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{
"id": "jvasp-47889",
"created_at": "2022-09-04T14:36:49.241159Z",
"updated_at": "2022-09-04T14:36:49.241183Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.830007 0.034648\n5.620423 0.000000 0.000000\n0.000000 -4.719458 -6.265924\nLi Cr Si O\n4 2 2 8\ndirect\n0.505928 0.815234 0.001693 Li\n0.250125 0.346590 0.744779 Li\n0.505927 0.184765 0.501693 Li\n0.250126 0.653409 0.244779 Li\n0.010391 0.152653 -0.011103 Cr\n0.010390 0.847347 0.488896 Cr\n0.739082 0.666155 0.746533 Si\n0.739082 0.333844 0.246533 Si\n0.064956 0.801813 0.966832 O\n0.847496 0.389441 0.743225 O\n0.399749 0.663396 0.749125 O\n0.619271 0.821851 0.528912 O\n0.064956 0.198187 0.466832 O\n0.847496 0.610559 0.243226 O\n0.399749 0.336603 0.249126 O\n0.619272 0.178148 0.028913 O\n",
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"elements": [
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"volume": 169.17999864019538,
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"formula_full": "Li4 Cr2 Si2 O8",
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{
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"updated_at": "2022-09-04T14:35:44.264325Z",
"structure_string": "Li6 Cr2 Si2 O10\n1.0\n5.029105 0.013863 0.005660\n1.620660 5.457082 -0.003010\n1.497587 1.083066 5.913097\nLi Cr Si O\n6 2 2 10\ndirect\n0.508147 0.247001 0.996175 Li\n0.306001 0.446060 0.398208 Li\n0.314869 0.947784 0.394776 Li\n0.685130 0.052216 0.605225 Li\n0.693999 0.553940 0.601793 Li\n0.491852 0.752998 0.003826 Li\n0.899742 0.345522 0.214728 Cr\n0.100258 0.654477 0.785273 Cr\n0.102666 0.151497 0.784512 Si\n0.897334 0.848502 0.215488 Si\n0.355266 0.333747 0.717694 O\n0.642077 0.122977 0.284768 O\n0.644733 0.666253 0.282307 O\n0.159723 0.045518 0.093973 O\n0.002092 0.756151 0.477293 O\n0.161746 0.576234 0.105682 O\n0.838253 0.423766 0.894319 O\n0.997907 0.243849 0.522708 O\n0.840276 0.954481 0.906027 O\n0.357922 0.877022 0.715233 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.12335962224089222,
"volume": 162.12760412758658,
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"formula_full": "Li6 Cr2 Si2 O10",
"formula_reduced": "Li3CrSiO5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 2
},
{
"id": "jvasp-47126",
"created_at": "2022-09-04T14:38:03.503004Z",
"updated_at": "2022-09-04T14:38:03.503027Z",
"structure_string": "Li2 Cr2 Si2 O8\n1.0\n-4.059549 4.022002 0.117923\n4.059549 0.117923 4.022002\n-0.000000 3.904079 -3.904079\nLi Cr Si O\n2 2 2 8\ndirect\n0.995937 0.004061 0.004062 Li\n0.254061 0.745937 0.245938 Li\n0.624999 0.874999 0.625000 Cr\n0.125000 0.375000 0.625000 Cr\n0.624999 0.374999 0.625000 Si\n0.624999 0.374999 0.125000 Si\n0.844390 0.155610 0.893175 O\n0.844390 0.155610 0.418045 O\n0.420388 0.161781 0.870698 O\n0.838217 0.579611 0.870698 O\n0.411781 0.170388 0.379303 O\n0.829611 0.588217 0.379303 O\n0.405609 0.594390 0.356825 O\n0.405609 0.594390 0.831955 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.822040459981001,
"density_atomic": 0.10668642972173532,
"volume": 131.2256866830718,
