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{
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"results": [
{
"id": "mp-16251",
"created_at": "2022-09-04T14:44:30.949625Z",
"structure_string": "Yb1 Si2 Au2\n1.0\n-2.184098 2.184098 5.005283\n2.184098 -2.184098 5.005283\n2.184098 2.184098 -5.005283\nYb Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.615002 0.615002 0.000000 Si\n0.384999 0.384999 0.000000 Si\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
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{
"id": "mp-1209668",
"created_at": "2022-09-04T14:44:31.144721Z",
"structure_string": "Sr6 H10 Os4 O16\n1.0\n5.715146 -0.112582 -1.369256\n-3.745487 8.632115 -3.364704\n0.239051 0.052545 10.917478\nSr H Os O\n6 10 4 16\ndirect\n0.186704 0.241156 0.653276 Sr\n0.813296 0.758844 0.346724 Sr\n0.608345 0.353392 0.402378 Sr\n0.391655 0.646608 0.597622 Sr\n0.256415 0.864447 0.081135 Sr\n0.743585 0.135553 0.918865 Sr\n0.304497 0.989789 0.687658 H\n0.695503 0.010211 0.312342 H\n0.006683 0.241531 0.371912 H\n0.993317 0.758469 0.628088 H\n0.084483 0.430958 0.834995 H\n0.915517 0.569042 0.165005 H\n0.239133 0.328581 0.142529 H\n0.760867 0.671419 0.857471 H\n0.255185 0.752517 0.388332 H\n0.744815 0.247483 0.611668 H\n0.948474 0.057260 0.255110 Os\n0.051526 0.942740 0.744890 Os\n0.180107 0.574462 0.264025 Os\n0.819893 0.425538 0.735975 Os\n0.103342 0.361483 0.114543 O\n0.896658 0.638517 0.885457 O\n0.727615 0.086995 0.135552 O\n0.272385 0.913005 0.864448 O\n0.490031 0.559387 0.378751 O\n0.509969 0.440613 0.621249 O\n0.016680 0.489552 0.642497 O\n0.983320 0.510448 0.357503 O\n0.239610 0.128617 0.203726 O\n0.760390 0.871383 0.796274 O\n0.346327 0.684078 0.186816 O\n0.653673 0.315922 0.813184 O\n0.123269 0.056535 0.415503 O\n0.876731 0.943465 0.584497 O\n0.133452 0.158326 0.844563 O\n0.866548 0.841674 0.155437 O\n",
"nsites": 36,
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"elements": [
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"H",
"Os",
"O"
],
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"density": 4.790726422836143,
"density_atomic": 0.06689050583398536,
"volume": 538.192970006056,
"volume_molar": 9.0029828372748,
"formula_full": "Sr6 H10 Os4 O16",
"formula_reduced": "Sr3H5(OsO4)2",
"formula_anonymous": "A2B3C5D8",
"energy": -225.16386754,
"energy_per_atom": -6.254551876111112,
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"updated_at": "2021-11-28T01:36:42.310000Z",
"spacegroup": 2
},
{
"id": "mp-1245382",
"created_at": "2022-09-04T14:44:31.248123Z",
"structure_string": "Ca28 V4 N24\n1.0\n11.135061 -0.000000 0.000000\n-0.000000 6.327638 0.000000\n0.000000 0.000000 12.927238\nCa V N\n28 4 24\ndirect\n0.035790 0.729105 0.980682 Ca\n0.464210 0.770895 0.480682 Ca\n0.535790 0.770895 0.019318 Ca\n0.964210 0.729105 0.519318 Ca\n0.964210 0.270895 0.019318 Ca\n0.535790 0.229105 0.519318 Ca\n0.464210 0.229105 0.980682 Ca\n0.035790 0.270895 0.480682 Ca\n0.231503 0.841307 0.628467 Ca\n0.268497 0.658693 0.128467 Ca\n0.731503 0.658693 0.371533 Ca\n0.768497 0.841307 0.871533 Ca\n0.768497 0.158693 0.371533 Ca\n0.731503 0.341307 0.871533 Ca\n0.268497 0.341307 0.628467 Ca\n0.231503 0.158693 0.128467 Ca\n0.286740 0.609902 0.880429 Ca\n0.213260 0.890098 0.380429 Ca\n0.786740 0.890098 0.119571 Ca\n0.713260 0.609902 0.619571 Ca\n0.713260 0.390098 0.119571 Ca\n0.786740 0.109902 0.619571 Ca\n0.213260 0.109902 0.880429 Ca\n0.286740 0.390098 0.380429 Ca\n0.000000 0.451325 0.750000 Ca\n0.500000 0.048675 0.250000 Ca\n0.000000 0.548675 0.250000 Ca\n0.500000 0.951325 0.750000 Ca\n0.000000 0.950134 0.750000 V\n0.500000 0.549866 0.250000 V\n0.000000 0.049866 0.250000 V\n0.500000 0.450134 0.750000 V\n0.121580 0.777210 0.799672 N\n0.378420 0.722790 0.299672 N\n0.621580 0.722790 0.200328 N\n0.878420 0.777210 0.700328 N\n0.878420 0.222790 0.200328 N\n0.621580 0.277210 0.700328 N\n0.378420 0.277210 0.799672 N\n0.121580 0.222790 0.299672 N\n0.163046 0.587770 0.504376 N\n0.336954 0.912230 0.004376 N\n0.663046 0.912230 0.495624 N\n0.836954 0.587770 0.995624 N\n0.836954 0.412230 0.495624 N\n0.663046 0.087770 0.995624 N\n0.336954 0.087770 0.504376 N\n0.163046 0.412230 0.004376 N\n0.435967 0.618397 0.648322 N\n0.064033 0.881603 0.148322 N\n0.935967 0.881603 0.351678 N\n0.564033 0.618397 0.851678 N\n0.564033 0.381603 0.351678 N\n0.935967 0.118397 0.851678 N\n0.064033 0.118397 0.648322 N\n0.435967 0.381603 0.148322 N\n",
