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{
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"results": [
{
"id": "mp-1831398",
"created_at": "2022-09-04T14:47:28.432325Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n2.970507 -0.009824 0.610937\n1.489740 8.231658 0.199210\n-0.189894 -0.218570 8.445632\nMg Mn O\n4 4 8\ndirect\n0.344990 0.083588 0.254113 Mg\n0.657042 0.895267 0.777010 Mg\n0.066662 0.728016 0.121712 Mg\n0.924374 0.250696 0.909589 Mg\n0.599589 0.209870 0.600301 Mn\n0.160969 0.407146 0.249720 Mn\n0.823598 0.571766 0.781829 Mn\n0.386180 0.769113 0.431084 Mn\n0.826462 0.726377 0.590647 O\n0.406188 0.381165 0.816699 O\n0.583915 0.597560 0.214663 O\n0.159623 0.252477 0.440635 O\n0.090199 0.064442 0.749514 O\n0.825906 0.227842 0.140399 O\n0.911559 0.914377 0.281486 O\n0.168113 0.750640 0.890782 O\n",
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"spacegroup": 2
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{
"id": "mp-1021406",
"created_at": "2022-09-04T14:47:28.447094Z",
"structure_string": "K2 Mg12 B2\n1.0\n4.526894 0.000000 0.000000\n0.000000 6.179443 0.000000\n0.000000 0.000000 14.389335\nK Mg B\n2 12 2\ndirect\n0.500000 0.000000 0.203917 K\n0.500000 0.500000 0.703917 K\n0.500000 0.266488 0.442085 Mg\n0.500000 0.733512 0.442085 Mg\n0.000000 0.725952 0.079752 Mg\n0.000000 0.274048 0.079752 Mg\n0.000000 0.000000 0.374004 Mg\n0.000000 0.500000 0.317490 Mg\n0.500000 0.766488 0.942085 Mg\n0.500000 0.233512 0.942085 Mg\n0.000000 0.225952 0.579752 Mg\n0.000000 0.774048 0.579752 Mg\n0.000000 0.500000 0.874004 Mg\n0.000000 0.000000 0.817490 Mg\n0.500000 0.500000 0.060912 B\n0.500000 0.000000 0.560912 B\n",
"nsites": 16,
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"elements": [
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],
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"density": 1.6149784980587043,
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"volume": 402.5227022027168,
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"formula_full": "K2 Mg12 B2",
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"energy": -28.18055625,
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"updated_at": "2021-11-28T01:38:08.212000Z",
"spacegroup": 38
},
{
"id": "mp-779909",
"created_at": "2022-09-04T14:47:28.452663Z",
"structure_string": "V6 O7 F5\n1.0\n5.612237 0.000000 0.000000\n1.761616 5.335919 0.000000\n2.178737 1.629704 6.842234\nV O F\n6 7 5\ndirect\n0.673852 0.706726 0.844820 V\n0.323396 0.345750 0.669183 V\n0.668933 0.627447 0.325019 V\n0.318979 0.344449 0.162905 V\n0.981307 0.999889 0.503103 V\n0.029793 0.988566 0.998404 V\n0.018728 0.651641 0.668408 O\n0.231762 0.232613 0.962292 O\n0.775868 0.772257 0.030746 O\n0.431127 0.425097 0.371052 O\n0.319757 0.698061 0.989525 O\n0.623669 0.031718 0.675513 O\n0.970592 0.349897 0.336123 O\n0.367224 0.956127 0.335576 F\n0.572157 0.569930 0.634089 F\n0.892258 0.890300 0.300902 F\n0.094427 0.104142 0.698533 F\n0.706168 0.305389 0.993805 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.154471045364215,
"density_atomic": 0.08784748883293722,
"volume": 204.90056391061168,
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"formula_full": "V6 O7 F5",
