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{
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"results": [
{
"id": "mp-1218601",
"created_at": "2022-09-04T14:45:54.153115Z",
"structure_string": "Sr3 Ca1 Ni2 W2 O12\n1.0\n5.623330 -0.005066 -0.000326\n-0.005062 5.651136 -0.004817\n-0.005079 -0.006578 7.957696\nSr Ca Ni W O\n3 1 2 2 12\ndirect\n0.493754 0.971343 0.749128 Sr\n0.004211 0.475851 0.750030 Sr\n0.504127 0.025440 0.250810 Sr\n0.993871 0.538616 0.248428 Ca\n0.999964 0.001345 0.001260 Ni\n0.499745 0.498979 0.497968 Ni\n0.498627 0.499530 0.002993 W\n0.001465 0.999893 0.497464 W\n0.058743 0.969915 0.257566 O\n0.558748 0.502121 0.760854 O\n0.939763 0.017609 0.739282 O\n0.421187 0.494924 0.241917 O\n0.210168 0.728029 0.533114 O\n0.712017 0.769892 0.032759 O\n0.800169 0.277446 0.456676 O\n0.293099 0.225267 0.970637 O\n0.275536 0.207627 0.526157 O\n0.775494 0.296072 0.043337 O\n0.729083 0.787663 0.471514 O\n0.230228 0.712436 0.968108 O\n",
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"formula_full": "Sr3 Ca1 Ni2 W2 O12",
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"spacegroup": 1
},
{
"id": "mp-768771",
"created_at": "2022-09-04T14:45:56.897295Z",
"structure_string": "Li12 Bi4 B8 O24\n1.0\n9.188294 0.000000 0.000000\n0.000000 5.321280 0.000000\n0.000000 5.071281 10.881283\nLi Bi B O\n12 4 8 24\ndirect\n0.973362 0.518466 0.324133 Li\n0.651865 0.444214 0.386714 Li\n0.985081 0.925307 0.904560 Li\n0.151865 0.555786 0.113286 Li\n0.485081 0.074693 0.595440 Li\n0.473362 0.481534 0.175867 Li\n0.526638 0.518466 0.824133 Li\n0.514919 0.925307 0.404560 Li\n0.848135 0.444214 0.886714 Li\n0.014919 0.074693 0.095440 Li\n0.348135 0.555786 0.613286 Li\n0.026638 0.481534 0.675867 Li\n0.326518 0.973206 0.876136 Bi\n0.826518 0.026794 0.623864 Bi\n0.173482 0.973206 0.376136 Bi\n0.673482 0.026794 0.123864 Bi\n0.330987 0.461255 0.380321 B\n0.675866 0.963778 0.868380 B\n0.830987 0.538745 0.119679 B\n0.175866 0.036222 0.631620 B\n0.824134 0.963778 0.368380 B\n0.169013 0.461255 0.880321 B\n0.324134 0.036222 0.131620 B\n0.669013 0.538745 0.619679 B\n0.330598 0.813481 0.098834 O\n0.634949 0.333850 0.580124 O\n0.939660 0.714865 0.124082 O\n0.051616 0.173711 0.639268 O\n0.306979 0.129655 0.660160 O\n0.686640 0.558150 0.153410 O\n0.186640 0.441850 0.346590 O\n0.806979 0.870345 0.839840 O\n0.551616 0.826289 0.860732 O\n0.439660 0.285135 0.375918 O\n0.830598 0.186519 0.401166 O\n0.134949 0.666150 0.919876 O\n0.865051 0.333850 0.080124 O\n0.169402 0.813481 0.598834 O\n0.560340 0.714865 0.624082 O\n0.448384 0.173711 0.139268 O\n0.193021 0.129655 0.160160 O\n0.813360 0.558150 0.653410 O\n0.313360 0.441850 0.846590 O\n0.693021 0.870345 0.339840 O\n0.948384 0.826289 0.360732 O\n0.060340 0.285135 0.875918 O\n0.365051 0.666150 0.419876 O\n0.669402 0.186519 0.901166 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
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"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Li-O",
"density": 4.337455724602618,
"density_atomic": 0.09022151951150402,
"volume": 532.0238481893401,
"volume_molar": 6.674838544735578,
"formula_full": "Li12 Bi4 B8 O24",
"formula_reduced": "Li3Bi(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -327.56287512,
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"updated_at": "2021-11-28T01:37:11.171000Z",
"spacegroup": 14
},
{
"id": "mp-18050",
"created_at": "2022-09-04T14:45:42.668769Z",