"nsites": 56,
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"elements": [
"Ca",
"V",
"N"
],
"chemical_system": "Ca-N-V",
"density": 3.0301846811576474,
"density_atomic": 0.061482009885373605,
"volume": 910.8355452986295,
"volume_molar": 9.794964041070898,
"formula_full": "Ca28 V4 N24",
"formula_reduced": "Ca7VN6",
"formula_anonymous": "AB6C7",
"energy": -353.3883736,
"energy_per_atom": -6.310506671428572,
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"updated_at": "2021-11-28T01:36:44.931000Z",
"spacegroup": 60
},
{
"id": "mp-504891",
"created_at": "2022-09-04T14:44:31.249688Z",
"structure_string": "La6 Mn2 Ga2 S14\n1.0\n5.132512 -8.889771 0.000000\n5.132512 8.889771 0.000000\n0.000000 0.000000 6.074695\nLa Mn Ga S\n6 2 2 14\ndirect\n0.139282 0.374290 0.000596 La\n0.764992 0.139282 0.500596 La\n0.374290 0.235008 0.500596 La\n0.625710 0.764992 0.000596 La\n0.235008 0.860718 0.000596 La\n0.860718 0.625710 0.500596 La\n0.000000 0.000000 0.227068 Mn\n0.000000 0.000000 0.727068 Mn\n0.666667 0.333333 0.081242 Ga\n0.333333 0.666667 0.581242 Ga\n0.234692 0.146194 0.965351 S\n0.088498 0.234692 0.465351 S\n0.146194 0.911502 0.465351 S\n0.853806 0.088498 0.965351 S\n0.911502 0.765308 0.965351 S\n0.765308 0.853806 0.465351 S\n0.517116 0.098726 0.231441 S\n0.418390 0.517116 0.731441 S\n0.098726 0.581610 0.731441 S\n0.901274 0.418390 0.231441 S\n0.581610 0.482884 0.231441 S\n0.482884 0.901274 0.731441 S\n0.333333 0.666667 0.210226 S\n0.666667 0.333333 0.710226 S\n",
"nsites": 24,
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"elements": [
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"Ga",
"S"
],
"chemical_system": "Ga-La-Mn-S",
"density": 4.5881524521104575,
"density_atomic": 0.043294848199396586,
"volume": 554.3384720848726,
"volume_molar": 13.909601281576807,
"formula_full": "La6 Mn2 Ga2 S14",
"formula_reduced": "La3MnGaS7",
"formula_anonymous": "ABC3D7",
"energy": -158.21085032,
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"updated_at": "2021-11-28T01:36:41.966000Z",
"spacegroup": 173
},
{
"id": "mp-1078552",
"created_at": "2022-09-04T14:44:31.251266Z",
"structure_string": "Li2 H6 Pt1\n1.0\n0.000000 3.375820 3.375820\n3.375820 0.000000 3.375820\n3.375820 3.375820 0.000000\nLi H Pt\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.756016 0.756016 0.243984 H\n0.243984 0.756016 0.243984 H\n0.756016 0.243984 0.243984 H\n0.243984 0.243984 0.756016 H\n0.756016 0.243984 0.756016 H\n0.243984 0.756016 0.756016 H\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"H",
"Pt"
],
"chemical_system": "H-Li-Pt",
"density": 4.64031291551786,
"density_atomic": 0.11697004804726086,
"volume": 76.94277424220274,
"volume_molar": 5.148446855016082,
"formula_full": "Li2 H6 Pt1",
"formula_reduced": "Li2H6Pt",
"formula_anonymous": "AB2C6",
"energy": -33.44517926,
"energy_per_atom": -3.7161310288888894,
"energy_above_hull": null,
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"energy_uncorrected": -33.44517926,
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"updated_at": "2021-11-28T01:36:38.647000Z",
"spacegroup": 225
},
{
"id": "mp-1210338",
"created_at": "2022-09-04T14:44:31.260376Z",