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"energy": -148.42401952,
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"spacegroup": 1
},
{
"id": "mp-676282",
"created_at": "2022-09-04T14:47:28.457562Z",
"structure_string": "Mg2 Mo12 S16\n1.0\n6.544205 0.000000 0.000000\n-0.408072 6.546931 0.000000\n-0.719168 -0.867835 13.054802\nMg Mo S\n2 12 16\ndirect\n0.106765 0.927553 0.983079 Mg\n0.965002 0.107243 0.464397 Mg\n0.592893 0.781947 0.226062 Mo\n0.592325 0.779688 0.726498 Mo\n0.452914 0.591324 0.390185 Mo\n0.224373 0.548376 0.205210 Mo\n0.453842 0.589267 0.888167 Mo\n0.216359 0.549695 0.703729 Mo\n0.776670 0.454965 0.293637 Mo\n0.549660 0.409369 0.110878 Mo\n0.784482 0.450008 0.796475 Mo\n0.547615 0.408956 0.611178 Mo\n0.409912 0.219251 0.274104 Mo\n0.411032 0.221698 0.773650 Mo\n0.275180 0.865467 0.312165 S\n0.269675 0.869078 0.810460 S\n0.380748 0.728351 0.067002 S\n0.785426 0.784588 0.392317 S\n0.380102 0.725274 0.568110 S\n0.784259 0.784985 0.892752 S\n0.868004 0.624584 0.135934 S\n0.865489 0.619121 0.638998 S\n0.133604 0.380296 0.364408 S\n0.135012 0.380145 0.861897 S\n0.215085 0.215184 0.108861 S\n0.620422 0.270695 0.434030 S\n0.215063 0.215069 0.608253 S\n0.621613 0.274356 0.932764 S\n0.724825 0.135547 0.188803 S\n0.728649 0.132919 0.688996 S\n",
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"elements": [
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"density": 5.085384144059377,
"density_atomic": 0.053635990632625384,
"volume": 559.3259236224823,
"volume_molar": 11.227798142571991,
"formula_full": "Mg2 Mo12 S16",
"formula_reduced": "Mg(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy": -230.49288382,
"energy_per_atom": -7.683096127333333,
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"updated_at": "2021-11-28T01:38:07.164000Z",
"spacegroup": 1
},
{
"id": "mp-1205526",
"created_at": "2022-09-04T14:47:28.479504Z",
"structure_string": "Tb2 Mn4 Si2 C2\n1.0\n1.865638 -5.301971 0.000000\n1.865638 5.301971 0.000000\n0.000000 0.000000 7.006475\nTb Mn Si C\n2 4 2 2\ndirect\n0.544653 0.455347 0.250000 Tb\n0.455347 0.544653 0.750000 Tb\n0.832018 0.167982 0.062107 Mn\n0.167982 0.832018 0.937893 Mn\n0.167982 0.832018 0.562107 Mn\n0.832018 0.167982 0.437893 Mn\n0.264879 0.735121 0.250000 Si\n0.735121 0.264879 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Tb",
"density": 7.401153030297184,
"density_atomic": 0.0721449107706891,
"volume": 138.60991569848585,
"volume_molar": 8.347284230680156,
"formula_full": "Tb2 Mn4 Si2 C2",
"formula_reduced": "TbMn2SiC",
"formula_anonymous": "ABCD2",
"energy": -80.13958758,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:10.583000Z",
"spacegroup": 63
},
{
"id": "mp-1223271",
"created_at": "2022-09-04T14:47:28.503641Z",
"structure_string": "La2 Fe1 Si3\n1.0\n2.021386 -3.501143 0.000000\n2.021386 3.501143 0.000000\n0.000000 0.000000 8.747969\nLa Fe Si\n2 1 3\ndirect\n0.666667 0.333333 0.742890 La\n0.666667 0.333333 0.257110 La\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.500000 Si\n0.333333 0.666667 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"Fe",
"Si"
],
"chemical_system": "Fe-La-Si",
"density": 5.604515344766756,
"density_atomic": 0.04845682072937913,
"volume": 123.82157784367867,
