HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4527",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4525",
"results": [
{
"id": "jvasp-31962",
"created_at": "2022-09-04T14:38:35.594857Z",
"updated_at": "2022-09-04T14:38:35.594885Z",
"structure_string": "Au2 C10 S8 Cl8\n1.0\n8.158447 -0.050845 0.728899\n0.641198 8.409963 2.243800\n0.010168 0.100085 8.727150\nAu C S Cl\n2 10 8 8\ndirect\n0.869085 0.151055 0.151055 Au\n0.130915 0.848944 0.848945 Au\n0.331365 0.658866 0.528780 C\n0.075072 0.520985 0.520986 C\n0.594761 0.051448 0.658568 C\n0.331365 0.528780 0.658867 C\n0.594761 0.658568 0.051448 C\n0.924929 0.479015 0.479015 C\n0.405240 0.341432 0.948552 C\n0.405240 0.948552 0.341432 C\n0.668636 0.471220 0.341133 C\n0.668636 0.341133 0.471220 C\n0.169262 0.687409 0.410166 S\n0.830739 0.589834 0.312591 S\n0.487767 0.478311 0.796984 S\n0.512234 0.521688 0.203016 S\n0.830739 0.312591 0.589834 S\n0.169262 0.410165 0.687409 S\n0.487767 0.796984 0.478312 S\n0.512234 0.203016 0.521688 S\n0.855437 0.382188 0.945712 Cl\n0.683031 0.038099 0.038099 Cl\n0.144564 0.054287 0.617812 Cl\n0.855437 0.945712 0.382188 Cl\n0.079393 0.250392 0.250392 Cl\n0.144564 0.617812 0.054288 Cl\n0.316970 0.961901 0.961901 Cl\n0.920608 0.749608 0.749608 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Au",
"C",
"S",
"Cl"
],
"chemical_system": "Au-C-Cl-S",
"density": 2.931079748718378,
"density_atomic": 0.046883507109522486,
"volume": 597.2249459621363,
"volume_molar": 12.84490246416921,
"formula_full": "Au2 C10 S8 Cl8",
"formula_reduced": "AuC5(SCl)4",
"formula_anonymous": "AB4C4D5",
"energy_above_hull": 3.4535509885714286,
"spacegroup": 12
},
{
"id": "jvasp-98464",
"created_at": "2022-09-04T14:36:18.661450Z",
"updated_at": "2022-09-04T14:36:18.661482Z",
"structure_string": "Ta4 Pd6 Se16\n1.0\n3.596523 0.000000 0.000000\n0.000000 10.793212 0.000000\n0.000000 -0.000000 15.385684\nTa Pd Se\n4 6 16\ndirect\n0.500000 0.785500 0.882508 Ta\n0.500000 0.285500 0.617491 Ta\n0.500000 0.714500 0.382508 Ta\n0.500000 0.214500 0.117491 Ta\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.622251 0.783978 Pd\n0.000000 0.377749 0.216022 Pd\n0.000000 0.122251 0.716021 Pd\n0.000000 0.877749 0.283978 Pd\n0.000000 0.043921 0.156800 Se\n0.000000 0.956079 0.843200 Se\n0.000000 0.730884 0.507753 Se\n0.500000 0.954158 0.384082 Se\n0.000000 0.769115 0.007754 Se\n0.000000 0.456079 0.656800 Se\n0.000000 0.543921 0.343200 Se\n0.500000 0.752300 0.716486 Se\n0.500000 0.247700 0.283513 Se\n0.500000 0.252300 0.783513 Se\n0.500000 0.747700 0.216486 Se\n0.500000 0.545841 0.884082 Se\n0.500000 0.454158 0.115918 Se\n0.500000 0.045842 0.615918 Se\n0.000000 0.230884 -0.007754 Se\n0.000000 0.269115 0.492246 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-Ta",
"density": 7.300273534445024,
"density_atomic": 0.04353344037030225,
