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{
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"results": [
{
"id": "mp-26924",
"created_at": "2022-09-04T14:48:18.018232Z",
"structure_string": "Cr4 P4 O20\n1.0\n-0.000001 6.091212 -0.000002\n0.000019 -0.000003 7.156501\n8.128814 -0.000001 0.000022\nCr P O\n4 4 20\ndirect\n0.750001 0.292403 0.814364 Cr\n0.250000 0.792413 0.685656 Cr\n0.750002 0.207617 0.314410 Cr\n0.250000 0.707622 0.185596 Cr\n0.750000 0.604422 0.122295 P\n0.249999 0.104425 0.377703 P\n0.750000 0.895570 0.622310 P\n0.250000 0.395564 0.877692 P\n0.449548 0.261196 0.865490 O\n0.050451 0.261196 0.865490 O\n0.550438 0.738782 0.134442 O\n0.949562 0.738781 0.134442 O\n0.449561 0.238781 0.365557 O\n0.550452 0.761193 0.634509 O\n0.949548 0.761193 0.634509 O\n0.050438 0.238781 0.365557 O\n0.250000 0.877073 0.864449 O\n0.750000 0.122943 0.135582 O\n0.250000 0.622944 0.364414 O\n0.750000 0.377078 0.635535 O\n0.250000 0.966432 0.232021 O\n0.750000 0.466433 0.267976 O\n0.750000 0.033559 0.768000 O\n0.250000 0.533559 0.731997 O\n0.250000 0.003285 0.544739 O\n0.250000 0.496735 0.044678 O\n0.750000 0.996734 0.455321 O\n0.750000 0.503284 0.955263 O\n",
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"volume": 354.34934773807515,
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"formula_full": "Cr4 P4 O20",
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"updated_at": "2021-11-28T01:39:05.448000Z",
"spacegroup": 62
},
{
"id": "mp-1185167",
"created_at": "2022-09-04T14:48:18.030254Z",
"structure_string": "La4 P20\n1.0\n9.734111 0.000000 0.000000\n0.000000 5.643078 0.000000\n0.000000 2.782332 9.264248\nLa P\n4 20\ndirect\n0.250000 0.092745 0.048385 La\n0.750000 0.907255 0.951615 La\n0.250000 0.127793 0.522042 La\n0.750000 0.872207 0.477958 La\n0.586044 0.454678 0.689159 P\n0.086044 0.545322 0.310841 P\n0.413956 0.545322 0.310841 P\n0.913956 0.454678 0.689159 P\n0.549023 0.135208 0.136359 P\n0.049023 0.864792 0.863641 P\n0.450977 0.864792 0.863641 P\n0.950977 0.135208 0.136359 P\n0.595476 0.480356 0.187592 P\n0.095476 0.519644 0.812408 P\n0.404524 0.519644 0.812408 P\n0.904524 0.480356 0.187592 P\n0.250000 0.575940 0.636470 P\n0.750000 0.424060 0.363530 P\n0.545134 0.090984 0.658236 P\n0.045134 0.909016 0.341764 P\n0.454866 0.909016 0.341764 P\n0.954866 0.090984 0.658236 P\n0.250000 0.545233 0.150398 P\n0.750000 0.454767 0.849602 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"La",
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],
"chemical_system": "La-P",
"density": 3.834425811040429,
"density_atomic": 0.04716162077056413,
"volume": 508.8883632044209,
"volume_molar": 12.769155643095946,
"formula_full": "La4 P20",
"formula_reduced": "LaP5",
"formula_anonymous": "AB5",
"energy": -141.59456088,
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"updated_at": "2021-11-28T01:39:06.131000Z",
"spacegroup": 11
},
{
"id": "mp-769338",
"created_at": "2022-09-04T14:48:18.032302Z",