"volume_molar": 5.644711118093685,
"formula_full": "Li2 Cr2 Si2 O8",
"formula_reduced": "LiCrSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6198114285714293,
"spacegroup": 74
},
{
"id": "jvasp-40671",
"created_at": "2022-09-04T14:38:02.544676Z",
"updated_at": "2022-09-04T14:38:02.544693Z",
"structure_string": "Li2 Cr5 Si4 O14\n1.0\n5.586271 -0.002785 0.002059\n-2.047790 7.227802 0.011386\n-0.130092 -3.363250 7.180166\nLi Cr Si O\n2 5 4 14\ndirect\n0.230289 0.107856 0.450076 Li\n0.769711 0.892145 0.549926 Li\n0.000000 0.000000 0.000000 Cr\n0.076434 0.383870 0.810374 Cr\n0.664681 0.574772 0.710238 Cr\n0.335320 0.425229 0.289764 Cr\n0.923566 0.616131 0.189628 Cr\n0.506763 0.774081 0.143591 Si\n0.205690 0.790239 0.602859 Si\n0.794311 0.209762 0.397142 Si\n0.493237 0.225919 0.856410 Si\n0.465491 0.983696 0.723823 O\n0.597363 0.672507 0.276228 O\n0.971664 0.812859 0.730240 O\n0.294295 0.588375 0.552599 O\n0.695825 0.770841 0.986078 O\n0.304175 0.229160 0.013923 O\n0.781813 0.355740 0.954794 O\n0.028337 0.187142 0.269761 O\n0.402637 0.327494 0.723774 O\n0.534510 0.016305 0.276178 O\n0.218188 0.644261 0.045207 O\n0.884525 0.167720 0.571593 O\n0.705705 0.411626 0.447402 O\n0.115475 0.832281 0.428408 O\n",
"nsites": 25,
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"elements": [
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],
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"density": 3.4927911560788854,
"density_atomic": 0.0861775419183239,
"volume": 290.09878262359973,
"volume_molar": 6.988062813055839,
"formula_full": "Li2 Cr5 Si4 O14",
"formula_reduced": "Li2Cr5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
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},
{
"id": "jvasp-44377",
"created_at": "2022-09-04T14:38:35.900176Z",
"updated_at": "2022-09-04T14:38:35.900202Z",
"structure_string": "Li4 Cr6 Sb2 O16\n1.0\n2.952156 -5.113284 0.000000\n2.952156 5.113284 0.000000\n-0.000000 -0.000000 9.561663\nLi Cr Sb O\n4 6 2 16\ndirect\n0.666668 0.333334 0.097048 Li\n0.000000 0.000000 0.007583 Li\n0.000000 0.000000 0.507583 Li\n0.333334 0.666668 0.597048 Li\n0.169548 0.339096 0.285500 Cr\n0.169548 0.830453 0.285500 Cr\n0.660905 0.830453 0.285500 Cr\n0.830453 0.660905 0.785500 Cr\n0.339096 0.169548 0.785500 Cr\n0.830453 0.169548 0.785500 Cr\n0.666668 0.333334 0.510716 Sb\n0.333334 0.666668 0.010716 Sb\n0.162864 0.837137 0.903631 O\n0.162864 0.325726 0.903631 O\n0.333334 0.666668 0.391542 O\n0.482553 0.965106 0.159884 O\n0.034896 0.517448 0.159884 O\n0.837137 0.162864 0.403631 O\n0.965106 0.482553 0.659883 O\n0.517449 0.482553 0.659883 O\n0.837137 0.674275 0.403631 O\n0.000000 0.000000 0.192245 O\n0.000000 0.000000 0.692245 O\n0.666668 0.333334 0.891542 O\n0.482553 0.517449 0.159884 O\n0.325726 0.162864 0.403631 O\n0.517448 0.034896 0.659883 O\n0.674275 0.837137 0.903631 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Cr-Li-O-Sb",
"density": 4.827678254196241,
"density_atomic": 0.0969963484133613,
"volume": 288.6706608858585,
"volume_molar": 6.208626261203094,
"formula_full": "Li4 Cr6 Sb2 O16",