"volume": 597.2420231169403,
"volume_molar": 13.833367426913032,
"formula_full": "Ta4 Pd6 Se16",
"formula_reduced": "Ta2Pd3Se8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.745681725641025,
"spacegroup": 55
},
{
"id": "jvasp-25313",
"created_at": "2022-09-04T14:37:49.877966Z",
"updated_at": "2022-09-04T14:37:49.877998Z",
"structure_string": "C60\n1.0\n8.096775 -0.002840 5.432760\n2.895645 7.561284 5.432760\n-0.004131 -0.002840 9.750520\nC\n60\ndirect\n0.874075 0.026906 0.715831 C\n0.916940 0.471918 0.645318 C\n0.528082 0.354682 0.083060 C\n0.054609 0.208886 0.543877 C\n0.428190 0.750380 0.750380 C\n0.750381 0.750380 0.428189 C\n0.456123 0.791113 0.945392 C\n0.874075 0.715831 0.026906 C\n0.263618 0.693714 0.263618 C\n0.054609 0.543877 0.208887 C\n0.945392 0.791113 0.456123 C\n0.354683 0.528082 0.083060 C\n0.263618 0.263618 0.693714 C\n0.026907 0.874075 0.715831 C\n0.471918 0.645317 0.916940 C\n0.083060 0.354682 0.528082 C\n0.888439 0.196256 0.630348 C\n0.284170 0.973094 0.125925 C\n0.208887 0.543877 0.054608 C\n0.111561 0.803743 0.369652 C\n0.630348 0.888439 0.196256 C\n0.369652 0.111560 0.803744 C\n0.125925 0.284169 0.973094 C\n0.803744 0.369652 0.111561 C\n0.791113 0.456123 0.945392 C\n0.715831 0.874075 0.026906 C\n0.543877 0.208886 0.054609 C\n0.803743 0.111560 0.369652 C\n0.750380 0.428189 0.750380 C\n0.693714 0.263618 0.263618 C\n0.196257 0.630348 0.888440 C\n0.249620 0.249620 0.571811 C\n0.026907 0.715831 0.874075 C\n0.471919 0.916940 0.645318 C\n0.715831 0.026906 0.874076 C\n0.528082 0.083060 0.354682 C\n0.249620 0.571810 0.249620 C\n0.916940 0.645317 0.471918 C\n0.888440 0.630348 0.196256 C\n0.571811 0.249620 0.249620 C\n0.196257 0.888439 0.630348 C\n0.791114 0.945391 0.456123 C\n0.736383 0.736382 0.306286 C\n0.306286 0.736382 0.736382 C\n0.645318 0.471918 0.916940 C\n0.083060 0.528082 0.354682 C\n0.973094 0.284169 0.125925 C\n0.543877 0.054608 0.208887 C\n0.208887 0.054608 0.543877 C\n0.973094 0.125925 0.284169 C\n0.354682 0.083060 0.528082 C\n0.945391 0.456123 0.791114 C\n0.456123 0.945391 0.791113 C\n0.736382 0.306286 0.736383 C\n0.645318 0.916940 0.471918 C\n0.125925 0.973094 0.284169 C\n0.630348 0.196256 0.888440 C\n0.284169 0.125925 0.973094 C\n0.111561 0.369652 0.803744 C\n0.369652 0.803743 0.111560 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.0035173650922835,
"density_atomic": 0.10045595670410223,
"volume": 597.2766769494101,
"volume_molar": 5.9948070354239915,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.4254100000000003,
"spacegroup": 166
},
{
"id": "jvasp-76262",
"created_at": "2022-09-04T14:35:53.165295Z",
"updated_at": "2022-09-04T14:35:53.165305Z",