"structure_string": "Sb2 N6 O18 F6\n1.0\n5.765076 -6.771262 0.000000\n5.765076 6.771262 0.000000\n0.000000 0.000000 7.456405\nSb N O F\n2 6 18 6\ndirect\n0.858427 0.141573 0.107603 Sb\n0.141573 0.858427 0.607603 Sb\n0.213806 0.317203 0.251830 N\n0.317203 0.213806 0.751830 N\n0.299149 0.700851 0.026140 N\n0.700851 0.299149 0.526140 N\n0.682797 0.786194 0.251830 N\n0.786194 0.682797 0.751830 N\n0.155812 0.210214 0.147079 O\n0.210214 0.155812 0.647079 O\n0.132684 0.378877 0.354961 O\n0.378877 0.132684 0.854961 O\n0.356658 0.355211 0.745984 O\n0.355211 0.356658 0.245984 O\n0.209576 0.602834 0.942375 O\n0.602834 0.209576 0.442375 O\n0.710036 0.289964 0.692294 O\n0.289964 0.710036 0.192294 O\n0.790424 0.397166 0.442375 O\n0.397166 0.790424 0.942375 O\n0.643342 0.644789 0.245984 O\n0.644789 0.643342 0.745984 O\n0.867316 0.621123 0.854961 O\n0.621123 0.867316 0.354961 O\n0.789786 0.844188 0.147079 O\n0.844188 0.789786 0.647079 O\n0.111545 0.645924 0.544765 F\n0.645924 0.111545 0.044765 F\n0.927537 0.072463 0.881336 F\n0.072463 0.927537 0.381336 F\n0.888455 0.354076 0.044765 F\n0.354076 0.888455 0.544765 F\n",
"nsites": 32,
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"elements": [
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"N",
"O",
"F"
],
"chemical_system": "F-N-O-Sb",
"density": 2.0809610854676426,
"density_atomic": 0.054968747135273124,
"volume": 582.148978605077,
"volume_molar": 10.955572163906258,
"formula_full": "Sb2 N6 O18 F6",
"formula_reduced": "SbN3(O3F)3",
"formula_anonymous": "AB3C3D9",
"energy": -192.42841306,
"energy_per_atom": -6.013387908125,
"energy_above_hull": null,
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"energy_uncorrected": -177.29041306,
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"updated_at": "2021-11-28T01:38:40.633000Z",
"spacegroup": 36
},
{
"id": "mp-1094906",
"created_at": "2022-09-04T14:48:18.047948Z",
"structure_string": "Ca5 Mg1\n1.0\n1.918080 -9.822382 0.000000\n1.918080 9.822382 0.000000\n0.000000 0.000000 6.146655\nCa Mg\n5 1\ndirect\n0.000776 0.999224 0.000000 Ca\n0.328817 0.671183 0.000000 Ca\n0.669993 0.330007 0.000000 Ca\n0.121189 0.878812 0.500000 Ca\n0.434822 0.565178 0.500000 Ca\n0.777736 0.222264 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ca-Mg",
"density": 1.610979950593479,
"density_atomic": 0.025905911642086627,
"volume": 231.6073675729067,
"volume_molar": 23.246202809618396,
"formula_full": "Ca5 Mg1",
"formula_reduced": "Ca5Mg",
"formula_anonymous": "AB5",
"energy": -11.54058379,
"energy_per_atom": -1.9234306316666665,
"energy_above_hull": null,
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"energy_uncorrected": -11.54058379,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.072000Z",
"spacegroup": 38
},
{
"id": "mp-1183272",
"created_at": "2022-09-04T14:48:18.052732Z",
"structure_string": "Ag6 Br2\n1.0\n3.272696 -5.668477 0.000000\n3.272696 5.668477 0.000000\n0.000000 0.000000 4.722194\nAg Br\n6 2\ndirect\n0.147344 0.294689 0.250000 Ag\n0.705311 0.852656 0.250000 Ag\n0.147344 0.852656 0.250000 Ag\n0.852656 0.705311 0.750000 Ag\n0.294689 0.147344 0.750000 Ag\n0.852656 0.147344 0.750000 Ag\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
"nsites": 8,
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"elements": [
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"Br"
],
"chemical_system": "Ag-Br",
"density": 7.648671575046948,
"density_atomic": 0.045660862611464986,
