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"results": [
{
"id": "mp-1120718",
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"structure_string": "Mg1 Zn3 S4\n1.0\n5.509672 0.000000 0.000000\n0.000000 5.509672 0.000000\n0.000000 0.000000 5.509672\nMg Zn S\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.756027 0.756027 0.243973 S\n0.756027 0.243973 0.756027 S\n0.243973 0.756027 0.756027 S\n0.243973 0.243973 0.243973 S\n",
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{
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"structure_string": "V6 Bi2\n1.0\n5.026607 0.000000 0.000000\n0.000000 5.026607 0.000000\n0.000000 0.000000 5.026607\nV Bi\n6 2\ndirect\n0.500000 0.250000 0.000000 V\n0.500000 0.750000 0.000000 V\n0.250000 0.000000 0.500000 V\n0.750000 0.000000 0.500000 V\n0.000000 0.500000 0.250000 V\n0.000000 0.500000 0.750000 V\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
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"spacegroup": 223
},
{
"id": "mp-1120716",
"created_at": "2022-09-04T14:42:26.512957Z",
"structure_string": "Cd1 Hg3 Te4\n1.0\n6.661426 0.000000 0.000000\n0.000000 6.661426 0.000000\n0.000000 0.000000 6.661426\nCd Hg Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.249392 0.249392 0.249392 Te\n0.750608 0.750608 0.249392 Te\n0.249392 0.750608 0.750608 Te\n0.750608 0.249392 0.750608 Te\n",
"nsites": 8,
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"density": 6.879153351372383,
"density_atomic": 0.02706377433973357,
"volume": 295.59808988855013,
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"formula_full": "Cd1 Hg3 Te4",
"formula_reduced": "CdHg3Te4",
"formula_anonymous": "AB3C4",
"energy": -17.99129374,
"energy_per_atom": -2.2489117175,
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"updated_at": "2021-11-28T01:35:44.471000Z",
"spacegroup": 215
},
{
"id": "mp-1120715",
"created_at": "2022-09-04T14:40:42.400015Z",
"structure_string": "Ag3 Bi1 Br6\n1.0\n0.000000 5.589855 5.589855\n5.589855 0.000000 5.589855\n5.589855 5.589855 0.000000\nAg Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746425 0.746425 0.253575 Br\n0.253575 0.746425 0.253575 Br\n0.746425 0.253575 0.253575 Br\n0.253575 0.253575 0.746425 Br\n0.746425 0.253575 0.746425 Br\n0.253575 0.746425 0.746425 Br\n",
"nsites": 10,
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"elements": [
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"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br",
"density": 4.810628823628253,
"density_atomic": 0.028626508193122853,
"volume": 349.3265728581724,
"volume_molar": 21.0369379296031,
"formula_full": "Ag3 Bi1 Br6",
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"formula_anonymous": "AB3C6",
"energy": -27.16144356,
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"updated_at": "2021-11-28T01:35:08.790000Z",
"spacegroup": 225
},
{
"id": "mp-11207",
"created_at": "2022-09-04T14:46:09.512315Z",
"structure_string": "Pr6 Re2 O14\n1.0\n3.779329 -5.541170 0.000000\n3.779329 5.541170 0.000000\n0.000000 0.000000 7.687375\nPr Re O\n6 2 14\ndirect\n0.026370 0.580891 0.250000 Pr\n0.973630 0.419109 0.750000 Pr\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.419109 0.973630 0.750000 Pr\n0.580891 0.026370 0.250000 Pr\n0.000000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.606196 0.343544 0.750000 O\n0.393804 0.656456 0.250000 O\n0.343544 0.606196 0.750000 O\n0.656456 0.393804 0.250000 O\n0.309405 0.059102 0.037411 O\n0.690595 0.940898 0.537411 O\n0.059102 0.309405 0.462589 O\n0.940898 0.690595 0.962589 O\n0.923193 0.923193 0.250000 O\n0.076807 0.076807 0.750000 O\n0.059102 0.309405 0.037411 O\n0.940898 0.690595 0.537411 O\n0.309405 0.059102 0.462589 O\n0.690595 0.940898 0.962589 O\n",
"nsites": 22,
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"elements": [
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"density": 7.436102955400397,
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"volume": 321.9765458259301,
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"formula_full": "Pr6 Re2 O14",
"formula_reduced": "Pr3ReO7",
"formula_anonymous": "AB3C7",
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"updated_at": "2021-11-28T01:37:18.619000Z",
"spacegroup": 63
},
{
"id": "mp-11206",
"created_at": "2022-09-04T14:43:18.644854Z",
"structure_string": "Li2 Ti2 Si4 O12\n1.0\n4.337373 4.992776 0.000000\n-4.337373 4.992776 0.000000\n0.000000 1.798398 5.006820\nLi Ti Si O\n2 2 4 12\ndirect\n0.729119 0.270881 0.250000 Li\n0.270881 0.729119 0.750000 Li\n0.911952 0.088048 0.750000 Ti\n0.088048 0.911952 0.250000 Ti\n0.795984 0.610183 0.778441 Si\n0.389817 0.204016 0.721559 Si\n0.204016 0.389817 0.221559 Si\n0.610183 0.795984 0.278441 Si\n0.366066 0.340695 0.422885 O\n0.659305 0.633934 0.077115 O\n0.886246 0.367289 0.826766 O\n0.632711 0.113754 0.673234 O\n0.633934 0.659305 0.577115 O\n0.340695 0.366066 0.922885 O\n0.785047 0.972186 0.163700 O\n0.027814 0.214953 0.336300 O\n0.214953 0.027814 0.836300 O\n0.972186 0.785047 0.663700 O\n0.367289 0.886246 0.326766 O\n0.113754 0.632711 0.173234 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Li-O-Si-Ti",