"volume_molar": 12.427849514998837,
"formula_full": "La2 Fe1 Si3",
"formula_reduced": "La2FeSi3",
"formula_anonymous": "AB2C3",
"energy": -37.50969248,
"energy_per_atom": -6.251615413333333,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:10.213000Z",
"spacegroup": 187
},
{
"id": "mp-757703",
"created_at": "2022-09-04T14:47:28.520148Z",
"structure_string": "Mn3 Co1 Sn2 P6 O24\n1.0\n7.378533 -4.389171 0.000000\n7.378533 4.389171 0.000000\n4.767605 0.000000 7.139854\nMn Co Sn P O\n3 1 2 6 24\ndirect\n0.348378 0.348378 0.348378 Mn\n0.150605 0.150605 0.150605 Mn\n0.649827 0.649827 0.649827 Mn\n0.848979 0.848979 0.848979 Co\n0.999170 0.999170 0.999170 Sn\n0.500162 0.500162 0.500162 Sn\n0.452871 0.751623 0.048354 P\n0.751623 0.048354 0.452871 P\n0.048354 0.452871 0.751623 P\n0.946234 0.553416 0.248842 P\n0.248842 0.946234 0.553416 P\n0.553416 0.248842 0.946234 P\n0.676139 0.904311 0.487382 O\n0.904311 0.487382 0.676139 O\n0.487382 0.676139 0.904311 O\n0.249381 0.904185 0.065586 O\n0.605042 0.826968 0.001734 O\n0.439473 0.601596 0.250450 O\n0.904185 0.065586 0.249381 O\n0.601596 0.250450 0.439473 O\n0.982207 0.403111 0.180058 O\n0.250450 0.439473 0.601596 O\n0.927761 0.754893 0.090820 O\n0.180058 0.982207 0.403111 O\n0.826968 0.001734 0.605042 O\n0.065586 0.249381 0.904185 O\n0.743440 0.572263 0.401079 O\n0.001734 0.605042 0.826968 O\n0.401079 0.743440 0.572263 O\n0.090820 0.927761 0.754893 O\n0.572263 0.401079 0.743440 O\n0.403111 0.180058 0.982207 O\n0.754893 0.090820 0.927761 O\n0.522143 0.319408 0.092085 O\n0.092085 0.522143 0.319408 O\n0.319408 0.092085 0.522143 O\n",
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"formula_full": "Mn3 Co1 Sn2 P6 O24",
"formula_reduced": "Mn3CoSn2(PO4)6",
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"energy": -277.76420467,
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"spacegroup": 146
},
{
"id": "mp-33569",
"created_at": "2022-09-04T14:47:28.387670Z",
"structure_string": "Sr2 La4 Se8\n1.0\n-4.588903 4.588903 4.583496\n4.588903 -4.588903 4.583496\n4.588903 4.588903 -4.583496\nSr La Se\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.125000 0.501256 0.876256 La\n0.625000 0.248744 0.123744 La\n0.498744 0.375000 0.623744 La\n0.751256 0.875000 0.376256 La\n0.381776 0.479628 0.249105 Se\n0.019478 0.270372 0.402149 Se\n0.230522 0.132671 0.750895 Se\n0.382671 0.980522 0.250895 Se\n0.520372 0.769478 0.902149 Se\n0.867329 0.618224 0.097851 Se\n0.729628 0.131776 0.749105 Se\n0.868224 0.617329 0.597851 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.860360790455135,
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"volume": 386.0775987211687,
"volume_molar": 16.607240312726244,
"formula_full": "Sr2 La4 Se8",
"formula_reduced": "Sr(LaSe2)2",
"formula_anonymous": "AB2C4",
"energy": -83.55126324,
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"updated_at": "2021-11-28T01:38:11.486000Z",
"spacegroup": 122
},
{
"id": "mp-1213066",
"created_at": "2022-09-04T14:47:28.399110Z",