"volume": 175.204749592078,
"volume_molar": 13.188845798300578,
"formula_full": "Ag6 Br2",
"formula_reduced": "Ag3Br",
"formula_anonymous": "AB3",
"energy": -20.67503616,
"energy_per_atom": -2.58437952,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:07.153000Z",
"spacegroup": 194
},
{
"id": "mp-777832",
"created_at": "2022-09-04T14:48:18.054149Z",
"structure_string": "Li2 V8 O2 F22\n1.0\n2.596366 4.892012 0.000000\n-2.596366 4.892012 0.000000\n0.000000 3.988329 16.968567\nLi V O F\n2 8 2 22\ndirect\n0.864996 0.738230 0.269846 Li\n0.261770 0.135004 0.730154 Li\n0.621154 0.496010 0.812580 V\n0.503990 0.378846 0.187420 V\n0.358405 0.273324 0.563241 V\n0.879213 0.745742 0.061972 V\n0.254258 0.120787 0.938028 V\n0.155925 0.986722 0.319329 V\n0.013278 0.844075 0.680671 V\n0.726676 0.641595 0.436759 V\n0.211251 0.467704 0.656840 O\n0.532296 0.788749 0.343160 O\n0.270522 0.780546 0.219708 F\n0.191250 0.328766 0.247320 F\n0.671234 0.808750 0.752680 F\n0.802917 0.446855 0.122446 F\n0.479256 0.968408 0.030381 F\n0.962809 0.474775 0.527362 F\n0.798284 0.257905 0.726362 F\n0.742095 0.201716 0.273638 F\n0.728007 0.955764 0.158565 F\n0.044236 0.271993 0.841435 F\n0.955280 0.044720 0.000000 F\n0.307663 0.955345 0.633207 F\n0.219454 0.729478 0.780292 F\n0.031592 0.520744 0.969619 F\n0.525225 0.037191 0.472638 F\n0.770395 0.048409 0.595709 F\n0.472009 0.724437 0.904858 F\n0.275563 0.527991 0.095142 F\n0.422506 0.577494 0.500000 F\n0.044655 0.692337 0.366793 F\n0.553145 0.197083 0.877554 F\n0.951591 0.229605 0.404291 F\n",
"nsites": 34,
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"elements": [
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],
"chemical_system": "F-Li-O-V",
"density": 3.356811341917833,
"density_atomic": 0.07887698955138467,
"volume": 431.0509337815256,
"volume_molar": 7.634851170475842,
"formula_full": "Li2 V8 O2 F22",
"formula_reduced": "LiV4OF11",
"formula_anonymous": "ABC4D11",
"energy": -233.7357608,
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"updated_at": "2021-11-28T01:38:46.015000Z",
"spacegroup": 5
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{
"id": "mp-726643",
"created_at": "2022-09-04T14:48:18.061654Z",
"structure_string": "K8 Sn4 O4 F24\n1.0\n0.000000 6.883036 8.910955\n6.077911 0.000000 8.910955\n6.077911 6.883036 0.000000\nK Sn O F\n8 4 4 24\ndirect\n0.121228 0.121228 0.878772 K\n0.878772 0.878772 0.121228 K\n0.128772 0.128772 0.371228 K\n0.371228 0.371228 0.128772 K\n0.296915 0.703085 0.703085 K\n0.703085 0.296915 0.296915 K\n0.953085 0.546915 0.546915 K\n0.546915 0.953085 0.953085 K\n0.783030 0.216970 0.783030 Sn\n0.216970 0.783030 0.216970 Sn\n0.466970 0.033030 0.466970 Sn\n0.033030 0.466970 0.033030 Sn\n0.398512 0.398512 0.601488 O\n0.601488 0.601488 0.398512 O\n0.851488 0.851488 0.648512 O\n0.648512 0.648512 0.851488 O\n0.924312 0.298194 0.653430 F\n0.124063 0.653430 0.298194 F\n0.653430 0.124063 0.924312 F\n0.298194 0.924312 0.124063 F\n0.325688 0.951806 0.596570 F\n0.125937 0.596570 0.951806 F\n0.596570 0.125937 0.325688 F\n0.951806 0.325688 0.125937 F\n0.990726 0.988453 0.788521 F\n0.232301 0.788521 0.988453 F\n0.788521 0.232301 0.990726 F\n0.988453 0.990726 0.232301 F\n0.259274 0.261547 0.461479 F\n0.017699 0.461479 0.261547 F\n0.461479 0.017699 0.259274 F\n0.261547 0.259274 0.017699 F\n0.571042 0.442041 0.794551 F\n0.192365 0.794551 0.442041 F\n0.794551 0.192365 0.571042 F\n0.442041 0.571042 0.192365 F\n0.678958 0.807959 0.455449 F\n0.057635 0.455449 0.807959 F\n0.455449 0.057635 0.678958 F\n0.807959 0.678958 0.057635 F\n",