"structure_string": "Ba9 Ag6\n1.0\n8.372439 0.032191 2.714288\n1.983048 8.134268 2.714286\n0.040820 0.032194 8.801331\nBa Ag\n9 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.296421 0.296421 0.296421 Ba\n0.703579 0.703579 0.703579 Ba\n0.336921 0.838434 0.103721 Ba\n0.103720 0.336921 0.838434 Ba\n0.838434 0.103720 0.336921 Ba\n0.663079 0.161565 0.896280 Ba\n0.896280 0.663079 0.161566 Ba\n0.161566 0.896280 0.663079 Ba\n0.646681 0.459566 0.090042 Ag\n0.090042 0.646681 0.459566 Ag\n0.459566 0.090042 0.646681 Ag\n0.353319 0.540434 0.909958 Ag\n0.909958 0.353319 0.540435 Ag\n0.540435 0.909958 0.353320 Ag\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ba",
"Ag"
],
"chemical_system": "Ag-Ba",
"density": 5.23456014208949,
"density_atomic": 0.025109434598469208,
"volume": 597.3850164238454,
"volume_molar": 23.983577712128728,
"formula_full": "Ba9 Ag6",
"formula_reduced": "Ba3Ag2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-95712",
"created_at": "2022-09-04T14:36:08.268543Z",
"updated_at": "2022-09-04T14:36:08.268567Z",
"structure_string": "Nd6 Cu2 Ge2 Se14\n1.0\n10.612464 -0.000001 -0.000000\n-5.306231 9.190664 0.000000\n0.000000 0.000000 6.133223\nNd Cu Ge Se\n6 2 2 14\ndirect\n0.355930 0.131270 0.248709 Nd\n0.868730 0.224660 0.248709 Nd\n0.775340 0.644070 0.248709 Nd\n0.644069 0.868730 0.748709 Nd\n0.224659 0.355930 0.748709 Nd\n0.131270 0.775340 0.748709 Nd\n0.000000 0.000000 0.717532 Cu\n0.000000 0.000000 0.217532 Cu\n0.666667 0.333333 0.831490 Ge\n0.333333 0.666667 0.331490 Ge\n0.096445 0.518250 0.491245 Se\n0.903555 0.481750 0.991245 Se\n0.518250 0.421805 0.991245 Se\n0.095946 0.837852 0.229392 Se\n0.421805 0.903555 0.491245 Se\n0.258093 0.095946 0.729392 Se\n0.481750 0.578195 0.491245 Se\n0.578195 0.096445 0.991245 Se\n0.904054 0.162147 0.729392 Se\n0.162147 0.258093 0.229392 Se\n0.741907 0.904054 0.229392 Se\n0.666667 0.333333 0.447542 Se\n0.333333 0.666667 0.947542 Se\n0.837852 0.741907 0.729392 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Nd",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Nd-Se",
"density": 6.226982327290489,
"density_atomic": 0.04011985831139073,
"volume": 598.2074964902351,
"volume_molar": 15.010373948130841,
"formula_full": "Nd6 Cu2 Ge2 Se14",
"formula_reduced": "Nd3CuGeSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.4141670388888887,
"spacegroup": 173
},
{
"id": "jvasp-55227",
"created_at": "2022-09-04T14:38:36.318066Z",
"updated_at": "2022-09-04T14:38:36.318093Z",
"structure_string": "Tm16 In4 Rh4\n1.0\n8.191937 -0.000000 4.729617\n2.730646 7.723432 4.729617\n0.000000 0.000000 9.459234\nTm In Rh\n16 4 4\ndirect\n0.062268 0.437733 0.062267 Tm\n0.650064 0.650063 0.650063 Tm\n0.650063 0.049812 0.650063 Tm\n0.810566 0.810565 0.189435 Tm\n0.189435 0.810565 0.810565 Tm\n0.189435 0.189435 0.810565 Tm\n0.062267 0.062267 0.437733 Tm\n0.810566 0.189435 0.810565 Tm\n0.437733 0.437733 0.062267 Tm\n0.810566 0.189435 0.189435 Tm\n0.049812 0.650063 0.650063 Tm\n0.437733 0.062267 0.437733 Tm\n0.650064 0.650063 0.049812 Tm\n0.437733 0.062267 0.062267 Tm\n0.062268 0.437733 0.437733 Tm\n0.189435 0.810565 0.189435 Tm\n0.416141 0.416140 0.416140 In\n0.416141 0.416140 0.751578 In\n0.751579 0.416140 0.416140 In\n0.416141 0.751578 0.416140 In\n0.857603 0.857602 0.427192 Rh\n0.857603 0.427192 0.857602 Rh\n0.857603 0.857602 0.857603 Rh\n0.427193 0.857602 0.857602 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"In",
