549 0.126071 0.874540 H\n0.144874 0.334856 0.088140 H\n0.029103 0.655190 0.039097 H\n0.452532 0.475541 0.395643 H\n0.941362 0.516150 0.339421 H\n0.259825 0.852289 0.633597 H\n0.223916 0.234072 0.578183 H\n0.267288 0.016414 0.983415 H\n0.594123 0.866572 0.894566 H\n0.081957 0.956488 0.856866 H\n0.953680 0.278332 0.972004 H\n0.253902 0.788480 0.897991 H\n0.681889 0.019356 0.029836 H\n0.990182 0.166398 0.159670 H\n0.958836 0.847667 0.137530 H\n0.038409 0.471289 0.514430 H\n0.353107 0.529187 0.222300 H\n0.429644 0.109607 0.626452 H\n0.264304 0.614728 0.692802 H\n0.927675 0.693688 0.474589 H\n0.237054 0.352206 0.338317 H\n0.407933 0.704215 0.539973 H\n0.431221 0.349551 0.667422 H\n",
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"spacegroup": 1
},
{
"id": "mp-1173470",
"created_at": "2022-09-04T14:46:16.276904Z",
"structure_string": "Ni1 Ge1 H12 O6 F6\n1.0\n7.973012 -6.651291 0.000000\n7.973012 6.651291 0.000000\n2.424334 0.000000 10.096098\nNi Ge H O F\n1 1 12 6 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ge\n0.315905 0.448866 0.034530 H\n0.494295 0.376065 0.271403 H\n0.623935 0.728597 0.505705 H\n0.448866 0.034530 0.315905 H\n0.728597 0.505705 0.623935 H\n0.034530 0.315905 0.448866 H\n0.965470 0.684095 0.551134 H\n0.271403 0.494295 0.376065 H\n0.551134 0.965470 0.684095 H\n0.376065 0.271403 0.494295 H\n0.505705 0.623935 0.728597 H\n0.684095 0.551134 0.965470 H\n0.720871 0.499748 0.720992 O\n0.500252 0.279008 0.279129 O\n0.279008 0.279129 0.500252 O\n0.720992 0.720871 0.499748 O\n0.499748 0.720992 0.720871 O\n0.279129 0.500252 0.279008 O\n0.759965 0.665168 0.376240 F\n0.665168 0.376240 0.759965 F\n0.623760 0.240035 0.334832 F\n0.376240 0.759965 0.665168 F\n0.334832 0.623760 0.240035 F\n0.240035 0.334832 0.623760 F\n",
"nsites": 26,
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"elements": [
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"H",
"O",
"F"
],
"chemical_system": "F-Ge-H-Ni-O",
"density": 0.5480532649124369,
"density_atomic": 0.024280712578024253,
"volume": 1070.8087712191702,
"volume_molar": 24.80215825894031,
"formula_full": "Ni1 Ge1 H12 O6 F6",
"formula_reduced": "NiGeH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy": -83.72923374,
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"updated_at": "2021-11-28T01:37:27.033000Z",
"spacegroup": 148
},
{
"id": "mp-1097541",
"created_at": "2022-09-04T14:43:09.420048Z",
"structure_string": "Mg2 Hg1 Pd1\n1.0\n-5.532269 5.867259 8.284739\n5.532269 -5.867259 8.284739\n5.532269 5.867259 -8.284739\nMg Hg Pd\n2 1 1\ndirect\n0.000000 0.224650 0.224650 Mg\n0.000000 0.775350 0.775350 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Mg-Pd",
"density": 0.5489817456681741,
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"volume": 1075.6658259111327,
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"formula_full": "Mg2 Hg1 Pd1",
"formula_reduced": "Mg2HgPd",
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"energy": -4.97436321,
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"band_gap": 0.5150000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.158000Z",
"spacegroup": 71
},
{
"id": "mp-1096251",
"created_at": "2022-09-04T14:40:31.608808Z",
"structure_string": "Zr1 Zn2 Pd1\n1.0\n-5.209125 5.614036 8.483321\n5.209125 -5.614036 8.483321\n5.209125 5.614036 -8.483321\nZr Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.268142 0.268142 Zn\n0.000000 0.731858 0.731858 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5496273889405974,
"density_atomic": 0.004030826704940463,
"volume": 992.3522624024795,
"volume_molar": 149.40212519230468,
"formula_full": "Zr1 Zn2 Pd1",
"formula_reduced": "ZrZn2Pd",
"formula_anonymous": "ABC2",
"energy": -8.03617922,
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"energy_uncorrected": -8.03617922,
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"updated_at": "2021-11-28T01:35:03.502000Z",
"spacegroup": 71
},
{
"id": "mp-1095759",
"created_at": "2022-09-04T14:40:59.709534Z",
"structure_string": "Mn2 Cr1 Ru1\n1.0\n-5.090876 5.158626 7.558612\n5.090876 -5.158626 7.558612\n5.090876 5.158626 -7.558612\nMn Cr Ru\n2 1 1\ndirect\n0.729457 0.000000 0.729457 Mn\n0.270543 0.000000 0.270543 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"Cr",
"Ru"
],
"chemical_system": "Cr-Mn-Ru",
"density": 0.5498962621850999,
"density_atomic": 0.0050376893801956065,
"volume": 794.0148147531647,
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"formula_full": "Mn2 Cr1 Ru1",
"formula_reduced": "Mn2CrRu",
"formula_anonymous": "ABC2",
"energy": -23.90701236,
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"updated_at": "2021-11-28T01:35:09.939000Z",
