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{
"id": "mp-1245248",
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"spacegroup": 1
},
{
"id": "mp-753336",
"created_at": "2022-09-04T14:39:19.844344Z",
"structure_string": "Li3 Fe2 C4 O12\n1.0\n5.547264 0.000000 0.000000\n-2.752038 -5.527821 0.000000\n-2.484727 0.363668 -8.111376\nLi Fe C O\n3 2 4 12\ndirect\n0.464147 0.918027 0.334586 Li\n0.210582 0.074889 0.652174 Li\n0.296100 0.560257 0.859027 Li\n0.673430 0.494733 0.496079 Fe\n0.906507 0.019457 0.004855 Fe\n0.366407 0.420659 0.208906 C\n0.914941 0.917199 0.295128 C\n0.696087 0.078170 0.705089 C\n0.736013 0.588818 0.796490 C\n0.194338 0.356102 0.056402 O\n0.589688 0.388728 0.251224 O\n0.111614 0.934578 0.234976 O\n0.709209 0.949908 0.189055 O\n0.917495 0.874627 0.446576 O\n0.308490 0.513204 0.315267 O\n0.586478 0.113332 0.555940 O\n0.945639 0.598125 0.751639 O\n0.554963 0.022315 0.814901 O\n0.951008 0.098471 0.760821 O\n0.486878 0.492993 0.693025 O\n0.765707 0.675092 0.938087 O\n",
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{
"id": "mp-761181",
"created_at": "2022-09-04T14:39:19.647053Z",
"structure_string": "Li12 V8 O16 F8\n1.0\n5.222804 0.000000 0.000000\n-0.179901 5.968536 0.000000\n-0.190454 -0.300565 14.937993\nLi V O F\n12 8 16 8\ndirect\n0.709452 0.992176 0.837484 Li\n0.662839 0.002442 0.333273 Li\n0.331363 0.998225 0.707090 Li\n0.159155 0.743279 0.333831 Li\n0.153804 0.772614 0.837205 Li\n0.526941 0.758687 0.974379 Li\n0.690871 0.510232 0.821122 Li\n0.992298 0.479344 0.960843 Li\n0.323198 0.503996 0.702191 Li\n0.153775 0.259063 0.334529 Li\n0.457736 0.244552 0.955438 Li\n0.862903 0.243994 0.701508 Li\n0.996756 0.999485 0.504450 V\n0.329462 0.999851 0.162815 V\n0.496471 0.750570 0.496273 V\n0.825544 0.744995 0.170824 V\n0.999248 0.501423 0.499608 V\n0.338564 0.500839 0.172890 V\n0.504494 0.250400 0.496569 V\n0.836004 0.247273 0.166878 V\n0.668184 0.009746 0.563406 O\n0.656516 0.985370 0.101857 O\n0.995957 0.991368 0.242232 O\n0.333696 0.010096 0.423292 O\n0.173041 0.754561 0.565621 O\n0.165643 0.756181 0.106890 O\n0.504518 0.766900 0.242217 O\n0.846525 0.770839 0.427549 O\n0.654670 0.485515 0.560358 O\n0.680386 0.514622 0.101877 O\n0.005539 0.502283 0.242492 O\n0.317052 0.494364 0.425020 O\n0.172089 0.236655 0.565372 O\n0.168440 0.249005 0.102876 O\n0.490899 0.233605 0.238792 O\n0.832134 0.235503 0.427282 O\n0.002108 0.997426 0.751587 F\n0.365260 0.974496 0.912761 F\n0.480459 0.748808 0.759291 F\n0.834224 0.731633 0.909856 F\n0.002573 0.505111 0.749212 F\n0.327538 0.516227 0.931344 F\n0.523594 0.259945 0.736998 F\n0.781412 0.266304 0.909284 F\n",
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{
"id": "mp-760173",
"created_at": "2022-09-04T14:39:19.643314Z",
"structure_string": "Na1 V24 O58\n1.0\n7.348231 0.000000 0.000000\n-3.672952 10.338752 0.000000\n-1.843461 -2.581395 14.042204\nNa V O\n1 24 58\ndirect\n0.404459 0.557716 0.505988 Na\n0.272818 0.132637 0.825668 V\n0.771469 0.130188 0.825731 V\n0.422703 0.907317 0.878440 V\n0.923720 0.907111 0.878475 V\n0.923955 0.455457 0.784623 V\n0.423153 0.454636 0.783421 V\n0.253401 0.655212 0.710565 V\n0.757085 0.655190 0.710384 V\n0.255758 0.208927 0.604291 V\n0.754172 0.205622 0.607083 V\n0.396787 0.970939 0.643505 V\n0.896086 0.971409 0.643081 V\n0.103220 0.029562 0.357038 V\n0.605609 0.033207 0.354629 V\n0.746747 0.797952 0.396407 V\n0.245432 0.792765 0.395732 V\n0.241645 0.340636 0.286669 V\n0.748163 0.348784 0.293361 V\n0.077083 0.545611 0.216374 V\n0.576180 0.544655 