"nsites": 40,
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"elements": [
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"volume": 745.5703413383408,
"volume_molar": 11.224823855051838,
"formula_full": "K8 Sn4 O4 F24",
"formula_reduced": "K2SnOF6",
"formula_anonymous": "ABC2D6",
"energy": -190.88038065,
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"updated_at": "2021-11-28T01:38:48.884000Z",
"spacegroup": 70
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{
"id": "mp-1078720",
"created_at": "2022-09-04T14:48:18.760655Z",
"structure_string": "Pt1 N4 Cl4\n1.0\n-3.003329 3.003329 4.658167\n3.003329 -3.003329 4.658167\n3.003329 3.003329 -4.658167\nPt N Cl\n1 4 4\ndirect\n0.000000 0.000000 0.000000 Pt\n0.230243 0.230243 0.460486 N\n0.769757 0.769757 0.539514 N\n0.230243 0.769757 0.000000 N\n0.769757 0.230243 0.000000 N\n0.742494 0.742494 0.000000 Cl\n0.257506 0.257506 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Cl-N-Pt",
"density": 3.8821781656784653,
"density_atomic": 0.05355026748123103,
"volume": 168.06638740234925,
"volume_molar": 11.245771577351533,
"formula_full": "Pt1 N4 Cl4",
"formula_reduced": "Pt(NCl)4",
"formula_anonymous": "AB4C4",
"energy": -34.808379910000006,
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{
"id": "mp-1046772",
"created_at": "2022-09-04T14:48:18.043146Z",
"structure_string": "Sr4 Y2 Ga2 W4 O14\n1.0\n-2.891281 3.029559 11.292592\n2.891281 -3.029559 11.292592\n2.891281 3.029559 -11.292592\nSr Y Ga W O\n4 2 2 4 14\ndirect\n0.379120 0.813393 0.510788 Sr\n0.620880 0.131668 0.434273 Sr\n0.802605 0.313393 0.434273 Sr\n0.197395 0.631668 0.510788 Sr\n0.000000 0.499780 0.499780 Y\n0.500000 0.999780 0.499780 Y\n0.829894 0.713336 0.043231 Ga\n0.170106 0.213336 0.883442 Ga\n0.573999 0.570970 0.001868 W\n0.930898 0.927869 0.001868 W\n0.069102 0.070970 0.996971 W\n0.426001 0.427869 0.996971 W\n0.737679 0.609796 0.494251 O\n0.898242 0.386720 0.784962 O\n0.615545 0.109796 0.872117 O\n0.232541 0.201764 0.078359 O\n0.757156 0.899035 0.505139 O\n0.893896 0.399035 0.141879 O\n0.101758 0.886720 0.488478 O\n0.384455 0.256573 0.494251 O\n0.262321 0.756573 0.872117 O\n0.623406 0.701764 0.969223 O\n0.767459 0.845818 0.969223 O\n0.376594 0.345818 0.078359 O\n0.242844 0.747982 0.141879 O\n0.106104 0.247982 0.505139 O\n",
"nsites": 26,
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"elements": [
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"energy": -208.03956197,
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"spacegroup": 46
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{
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"created_at": "2022-09-04T14:48:18.056273Z",