"formula_reduced": "Li2Cr3SbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.087358307142858,
"spacegroup": 186
},
{
"id": "jvasp-46721",
"created_at": "2022-09-04T14:38:31.111658Z",
"updated_at": "2022-09-04T14:38:31.111685Z",
"structure_string": "Li8 Cr3 Sb1 O12\n1.0\n4.958603 0.022351 0.010755\n-0.026547 4.977815 0.008882\n-0.018326 -0.015356 8.484632\nLi Cr Sb O\n8 3 1 12\ndirect\n0.500104 -0.001309 0.073520 Li\n0.500041 0.499756 0.249452 Li\n0.500031 0.499329 0.934431 Li\n0.000054 0.500211 0.280981 Li\n0.000009 0.500296 0.577261 Li\n0.499964 0.999880 0.764818 Li\n-0.000037 0.000189 0.739697 Li\n0.000043 0.000392 0.444781 Li\n0.499981 0.500006 0.598231 Cr\n0.500017 0.999992 0.426051 Cr\n-0.000022 0.500137 0.901917 Cr\n0.000038 0.000200 0.099396 Sb\n0.251459 0.845324 0.259853 O\n0.224777 0.826513 0.925544 O\n0.281736 0.824536 0.582313 O\n0.716711 0.675534 0.435031 O\n0.776892 0.667107 0.080158 O\n0.750352 0.643899 0.754779 O\n0.249544 0.356173 0.754777 O\n0.223010 0.333247 0.080166 O\n0.283262 0.324492 0.435020 O\n0.718178 0.175498 0.582357 O\n0.775155 0.173638 0.925569 O\n0.748721 0.154779 0.259974 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.11459515645751472,
"volume": 209.43293540419236,
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"formula_full": "Li8 Cr3 Sb1 O12",
"formula_reduced": "Li8Cr3SbO12",
"formula_anonymous": "AB3C8D12",
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"spacegroup": 3
},
{
"id": "jvasp-43390",
"created_at": "2022-09-04T14:37:09.629655Z",
"updated_at": "2022-09-04T14:37:09.629670Z",
"structure_string": "Li4 Cr5 Sb1 O12\n1.0\n5.171833 -0.004549 0.168669\n-2.600999 4.470198 0.168669\n0.328768 0.571085 10.224104\nLi Cr Sb O\n4 5 1 12\ndirect\n0.112211 0.450604 0.710706 Li\n0.549395 0.887789 0.289294 Li\n0.450604 0.112210 0.710706 Li\n0.887789 0.549395 0.289294 Li\n0.162251 0.837748 0.500000 Cr\n0.335123 0.664877 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.664877 0.335123 0.000000 Cr\n0.837748 0.162251 0.500000 Cr\n0.000000 0.000000 0.000000 Sb\n0.808177 0.461790 0.603110 O\n0.538209 0.191822 0.396890 O\n0.851644 0.851644 0.393881 O\n0.687103 0.687103 0.901030 O\n0.312896 0.312897 0.098970 O\n0.973971 0.634870 0.102151 O\n0.461790 0.808177 0.603110 O\n0.191822 0.538210 0.396890 O\n0.365129 0.026028 0.897849 O\n0.634870 0.973971 0.102151 O\n0.148355 0.148355 0.606119 O\n0.026029 0.365129 0.897849 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.245657444672241,
"density_atomic": 0.09351576951495301,
"volume": 235.25444012394337,
"volume_molar": 6.4397061492789955,
"formula_full": "Li4 Cr5 Sb1 O12",
"formula_reduced": "Li4Cr5SbO12",
"formula_anonymous": "AB4C5D12",
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"spacegroup": 12
},
{
"id": "jvasp-117129",
"created_at": "2022-09-04T14:38:48.671322Z",
"updated_at": "2022-09-04T14:38:48.671348Z",