"spacegroup": 71
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{
"id": "mp-1093887",
"created_at": "2022-09-04T14:44:08.261063Z",
"structure_string": "La2 Al1 Zn1\n1.0\n-5.551066 5.966894 8.433656\n5.551066 -5.966894 8.433656\n5.551066 5.966894 -8.433656\nLa Al Zn\n2 1 1\ndirect\n0.000000 0.251892 0.251892 La\n0.000000 0.748108 0.748108 La\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Al",
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"density": 0.5501570197945479,
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"volume": 1117.379212861724,
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"formula_full": "La2 Al1 Zn1",
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"updated_at": "2021-11-28T01:36:35.270000Z",
"spacegroup": 71
},
{
"id": "mp-1096496",
"created_at": "2022-09-04T14:48:28.252718Z",
"structure_string": "Na1 Zn2 Au1\n1.0\n-5.457809 5.861990 8.271718\n5.457809 -5.861990 8.271718\n5.457809 5.861990 -8.271718\nNa Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266889 0.266889 Zn\n0.000000 0.733111 0.733111 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5502471398185703,
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"volume": 1058.5688686482943,
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"formula_full": "Na1 Zn2 Au1",
"formula_reduced": "NaZn2Au",
"formula_anonymous": "ABC2",
"energy": -4.6406024,
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"updated_at": "2021-11-28T01:39:17.812000Z",
"spacegroup": 71
},
{
"id": "mp-1097533",
"created_at": "2022-09-04T14:43:14.631472Z",
"structure_string": "V1 Sn1 Ru2\n1.0\n-4.637719 6.106793 9.901735\n4.637719 -6.106793 9.901735\n4.637719 6.106793 -9.901735\nV Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Sn\n0.000000 0.218826 0.218826 Ru\n0.000000 0.781174 0.781174 Ru\n",
"nsites": 4,
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"density": 0.5503761847608724,
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"volume": 1121.7315128706937,
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"formula_full": "V1 Sn1 Ru2",
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"spacegroup": 71
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{
"id": "mp-1093647",
"created_at": "2022-09-04T14:42:55.929119Z",
"structure_string": "Mg1 Zn1 Ni2\n1.0\n-4.742909 4.773068 6.887944\n4.742909 -4.773068 6.887944\n4.742909 4.773068 -6.887944\nMg Zn Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n0.743787 0.000000 0.743787 Ni\n0.256213 0.000000 0.256213 Ni\n",
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"volume": 623.7233641575331,
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"updated_at": "2021-11-28T01:35:57.896000Z",
"spacegroup": 71
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{
"id": "mp-1097262",
"created_at": "2022-09-04T14:42:39.118681Z",
"structure_string": "La1 Mg1 Au2\n1.0\n-5.716818 7.198515 10.191723\n5.716818 -7.198515 10.191723\n5.716818 7.198515 -10.191723\nLa Mg Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.250368 0.250368 Au\n0.000000 0.749632 0.749632 Au\n",
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"density": 0.55145663536427,
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"volume": 1677.6636048260686,
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"formula_full": "La1 Mg1 Au2",
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"spacegroup": 71
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{
"id": "mp-1097090",
"created_at": "2022-09-04T14:43:21.661113Z",
"structure_string": "Ca2 Pb1 Au1\n1.0\n-5.933573 6.590569 9.318528\n5.933573 -6.590569 9.318528\n5.933573 6.590569 -9.318528\nCa Pb Au\n2 1 1\ndirect\n0.000000 0.241580 0.241580 Ca\n0.000000 0.758420 0.758420 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"volume": 1457.6273444348758,
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"formula_full": "Ca2 Pb1 Au1",
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{
"id": "mp-1096680",
"created_at": "2022-09-04T14:40:42.367484Z",
"structure_string": "Li1 Ca1 Hg2\n1.0\n-6.141254 6.237536 8.802758\n6.141254 -6.237536 8.802758\n6.141254 6.237536 -8.802758\nLi Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.225422 0.225422 Hg\n0.000000 0.774578 0.774578 Hg\n",
"nsites": 4,
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"volume": 1348.8041054604537,
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"formula_full": "Li1 Ca1 Hg2",
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"updated_at": "2021-11-28T01:35:08.713000Z",
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}
]
}