"structure_string": "Hg4 P8 Pd2 O16\n1.0\n0.000000 7.250399 7.953563\n6.130939 0.000000 7.953563\n6.130939 7.250399 0.000000\nHg P Pd O\n4 8 2 16\ndirect\n0.125000 0.625000 0.625000 Hg\n0.625000 0.625000 0.125000 Hg\n0.625000 0.625000 0.625000 Hg\n0.625000 0.125000 0.625000 Hg\n0.330091 0.288337 0.964983 P\n0.964983 0.416589 0.330091 P\n0.416589 0.964983 0.288337 P\n0.919909 0.961663 0.285017 P\n0.288337 0.330091 0.416589 P\n0.285017 0.833411 0.919909 P\n0.833411 0.285017 0.961663 P\n0.961663 0.919909 0.833411 P\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n0.386142 0.226375 0.524195 O\n0.524195 0.863288 0.386142 O\n0.863288 0.524195 0.226375 O\n0.863858 0.023625 0.725805 O\n0.226375 0.386142 0.863288 O\n0.725805 0.386712 0.863858 O\n0.386712 0.725805 0.023625 O\n0.023625 0.863858 0.386712 O\n0.514817 0.166693 0.870046 O\n0.870046 0.448444 0.514817 O\n0.448444 0.870046 0.166693 O\n0.735183 0.083307 0.379954 O\n0.166693 0.514817 0.448444 O\n0.379954 0.801556 0.735183 O\n0.801556 0.379954 0.083307 O\n0.083307 0.735183 0.801556 O\n",
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],
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"formula_full": "Hg4 P8 Pd2 O16",
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"spacegroup": 70
},
{
"id": "mp-1192814",
"created_at": "2022-09-04T14:48:18.074676Z",
"structure_string": "Ce3 Si6 Pd20\n1.0\n0.000000 6.180659 6.180659\n6.180659 0.000000 6.180659\n6.180659 6.180659 0.000000\nCe Si Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.732279 0.732279 0.267721 Si\n0.267721 0.732279 0.267721 Si\n0.732279 0.267721 0.267721 Si\n0.267721 0.267721 0.732279 Si\n0.732279 0.267721 0.732279 Si\n0.267721 0.732279 0.732279 Si\n0.615942 0.615942 0.152173 Pd\n0.615942 0.152173 0.615942 Pd\n0.152173 0.615942 0.615942 Pd\n0.615942 0.615942 0.615942 Pd\n0.384058 0.384058 0.847827 Pd\n0.384058 0.847827 0.384058 Pd\n0.847827 0.384058 0.384058 Pd\n0.384058 0.384058 0.384058 Pd\n0.000000 0.000000 0.345967 Pd\n0.654033 0.000000 0.345967 Pd\n0.000000 0.654033 0.345967 Pd\n0.654033 0.345967 0.000000 Pd\n0.000000 0.345967 0.000000 Pd\n0.000000 0.345967 0.654033 Pd\n0.345967 0.654033 0.000000 Pd\n0.345967 0.000000 0.654033 Pd\n0.345967 0.000000 0.000000 Pd\n0.000000 0.000000 0.654033 Pd\n0.000000 0.654033 0.000000 Pd\n0.654033 0.000000 0.000000 Pd\n",
"nsites": 29,
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"elements": [
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"Si",
"Pd"
],
"chemical_system": "Ce-Pd-Si",
"density": 9.55533917694007,
"density_atomic": 0.06141347220733978,
"volume": 472.2090928533119,
"volume_molar": 9.805895259705359,
"formula_full": "Ce3 Si6 Pd20",
"formula_reduced": "Ce3(Si3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy": -176.68704535,
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"updated_at": "2021-11-28T01:38:53.776000Z",
"spacegroup": 225
},
{
"id": "mp-1195918",
"created_at": "2022-09-04T14:48:18.122535Z",