"structure_string": "Li1 Cr1 P2 S7\n1.0\n6.383617 0.089057 0.886153\n-0.894540 6.321257 0.886153\n0.056623 0.066126 6.260678\nLi Cr P S\n1 1 2 7\ndirect\n0.750280 0.249721 0.500000 Li\n0.516388 0.483613 -0.000001 Cr\n0.965044 0.627990 0.075642 P\n0.372011 0.034958 0.924357 P\n0.878241 0.506935 0.813110 S\n0.516267 0.822882 0.765681 S\n0.684376 0.603152 0.285804 S\n0.034620 0.965381 -0.000001 S\n0.396848 0.315625 0.714195 S\n0.177119 0.483733 0.234318 S\n0.493067 0.121760 0.186889 S\n",
"nsites": 11,
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"elements": [
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],
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"density": 2.2720474442056737,
"density_atomic": 0.04358274415636286,
"volume": 252.39346931746738,
"volume_molar": 13.817718173950269,
"formula_full": "Li1 Cr1 P2 S7",
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"formula_anonymous": "ABC2D7",
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"spacegroup": 5
},
{
"id": "jvasp-111898",
"created_at": "2022-09-04T14:38:48.320372Z",
"updated_at": "2022-09-04T14:38:48.320397Z",
"structure_string": "Li4 Cr4 P4 O16\n1.0\n4.722610 0.011478 0.000058\n-0.015163 6.276704 0.000100\n-0.000366 0.000025 10.122512\nLi Cr P O\n4 4 4 16\ndirect\n0.251257 0.270136 0.297596 Li\n0.748748 0.729860 0.797601 Li\n0.751230 0.229841 0.796540 Li\n0.248772 0.770161 0.296534 Li\n0.794943 0.501987 0.078688 Cr\n0.205060 0.498016 0.578686 Cr\n0.294902 -0.001930 0.015451 Cr\n0.705100 0.001926 0.515450 Cr\n0.662896 0.521496 0.388939 P\n0.337100 0.478506 0.888941 P\n0.162924 0.978500 0.705191 P\n0.837077 0.021496 0.205191 P\n0.989242 0.515286 0.397495 O\n0.010756 0.484717 0.897495 O\n0.447811 0.488380 0.743820 O\n0.552188 0.511617 0.243816 O\n0.530669 0.728141 0.447912 O\n0.469333 0.271862 0.947921 O\n0.030712 0.771825 0.646257 O\n0.052173 0.988484 0.850301 O\n-0.020882 0.830759 0.131080 O\n0.020873 0.169239 0.631076 O\n0.489272 0.984702 0.696653 O\n0.510732 0.015292 0.196652 O\n0.520841 0.330718 0.463002 O\n0.947829 0.011515 0.350300 O\n0.969289 0.228167 0.146251 O\n0.479152 0.669285 0.962999 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.09331542753122499,
"volume": 300.0575654077211,
"volume_molar": 6.4535317678150115,
"formula_full": "Li4 Cr4 P4 O16",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-43820",
"created_at": "2022-09-04T14:35:46.804520Z",
"updated_at": "2022-09-04T14:35:46.804541Z",
"structure_string": "Li4 Cr2 P4 O14\n1.0\n5.189651 0.272618 -0.000421\n2.956518 6.542254 -0.000159\n0.000733 -0.000057 8.322453\nLi Cr P O\n4 2 4 14\ndirect\n0.226462 0.059742 0.150862 Li\n0.494308 0.317707 0.371084 Li\n0.505691 0.682293 0.871084 Li\n0.773538 0.940257 0.650865 Li\n0.510404 0.288930 0.001577 Cr\n0.489595 0.711070 0.501577 Cr\n0.102915 0.074200 0.784423 P\n0.118258 0.486415 0.691476 P\n0.881741 0.513585 0.191478 P\n0.897086 0.925798 0.284424 P\n0.696042 0.996427 0.429166 O\n0.857335 0.746074 0.189965 O\n0.790889 0.647002 0.686422 O\n0.749893 0.484959 0.348798 O\n0.721891 0.507532 0.041417 O\n0.278101 0.492473 0.541410 O\n0.807038 0.105180 0.162214 O\n0.209108 0.352997 0.186422 O\n0.142668 0.253925 0.689962 O\n0.303959 0.003569 0.929164 O\n0.192965 0.894816 0.662215 O\n0.780195 0.148162 0.814544 O\n0.250111 0.515036 0.848794 O\n0.219805 0.851838 0.314543 O\n",