"density": 3.1698374790951234,
"density_atomic": 0.0922293542712381,
"volume": 216.85069962847,
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"formula_full": "Li2 Ti2 Si4 O12",
"formula_reduced": "LiTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -163.36637996000002,
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"updated_at": "2021-11-28T01:36:05.681000Z",
"spacegroup": 15
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{
"id": "mp-1120447",
"created_at": "2022-09-04T14:44:52.948138Z",
"structure_string": "Si8\n1.0\n-5.047026 0.000000 0.000000\n-0.586684 -5.401043 0.000000\n2.269856 2.075411 6.179149\nSi\n8\ndirect\n0.757538 0.979653 0.117539 Si\n0.447467 0.795478 0.743508 Si\n0.755446 0.425250 0.308223 Si\n0.066436 0.786301 0.893959 Si\n0.451868 0.774605 0.245690 Si\n0.751369 0.441310 0.652432 Si\n0.051034 0.781274 0.390390 Si\n0.751409 0.000983 0.625969 Si\n",
"nsites": 8,
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"elements": [
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"density": 2.2150289147192517,
"density_atomic": 0.04749502738608576,
"volume": 168.43868590638388,
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"formula_full": "Si8",
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"updated_at": "2021-11-28T01:36:45.622000Z",
"spacegroup": 1
},
{
"id": "mp-11204",
"created_at": "2022-09-04T14:45:42.216458Z",
"structure_string": "Tm6 Fe1 Sb2\n1.0\n4.048630 -7.012432 0.000000\n4.048630 7.012432 0.000000\n0.000000 0.000000 4.097673\nTm Fe Sb\n6 1 2\ndirect\n0.233898 0.000000 0.000000 Tm\n0.766102 0.766102 0.000000 Tm\n0.000000 0.233898 0.000000 Tm\n0.000000 0.606131 0.500000 Tm\n0.393869 0.393869 0.500000 Tm\n0.606131 0.000000 0.500000 Tm\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n",
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"elements": [
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],
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"density": 9.370439066515322,
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"volume": 232.67195854299985,
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"formula_full": "Tm6 Fe1 Sb2",
"formula_reduced": "Tm6FeSb2",
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"spacegroup": 189
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{
"id": "mp-11203",
"created_at": "2022-09-04T14:41:47.617728Z",
"structure_string": "Lu6 Fe1 Sb2\n1.0\n4.008188 -6.942386 0.000000\n4.008188 6.942386 0.000000\n0.000000 0.000000 4.067902\nLu Fe Sb\n6 1 2\ndirect\n0.233094 0.000000 0.000000 Lu\n0.766906 0.766906 0.000000 Lu\n0.000000 0.233094 0.000000 Lu\n0.000000 0.610812 0.500000 Lu\n0.389188 0.389188 0.500000 Lu\n0.610812 0.000000 0.500000 Lu\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n",
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"volume": 226.39004088333897,
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"formula_full": "Lu6 Fe1 Sb2",
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{
"id": "mp-11202",
"created_at": "2022-09-04T14:44:05.264489Z",
"structure_string": "Y6 Fe1 Sb2\n1.0\n4.117007 -7.130866 0.000000\n4.117007 7.130866 0.000000\n0.000000 0.000000 4.150659\nY Fe Sb\n6 1 2\ndirect\n0.233768 0.000000 0.000000 Y\n0.000000 0.601793 0.500000 Y\n0.398207 0.398207 0.500000 Y\n0.766232 0.766232 0.000000 Y\n0.000000 0.233768 0.000000 Y\n0.601793 0.000000 0.500000 Y\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n",
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"density": 5.674386772610621,
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"volume": 243.7086430895784,
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{
"id": "mp-11201",
"created_at": "2022-09-04T14:44:07.590943Z",
"structure_string": "Sc6 Fe1 Sb2\n1.0\n3.829546 -6.632969 0.000000\n3.829546 6.632969 0.000000\n0.000000 0.000000 3.906991\nSc Fe Sb\n6 1 2\ndirect\n0.610774 0.000000 0.500000 Sc\n0.389226 0.389226 0.500000 Sc\n0.000000 0.610774 0.500000 Sc\n0.232069 0.000000 0.000000 Sc\n0.767931 0.767931 0.000000 Sc\n0.000000 0.232069 0.000000 Sc\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n",
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"density": 4.761133714720856,
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{
"id": "mp-11200",
"created_at": "2022-09-04T14:42:13.952955Z",
"structure_string": "La2 Mg4 Ni2\n1.0\n2.094028 -5.096796 0.000000\n2.094028 5.096796 0.000000\n0.000000 0.000000 8.394384\nLa Mg Ni\n2 4 2\ndirect\n0.439825 0.560175 0.250000 La\n0.560175 0.439825 0.750000 La\n0.845468 0.154532 0.554990 Mg\n0.154532 0.845468 0.445010 Mg\n0.845468 0.154532 0.945010 Mg\n0.154532 0.845468 0.054990 Mg\n0.274228 0.725772 0.750000 Ni\n0.725772 0.274228 0.250000 Ni\n",
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"density": 4.563354675724906,
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]
}