0.215879 V\n0.076375 0.092055 0.120322 V\n0.575485 0.091456 0.120001 V\n0.227132 0.867046 0.173487 V\n0.727137 0.867925 0.173510 V\n0.341914 0.218374 0.930891 O\n0.841892 0.218414 0.930214 O\n0.000036 0.999965 0.999928 O\n0.499740 0.999591 0.000047 O\n0.465173 0.481966 0.896751 O\n0.964611 0.480166 0.897954 O\n0.349596 0.753528 0.890189 O\n0.848902 0.753391 0.890241 O\n0.493887 0.087671 0.799856 O\n0.993275 0.087118 0.799091 O\n0.190664 0.951663 0.859072 O\n0.690354 0.951297 0.859115 O\n0.323274 0.270062 0.752732 O\n0.821798 0.268502 0.750165 O\n0.176228 0.477689 0.752726 O\n0.677887 0.477713 0.752741 O\n0.174085 0.015528 0.665548 O\n0.671807 0.009021 0.668275 O\n0.001220 0.629859 0.745109 O\n0.499688 0.628928 0.740660 O\n0.346369 0.833441 0.726572 O\n0.850144 0.833120 0.726564 O\n0.487636 0.152044 0.610678 O\n0.969472 0.151413 0.610668 O\n0.331176 0.364857 0.594522 O\n0.826402 0.356861 0.592703 O\n0.200746 0.614701 0.595949 O\n0.711862 0.614864 0.595685 O\n0.178183 0.122499 0.467345 O\n0.677262 0.122070 0.465242 O\n0.819644 0.876190 0.530976 O\n0.323213 0.878160 0.532809 O\n0.287630 0.374327 0.401351 O\n0.795876 0.388136 0.406976 O\n0.183521 0.638268 0.407274 O\n0.663031 0.643867 0.407436 O\n0.012035 0.848030 0.388124 O\n0.530318 0.850380 0.388268 O\n0.149233 0.163509 0.270547 O\n0.652275 0.165204 0.276566 O\n0.997976 0.370057 0.257131 O\n0.500651 0.369929 0.257141 O\n0.335626 0.987159 0.334750 O\n0.820337 0.988877 0.333628 O\n0.322935 0.521178 0.247592 O\n0.823766 0.523418 0.249573 O\n0.677790 0.730886 0.249262 O\n0.176641 0.730226 0.247394 O\n0.808802 0.047837 0.141057 O\n0.309705 0.047910 0.141240 O\n0.006196 0.911823 0.201010 O\n0.505851 0.911641 0.199657 O\n0.151018 0.246926 0.110170 O\n0.650118 0.245384 0.109430 O\n0.034331 0.518441 0.103152 O\n0.535508 0.518336 0.102706 O\n0.157951 0.780681 0.068524 O\n0.656961 0.780591 0.068958 O\n",
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{
"id": "mp-1245185",
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"density": 0.8792189412677649,
"density_atomic": 0.03031777620245957,
"volume": 428.7913438369321,
"volume_molar": 19.86339868658126,
"formula_full": "B1 H2 S3 N3 F4",
"formula_reduced": "BH2S3N3F4",
"formula_anonymous": "AB2C3D3E4",
"energy": -73.96173289,
"energy_per_atom": -5.689364068461538,
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"is_stable": null,
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"energy_uncorrected": -71.03073289,
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"is_magnetic": false,
"total_magnetization": 2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.763000Z",
"spacegroup": 1
},
{
"id": "mp-656615",
"created_at": "2022-09-04T14:39:19.952516Z",
"structure_string": "Rb8\n1.0\n8.112322 0.000000 0.000000\n-0.633540 8.307015 0.000000\n-3.695750 -4.080828 10.682886\nRb\n8\ndirect\n0.428549 0.712400 0.870373 Rb\n0.060552 0.832965 0.131313 Rb\n0.310252 0.105845 0.621780 Rb\n0.560666 0.299524 0.125747 Rb\n0.687862 0.893596 0.382903 Rb\n0.179476 0.472270 0.369473 Rb\n0.934516 0.159949 0.870119 Rb\n0.807996 0.515216 0.626646 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5771131040328392,
"density_atomic": 0.011112485766813288,
"volume": 719.9109333297395,
"volume_molar": 54.19256218968333,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.66073231,
"energy_per_atom": -0.95759153875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -7.66073231,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:40.288000Z",
"spacegroup": 1
}
]
}