"structure_string": "Er4 Ni4 Pb4\n1.0\n4.349675 0.000000 0.000000\n0.000000 7.108589 0.000000\n0.000000 0.000000 8.066518\nEr Ni Pb\n4 4 4\ndirect\n0.250000 0.515199 0.185266 Er\n0.750000 0.484801 0.814734 Er\n0.750000 0.984801 0.685266 Er\n0.250000 0.015199 0.314734 Er\n0.250000 0.765562 0.890492 Ni\n0.750000 0.234438 0.109508 Ni\n0.750000 0.734438 0.390492 Ni\n0.250000 0.265562 0.609508 Ni\n0.250000 0.669572 0.572529 Pb\n0.750000 0.330428 0.427471 Pb\n0.750000 0.830428 0.072529 Pb\n0.250000 0.169572 0.927471 Pb\n",
"nsites": 12,
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"elements": [
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],
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"density": 11.53515655076734,
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"volume": 249.41715487812874,
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"formula_full": "Er4 Ni4 Pb4",
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"updated_at": "2021-11-28T01:38:09.117000Z",
"spacegroup": 62
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{
"id": "mp-777686",
"created_at": "2022-09-04T14:47:22.571138Z",
"structure_string": "Li9 Mn3 W7 O28\n1.0\n6.076917 -6.072521 0.000000\n6.076917 6.072521 0.000000\n0.008790 0.000000 8.590946\nLi Mn W O\n9 3 7 28\ndirect\n0.903878 0.359772 0.643621 Li\n0.903878 0.643621 0.359772 Li\n0.643621 0.359772 0.903878 Li\n0.643621 0.903878 0.359772 Li\n0.354074 0.093145 0.354074 Li\n0.354074 0.354074 0.093145 Li\n0.359772 0.643621 0.903878 Li\n0.359772 0.903878 0.643621 Li\n0.093145 0.354074 0.354074 Li\n0.640456 0.094637 0.640456 Mn\n0.640456 0.640456 0.094637 Mn\n0.094637 0.640456 0.640456 Mn\n0.641143 0.358521 0.358521 W\n0.641961 0.641961 0.641961 W\n0.358521 0.358521 0.641143 W\n0.358521 0.641143 0.358521 W\n0.003289 0.003289 0.496568 W\n0.003289 0.496568 0.003289 W\n0.496568 0.003289 0.003289 W\n0.849809 0.382352 0.382352 O\n0.858433 0.612026 0.612026 O\n0.881177 0.127640 0.619476 O\n0.881177 0.619476 0.127640 O\n0.879882 0.379671 0.879882 O\n0.879882 0.879882 0.379671 O\n0.619476 0.127640 0.881177 O\n0.619476 0.881177 0.127640 O\n0.608223 0.385615 0.608223 O\n0.608223 0.608223 0.385615 O\n0.615345 0.146756 0.385231 O\n0.615345 0.385231 0.146756 O\n0.612026 0.612026 0.858433 O\n0.612026 0.858433 0.612026 O\n0.385231 0.146756 0.615345 O\n0.385231 0.615345 0.146756 O\n0.382352 0.382352 0.849809 O\n0.382352 0.849809 0.382352 O\n0.392459 0.392459 0.392459 O\n0.385615 0.608223 0.608223 O\n0.375339 0.123892 0.123892 O\n0.379671 0.879882 0.879882 O\n0.123892 0.123892 0.375339 O\n0.123892 0.375339 0.123892 O\n0.127640 0.619476 0.881177 O\n0.127640 0.881177 0.619476 O\n0.146756 0.385231 0.615345 O\n0.146756 0.615345 0.385231 O\n",
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],
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"formula_full": "Li9 Mn3 W7 O28",
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},
{
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],
"chemical_system": "H-Na-O-S-Zn",
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"formula_full": "Na4 Zn2 H8 S4 O16",
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"spacegroup": 14
},
{
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"formula_full": "Zr2 Cu1 Re1",
"formula_reduced": "Zr2CuRe",
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"updated_at": "2021-11-28T01:38:11.801000Z",
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}
]
}