"structure_string": "Li12 Mo6 O24\n1.0\n5.321931 -7.304235 0.000000\n5.321931 7.304235 0.000000\n-4.702971 0.000000 7.717309\nLi Mo O\n12 6 24\ndirect\n0.628711 0.223929 0.393442 Li\n0.933024 0.702565 0.107599 Li\n0.066976 0.297435 0.892401 Li\n0.393442 0.628711 0.223929 Li\n0.107599 0.933024 0.702565 Li\n0.702565 0.107599 0.933024 Li\n0.606558 0.371289 0.776071 Li\n0.223929 0.393442 0.628711 Li\n0.297435 0.892401 0.066976 Li\n0.776071 0.606558 0.371289 Li\n0.892401 0.066976 0.297435 Li\n0.371289 0.776071 0.606558 Li\n0.964085 0.555300 0.732319 Mo\n0.035915 0.444700 0.267681 Mo\n0.555300 0.732319 0.964085 Mo\n0.267681 0.035915 0.444700 Mo\n0.732319 0.964085 0.555300 Mo\n0.444700 0.267681 0.035915 Mo\n0.810443 0.471814 0.510109 O\n0.816977 0.116479 0.777701 O\n0.510109 0.810443 0.471814 O\n0.459978 0.138574 0.151648 O\n0.848352 0.540022 0.861426 O\n0.861426 0.848352 0.540022 O\n0.222299 0.183023 0.883521 O\n0.489891 0.189557 0.528186 O\n0.777701 0.816977 0.116479 O\n0.250690 0.921190 0.574017 O\n0.883521 0.222299 0.183023 O\n0.116479 0.777701 0.816977 O\n0.471814 0.510109 0.810443 O\n0.189557 0.528186 0.489891 O\n0.138574 0.151648 0.459978 O\n0.183023 0.883521 0.222299 O\n0.921190 0.574017 0.250690 O\n0.528186 0.489891 0.189557 O\n0.540022 0.861426 0.848352 O\n0.749310 0.078810 0.425983 O\n0.151648 0.459978 0.138574 O\n0.425983 0.749310 0.078810 O\n0.574017 0.250690 0.921190 O\n0.078810 0.425983 0.749310 O\n",
"nsites": 42,
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"elements": [
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"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 2.8864180505560597,
"density_atomic": 0.07000183557586294,
"volume": 599.9842669051646,
"volume_molar": 8.602832640686454,
"formula_full": "Li12 Mo6 O24",
"formula_reduced": "Li2MoO4",
"formula_anonymous": "AB2C4",
"energy": -302.67256447,
"energy_per_atom": -7.206489630238095,
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"updated_at": "2021-11-28T01:37:13.981000Z",
"spacegroup": 148
},
{
"id": "mp-1521569",
"created_at": "2022-09-04T14:45:57.243135Z",
"structure_string": "Ba2 Ca2 Ce2 Hf2 O12\n1.0\n5.949411 0.001665 -0.016191\n0.000066 6.010817 -0.015207\n-0.023820 -0.022350 8.497271\nBa Ca Ce Hf O\n2 2 2 2 12\ndirect\n0.506053 0.529522 0.250191 Ba\n0.493947 0.470478 0.749809 Ba\n0.992978 0.036012 0.252721 Ca\n0.007022 0.963988 0.747279 Ca\n-0.000000 0.500000 -0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.500000 -0.000000 -0.000000 Hf\n-0.000000 0.500000 0.500000 Hf\n0.215751 0.195238 0.939466 O\n0.280470 0.702952 0.526988 O\n0.784249 0.804762 0.060534 O\n0.719530 0.297048 0.473012 O\n0.296950 0.720580 0.967654 O\n0.190684 0.211548 0.557301 O\n0.703050 0.279420 0.032346 O\n0.809316 0.788452 0.442699 O\n0.397072 0.003469 0.239351 O\n0.061811 0.437696 0.260321 O\n0.602928 0.996531 0.760649 O\n0.938189 0.562304 0.739679 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Ca",
"Ce",
"Hf",
"O"
],
"chemical_system": "Ba-Ca-Ce-Hf-O",
"density": 6.4703159004804345,
"density_atomic": 0.0658186926849645,
"volume": 303.865044778818,
"volume_molar": 9.149590358508725,
"formula_full": "Ba2 Ca2 Ce2 Hf2 O12",
"formula_reduced": "BaCaCeHfO6",
"formula_anonymous": "ABCDE6",
"energy": -172.00209059,
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"updated_at": "2021-11-28T01:37:07.880000Z",
"spacegroup": 2
},
{
"id": "mp-774753",
"created_at": "2022-09-04T14:45:54.736521Z",