"structure_string": "Na2 Ga12 Sb14 Te16 Cl48\n1.0\n12.568739 0.000000 0.000000\n3.583308 12.639338 0.000000\n0.017302 0.753859 18.829748\nNa Ga Sb Te Cl\n2 12 14 16 48\ndirect\n0.832403 0.252722 0.211349 Na\n0.167597 0.747278 0.788651 Na\n0.779345 0.992821 0.352373 Ga\n0.220655 0.007179 0.647627 Ga\n0.673686 0.130135 0.097298 Ga\n0.326314 0.869865 0.902702 Ga\n0.712605 0.540807 0.136416 Ga\n0.287395 0.459193 0.863584 Ga\n0.842149 0.397342 0.414593 Ga\n0.157851 0.602658 0.585407 Ga\n0.299125 0.308201 0.389704 Ga\n0.700875 0.691799 0.610296 Ga\n0.797459 0.820611 0.901788 Ga\n0.202541 0.179389 0.098212 Ga\n0.258463 0.740373 0.257409 Sb\n0.741537 0.259627 0.742591 Sb\n0.239619 0.681276 0.049909 Sb\n0.760381 0.318724 0.950091 Sb\n0.288359 0.806398 0.465812 Sb\n0.711641 0.193602 0.534188 Sb\n0.952503 0.809337 0.160349 Sb\n0.047497 0.190663 0.839651 Sb\n0.566303 0.701049 0.348419 Sb\n0.433697 0.298951 0.651581 Sb\n0.358210 0.000803 0.299541 Sb\n0.641790 0.999197 0.700459 Sb\n0.133473 0.497910 0.204845 Sb\n0.866527 0.502090 0.795155 Sb\n0.032998 0.622332 0.077945 Te\n0.967002 0.377668 0.922055 Te\n0.382680 0.618110 0.388192 Te\n0.617320 0.381890 0.611808 Te\n0.166829 0.934370 0.346086 Te\n0.833171 0.065630 0.653914 Te\n0.152054 0.872453 0.124953 Te\n0.847946 0.127547 0.875047 Te\n0.039631 0.683602 0.287005 Te\n0.960369 0.316398 0.712995 Te\n0.340781 0.539484 0.168846 Te\n0.659219 0.460516 0.831154 Te\n0.476162 0.893322 0.425347 Te\n0.523838 0.106678 0.574653 Te\n0.464111 0.814903 0.220008 Te\n0.535889 0.185097 0.779992 Te\n0.756817 0.836229 0.327982 Cl\n0.243183 0.163771 0.672018 Cl\n0.618405 0.108287 0.362359 Cl\n0.381595 0.891713 0.637641 Cl\n0.878408 0.983916 0.449594 Cl\n0.121592 0.016084 0.550406 Cl\n0.879925 0.033631 0.264081 Cl\n0.120075 0.966369 0.735919 Cl\n0.659587 0.979622 0.142343 Cl\n0.340413 0.020378 0.857657 Cl\n0.591187 0.175437 0.993031 Cl\n0.408813 0.824563 0.006969 Cl\n0.618389 0.260707 0.170674 Cl\n0.381611 0.739293 0.829326 Cl\n0.852046 0.125266 0.082038 Cl\n0.147954 0.874734 0.917962 Cl\n0.870325 0.416280 0.121879 Cl\n0.129675 0.583720 0.878121 Cl\n0.599273 0.542431 0.048680 Cl\n0.400727 0.457569 0.951320 Cl\n0.747960 0.694724 0.147469 Cl\n0.252040 0.305276 0.852531 Cl\n0.639942 0.505217 0.238210 Cl\n0.360058 0.494783 0.761790 Cl\n0.907954 0.298370 0.512397 Cl\n0.092046 0.701630 0.487603 Cl\n0.932364 0.312531 0.324395 Cl\n0.067636 0.687469 0.675605 Cl\n0.666768 0.397006 0.410015 Cl\n0.333232 0.602994 0.589985 Cl\n0.854801 0.559054 0.413891 Cl\n0.145199 0.440946 0.586109 Cl\n0.362859 0.290940 0.281190 Cl\n0.637141 0.709060 0.718810 Cl\n0.260252 0.161534 0.428136 Cl\n0.739748 0.838466 0.571864 Cl\n0.153090 0.445837 0.386402 Cl\n0.846910 0.554163 0.613598 Cl\n0.422237 0.337289 0.465146 Cl\n0.577763 0.662711 0.534854 Cl\n0.890456 0.827022 0.803115 Cl\n0.109544 0.172978 0.196885 Cl\n0.794458 0.655799 0.929853 Cl\n0.205542 0.344201 0.070147 Cl\n0.629675 0.922790 0.883609 Cl\n0.370325 0.077210 0.116391 Cl\n0.880774 0.875281 0.989998 Cl\n0.119226 0.124719 0.010002 Cl\n",
"nsites": 92,
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"elements": [
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"Ga",
"Sb",
"Te",
"Cl"
],
"chemical_system": "Cl-Ga-Na-Sb-Te",
"density": 3.5142782102610273,
"density_atomic": 0.030755818106476415,
"volume": 2991.3039439073505,
"volume_molar": 19.580492832775228,
"formula_full": "Na2 Ga12 Sb14 Te16 Cl48",
"formula_reduced": "NaGa6Sb7(TeCl3)8",
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"energy": -348.99695387,
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"updated_at": "2021-11-28T01:38:59.152000Z",
"spacegroup": 2
}
]
}