"nsites": 24,
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"elements": [
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"density": 2.887250024587058,
"density_atomic": 0.08700186550498733,
"volume": 275.8561538961968,
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"formula_full": "Li4 Cr2 P4 O14",
"formula_reduced": "Li2CrP2O7",
"formula_anonymous": "AB2C2D7",
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},
{
"id": "jvasp-97788",
"created_at": "2022-09-04T14:36:02.935448Z",
"updated_at": "2022-09-04T14:36:02.935467Z",
"structure_string": "Li2 Cr2 P4 O14\n1.0\n4.792499 -0.025563 0.000000\n-2.287670 6.575683 0.000000\n0.000000 0.000000 7.989270\nLi Cr P O\n2 2 4 14\ndirect\n0.181651 0.180616 0.880555 Li\n0.818349 0.819384 0.380555 Li\n0.780470 0.769837 0.748858 Cr\n0.219530 0.230163 0.248858 Cr\n0.800503 0.416453 0.466331 P\n0.199497 0.583547 0.966331 P\n0.402964 0.019639 0.568778 P\n0.597036 0.980361 0.068778 P\n0.395968 0.110374 0.065099 O\n0.814248 0.023591 0.215176 O\n0.185752 0.976409 0.715175 O\n0.749861 0.989663 0.898826 O\n0.250139 0.010337 0.398826 O\n0.924386 0.638614 0.929762 O\n0.396440 0.746634 0.102263 O\n0.123670 0.379324 0.057024 O\n0.876330 0.620676 0.557024 O\n0.384626 0.584311 0.809627 O\n0.615374 0.415689 0.309628 O\n0.604032 0.889626 0.565099 O\n0.603561 0.253366 0.602263 O\n0.075614 0.361386 0.429762 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.0775756490223367,
"density_atomic": 0.08754257996714335,
"volume": 251.3062787075396,
"volume_molar": 6.879099019311793,
"formula_full": "Li2 Cr2 P4 O14",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
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"spacegroup": 4
},
{
"id": "jvasp-117419",
"created_at": "2022-09-04T14:38:27.363904Z",
"updated_at": "2022-09-04T14:38:27.363922Z",
"structure_string": "Li2 Cr4 P4 O16\n1.0\n8.007624 0.000000 0.000000\n-0.000000 4.144721 2.480638\n-0.000000 0.217188 10.345343\nLi Cr P O\n2 4 4 16\ndirect\n0.827756 0.918021 0.128327 Li\n0.172243 0.918021 0.628327 Li\n0.442341 0.008116 0.980544 Cr\n0.557658 0.008116 0.480544 Cr\n0.889778 0.525904 0.517361 Cr\n0.110221 0.525904 0.017361 Cr\n0.072202 0.159032 0.832164 P\n0.927797 0.159032 0.332164 P\n0.462033 0.218549 0.168157 P\n0.537967 0.218549 0.668156 P\n0.758747 0.950253 0.385231 O\n0.033725 0.197415 0.677294 O\n0.912106 0.487542 0.318948 O\n0.087894 0.487542 0.818947 O\n0.966275 0.197415 0.177294 O\n0.954260 0.909907 0.961870 O\n0.692598 0.222146 0.571005 O\n0.428591 -0.043452 0.336143 O\n0.571409 -0.043452 0.836143 O\n0.483754 0.551186 0.152424 O\n0.516245 0.551186 0.652424 O\n0.045739 0.909907 0.461870 O\n0.397256 0.132594 0.590031 O\n0.307401 0.222145 0.071005 O\n0.602744 0.132593 0.090031 O\n0.241252 0.950253 0.885231 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9472304851954254,
"density_atomic": 0.07668685345586691,
"volume": 339.04116322836137,
"volume_molar": 7.852898493828185,
"formula_full": "Li2 Cr4 P4 O16",
"formula_reduced": "LiCr2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.193140292307693,
"spacegroup": 7
}
]
}