"structure_string": "Li40 Ga8 O32\n1.0\n9.098802 0.000000 0.000000\n0.000000 9.110797 0.000000\n0.000000 0.000000 9.617968\nLi Ga O\n40 8 32\ndirect\n0.393228 0.167771 0.129005 Li\n0.893228 0.167771 0.370995 Li\n0.105711 0.117632 0.867599 Li\n0.605711 0.117632 0.632401 Li\n0.374510 0.151211 0.866825 Li\n0.874510 0.151211 0.633175 Li\n0.167919 0.117056 0.394004 Li\n0.667919 0.117056 0.105996 Li\n0.143911 0.096606 0.628704 Li\n0.643911 0.096606 0.871296 Li\n0.143911 0.403394 0.128704 Li\n0.643911 0.403394 0.371296 Li\n0.167919 0.382944 0.894004 Li\n0.667919 0.382944 0.605996 Li\n0.374510 0.348789 0.366825 Li\n0.874510 0.348789 0.133175 Li\n0.105711 0.382368 0.367599 Li\n0.605711 0.382368 0.132401 Li\n0.393228 0.332229 0.629005 Li\n0.893228 0.332229 0.870995 Li\n0.106772 0.667771 0.129005 Li\n0.606772 0.667771 0.370995 Li\n0.894289 0.617632 0.632401 Li\n0.394289 0.617632 0.867599 Li\n0.625490 0.651211 0.633175 Li\n0.125490 0.651211 0.866825 Li\n0.332081 0.617056 0.394004 Li\n0.832081 0.617056 0.105996 Li\n0.356089 0.596606 0.628704 Li\n0.856089 0.596606 0.871296 Li\n0.356089 0.903394 0.128704 Li\n0.856089 0.903394 0.371296 Li\n0.832081 0.882944 0.605996 Li\n0.332081 0.882944 0.894004 Li\n0.625490 0.848789 0.133175 Li\n0.125490 0.848789 0.366825 Li\n0.894289 0.882368 0.132401 Li\n0.394289 0.882368 0.367599 Li\n0.106772 0.832229 0.629005 Li\n0.606772 0.832229 0.870995 Li\n0.114246 0.121764 0.131027 Ga\n0.614246 0.121764 0.368973 Ga\n0.114246 0.378236 0.631027 Ga\n0.614246 0.378236 0.868973 Ga\n0.385754 0.621764 0.131027 Ga\n0.885754 0.621764 0.368973 Ga\n0.385754 0.878236 0.631027 Ga\n0.885754 0.878236 0.868973 Ga\n0.011243 0.008832 0.260159 O\n0.511243 0.008832 0.239841 O\n0.252423 0.037063 0.009380 O\n0.752423 0.037063 0.490620 O\n0.229424 0.249755 0.247048 O\n0.729424 0.249755 0.252952 O\n0.526283 0.241068 0.988358 O\n0.026283 0.241068 0.511642 O\n0.026283 0.258932 0.011642 O\n0.526283 0.258932 0.488358 O\n0.229424 0.250245 0.747048 O\n0.729424 0.250245 0.752952 O\n0.252423 0.462937 0.509380 O\n0.752423 0.462937 0.990620 O\n0.011243 0.491168 0.760159 O\n0.511243 0.491168 0.739841 O\n0.488757 0.508832 0.260159 O\n0.988757 0.508832 0.239841 O\n0.247577 0.537063 0.009380 O\n0.747577 0.537063 0.490620 O\n0.270576 0.749755 0.247048 O\n0.770576 0.749755 0.252952 O\n0.473717 0.741068 0.511642 O\n0.973717 0.741068 0.988358 O\n0.973717 0.758932 0.488358 O\n0.473717 0.758932 0.011642 O\n0.270576 0.750245 0.747048 O\n0.770576 0.750245 0.752952 O\n0.247577 0.962937 0.509380 O\n0.747577 0.962937 0.990620 O\n0.488757 0.991168 0.760159 O\n0.988757 0.991168 0.739841 O\n",
"nsites": 80,
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-Li-O",
"density": 2.8062300785370415,
"density_atomic": 0.10033814659847451,
"volume": 797.3039438344208,
"volume_molar": 6.0018457228425195,
"formula_full": "Li40 Ga8 O32",
"formula_reduced": "Li5GaO4",
"formula_anonymous": "AB4C5",
"energy": -435.28586004,
"energy_per_atom": -5.4410732505,
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"updated_at": "2021-11-28T01:37:13.475000Z",
"spacegroup": 61
},
{
"id": "mp-14172",
"created_at": "2022-09-04T14:45:53.813878Z",
"structure_string": "Sr4 Si8\n1.0\n6.563943 0.000000 0.000000\n0.000000 6.563943 0.000000\n0.000000 0.000000 6.563943\nSr Si\n4 8\ndirect\n0.875000 0.125000 0.625000 Sr\n0.125000 0.625000 0.875000 Sr\n0.625000 0.875000 0.125000 Sr\n0.375000 0.375000 0.375000 Sr\n0.672066 0.672066 0.672066 Si\n0.922066 0.577934 0.422066 Si\n0.577934 0.422066 0.922066 Si\n0.422066 0.922066 0.577934 Si\n0.077934 0.077934 0.077934 Si\n0.327934 0.172066 0.827934 Si\n0.827934 0.327934 0.172066 Si\n0.172066 0.827934 0.327934 Si\n",