"structure_string": "Na4 Mg12 Si12 H4 O40\n1.0\n8.891405 0.094947 1.022167\n3.715895 8.021762 4.070653\n-0.022259 -0.106389 10.409907\nNa Mg Si H O\n4 12 12 4 40\ndirect\n0.000000 0.500000 0.500000 Na\n0.164446 0.147874 0.542754 Na\n0.835554 0.852126 0.457246 Na\n0.500000 0.000000 0.000000 Na\n0.367056 0.334912 0.443799 Mg\n0.632944 0.665088 0.556201 Mg\n0.258045 0.268537 0.742627 Mg\n0.741955 0.731463 0.257373 Mg\n0.064283 0.059093 0.350870 Mg\n0.935717 0.940907 0.649130 Mg\n0.659259 0.634352 0.042202 Mg\n0.340741 0.365648 0.957798 Mg\n0.045286 0.058389 0.843900 Mg\n0.954714 0.941611 0.156100 Mg\n0.150733 0.164120 0.055736 Mg\n0.849267 0.835880 0.944264 Mg\n0.253849 0.653479 0.548514 Si\n0.746151 0.346521 0.451486 Si\n0.439347 0.055780 0.300954 Si\n0.560653 0.944220 0.699046 Si\n0.232510 0.659415 0.057126 Si\n0.767490 0.340585 0.942874 Si\n0.664771 0.238617 0.243709 Si\n0.335229 0.761383 0.756291 Si\n0.354677 0.753726 0.250549 Si\n0.645323 0.246274 0.749451 Si\n0.058350 0.438868 0.192466 Si\n0.941650 0.561132 0.807534 Si\n0.657463 0.053057 0.078340 H\n0.342537 0.946943 0.921660 H\n0.059792 0.640718 0.305130 H\n0.940208 0.359282 0.694870 H\n0.142892 0.401817 0.340920 O\n0.857108 0.598183 0.659080 O\n0.066014 0.831934 0.009505 O\n0.933986 0.168066 0.990495 O\n0.125275 0.392628 0.869946 O\n0.874725 0.607372 0.130054 O\n0.505980 0.195345 0.315104 O\n0.494020 0.804655 0.684896 O\n0.245898 0.483042 0.563705 O\n0.754102 0.516958 0.436295 O\n0.652377 0.378670 0.301553 O\n0.347623 0.621330 0.698447 O\n0.626321 0.336767 0.064531 O\n0.373679 0.663233 0.935469 O\n0.389662 0.678132 0.424936 O\n0.610338 0.321868 0.575064 O\n0.185064 0.928922 0.206321 O\n0.814936 0.071078 0.793679 O\n0.388856 0.143630 0.127506 O\n0.611144 0.856370 0.872494 O\n0.521745 0.750132 0.168856 O\n0.478255 0.249867 0.831144 O\n0.040781 0.286359 0.180560 O\n0.959219 0.713641 0.819440 O\n0.255649 0.054889 0.913203 O\n0.744351 0.945111 0.086797 O\n0.198118 0.498937 0.074288 O\n0.801882 0.501063 0.925712 O\n0.399257 0.129104 0.635106 O\n0.600743 0.870896 0.364894 O\n0.288041 0.042937 0.392759 O\n0.711959 0.957063 0.607241 O\n0.087890 0.826603 0.514325 O\n0.912110 0.173397 0.485675 O\n0.312245 0.620278 0.211180 O\n0.687755 0.379722 0.788820 O\n0.841837 0.082024 0.273866 O\n0.158163 0.917976 0.726134 O\n0.041505 0.267471 0.690052 O\n0.958495 0.732529 0.309948 O\n",
"nsites": 72,
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"O"
],
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"density_atomic": 0.09697863770604982,
"volume": 742.431546813824,
"volume_molar": 6.209760110524136,
"formula_full": "Na4 Mg12 Si12 H4 O40",
"formula_reduced": "NaMg3Si3HO10",
"formula_anonymous": "ABC3D3E10",
"energy": -509.8942255,
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"updated_at": "2021-11-28T01:36:44.648000Z",
"spacegroup": 2
},
{
"id": "mp-1111414",
"created_at": "2022-09-04T14:44:31.754843Z",
"structure_string": "K2 Ti1 Tl1 F6\n1.0\n0.000000 4.625030 4.625030\n4.625030 0.000000 4.625030\n4.625030 4.625030 0.000000\nK Ti Tl F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Tl\n0.785313 0.214687 0.214687 F\n0.214687 0.214687 0.785313 F\n0.214687 0.785313 0.785313 F\n0.214687 0.785313 0.214687 F\n0.785313 0.214687 0.785313 F\n0.785313 0.785313 0.214687 F\n",
"nsites": 10,
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"elements": [
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"Ti",
"Tl",
"F"
],
"chemical_system": "F-K-Ti-Tl",
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"density_atomic": 0.05053896480820567,
"volume": 197.86713158747503,
"volume_molar": 11.915837181972169,
"formula_full": "K2 Ti1 Tl1 F6",
"formula_reduced": "K2TiTlF6",
"formula_anonymous": "ABC2D6",
"energy": -54.32368633,
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"updated_at": "2021-11-28T01:36:39.394000Z",
"spacegroup": 225
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{
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