"nsites": 12,
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"elements": [
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"Si"
],
"chemical_system": "Si-Sr",
"density": 3.3771191977228887,
"density_atomic": 0.04243134934525883,
"volume": 282.8097664855631,
"volume_molar": 14.192668517323263,
"formula_full": "Sr4 Si8",
"formula_reduced": "SrSi2",
"formula_anonymous": "AB2",
"energy": -53.943562410000006,
"energy_per_atom": -4.4952968675000005,
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"updated_at": "2021-11-28T01:37:09.060000Z",
"spacegroup": 213
},
{
"id": "mp-559711",
"created_at": "2022-09-04T14:45:57.592949Z",
"structure_string": "Rb16 Na16 Si8 O32\n1.0\n9.928733 0.000000 0.000000\n0.000000 11.045437 0.000000\n0.000000 0.000000 11.269671\nRb Na Si O\n16 16 8 32\ndirect\n0.640161 0.150508 0.636535 Rb\n0.140161 0.349492 0.363465 Rb\n0.298392 0.937171 0.035556 Rb\n0.701608 0.437171 0.464444 Rb\n0.798392 0.562829 0.964444 Rb\n0.359839 0.650508 0.863465 Rb\n0.640161 0.349492 0.136535 Rb\n0.140161 0.150508 0.863465 Rb\n0.859839 0.849492 0.136535 Rb\n0.298392 0.562829 0.535556 Rb\n0.701608 0.062829 0.964444 Rb\n0.359839 0.849492 0.363465 Rb\n0.201608 0.062829 0.535556 Rb\n0.201608 0.437171 0.035556 Rb\n0.798392 0.937171 0.464444 Rb\n0.859839 0.650508 0.636535 Rb\n0.033148 0.749275 0.906389 Na\n0.966852 0.250725 0.093611 Na\n0.908153 0.951263 0.746508 Na\n0.033148 0.750725 0.406389 Na\n0.908153 0.548737 0.246508 Na\n0.591847 0.048737 0.246508 Na\n0.408153 0.548737 0.253492 Na\n0.091847 0.048737 0.253492 Na\n0.533148 0.749275 0.593611 Na\n0.091847 0.451263 0.753492 Na\n0.466852 0.249275 0.906389 Na\n0.466852 0.250725 0.406389 Na\n0.533148 0.750725 0.093611 Na\n0.591847 0.451263 0.746508 Na\n0.966852 0.249275 0.593611 Na\n0.408153 0.951263 0.753492 Na\n0.157661 0.804425 0.682173 Si\n0.342339 0.304425 0.682173 Si\n0.157661 0.695575 0.182173 Si\n0.657661 0.695575 0.317827 Si\n0.657661 0.804425 0.817827 Si\n0.342339 0.195575 0.182173 Si\n0.842339 0.304425 0.817827 Si\n0.842339 0.195575 0.317827 Si\n0.841866 0.105982 0.197870 O\n0.878125 0.163226 0.773915 O\n0.460781 0.148056 0.088368 O\n0.158134 0.605982 0.302130 O\n0.190666 0.310428 0.619312 O\n0.039219 0.851944 0.588368 O\n0.309334 0.689572 0.119312 O\n0.690666 0.310428 0.880688 O\n0.960781 0.351944 0.911632 O\n0.378125 0.336774 0.226085 O\n0.690666 0.189572 0.380688 O\n0.809334 0.810428 0.880688 O\n0.460781 0.351944 0.588368 O\n0.960781 0.148056 0.411632 O\n0.841866 0.394018 0.697870 O\n0.539219 0.851944 0.911632 O\n0.658134 0.605982 0.197870 O\n0.378125 0.163226 0.726085 O\n0.158134 0.894018 0.802130 O\n0.658134 0.894018 0.697870 O\n0.878125 0.336774 0.273915 O\n0.309334 0.810428 0.619312 O\n0.341866 0.394018 0.802130 O\n0.621875 0.663226 0.773915 O\n0.121875 0.836774 0.226085 O\n0.190666 0.189572 0.119312 O\n0.341866 0.105982 0.302130 O\n0.539219 0.648056 0.411632 O\n0.039219 0.648056 0.088368 O\n0.809334 0.689572 0.380688 O\n0.621875 0.836774 0.273915 O\n0.121875 0.663226 0.726085 O\n",
"nsites": 72,
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"elements": [
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"Na",
"Si",
"O"
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