"Rh"
],
"chemical_system": "In-Rh-Tm",
"density": 9.915884696884252,
"density_atomic": 0.04010128984026515,
"volume": 598.4844900400668,
"volume_molar": 15.01732434040875,
"formula_full": "Tm16 In4 Rh4",
"formula_reduced": "Tm4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.342644995,
"spacegroup": 216
},
{
"id": "jvasp-88429",
"created_at": "2022-09-04T14:36:09.823435Z",
"updated_at": "2022-09-04T14:36:09.823463Z",
"structure_string": "Yb16 O24\n1.0\n8.669876 -0.000000 -3.065264\n-4.334938 7.508333 -3.065264\n-0.000000 0.000000 9.195792\nYb O\n16 24\ndirect\n0.500000 0.500000 0.500000 Yb\n0.250000 0.719066 0.469066 Yb\n0.030933 0.750000 0.780934 Yb\n0.780934 0.030934 0.750000 Yb\n0.469066 0.250000 0.719066 Yb\n0.719066 0.469066 0.250000 Yb\n0.750000 0.280934 0.530934 Yb\n0.750000 0.780933 0.030934 Yb\n0.219066 0.969066 0.250000 Yb\n0.530934 0.750000 0.280934 Yb\n0.280934 0.530933 0.750000 Yb\n0.250000 0.219066 0.969066 Yb\n-0.000000 0.500000 0.000000 Yb\n0.500000 0.000000 0.000000 Yb\n0.969067 0.250000 0.219067 Yb\n0.000000 0.000000 0.500000 Yb\n0.962085 0.731131 0.992594 O\n0.537915 0.530508 0.769047 O\n0.238539 0.969492 0.507407 O\n0.730954 0.261460 0.768869 O\n0.030508 0.492593 0.761460 O\n0.992593 0.962085 0.731132 O\n0.231132 0.269046 0.738539 O\n0.268869 0.007407 0.037915 O\n0.230953 0.462085 0.469492 O\n0.462085 0.469492 0.230954 O\n0.761461 0.030508 0.492593 O\n0.269046 0.738539 0.231132 O\n0.037915 0.268868 0.007407 O\n0.261460 0.768868 0.730954 O\n0.492593 0.761460 0.030509 O\n0.007407 0.037915 0.268868 O\n0.469492 0.230953 0.462085 O\n0.969492 0.507407 0.238540 O\n0.768869 0.730953 0.261461 O\n0.731131 0.992593 0.962085 O\n0.769047 0.537915 0.530509 O\n0.530508 0.769046 0.537915 O\n0.738540 0.231131 0.269047 O\n0.507407 0.238539 0.969492 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 8.745324808389974,
"density_atomic": 0.06682122609959718,
"volume": 598.6121826076629,
"volume_molar": 9.012317060785426,
"formula_full": "Yb16 O24",
"formula_reduced": "Yb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.7107487,
"spacegroup": 206
},
{
"id": "jvasp-37573",
"created_at": "2022-09-04T14:37:54.866520Z",
"updated_at": "2022-09-04T14:37:54.866533Z",
"structure_string": "Tl6 Bi2 Cl12\n1.0\n8.969517 0.000000 0.000000\n-0.000000 8.969517 0.000000\n0.000000 0.000000 7.441974\nTl Bi Cl\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.266411 0.082168 0.000000 Tl\n0.733589 0.917833 0.000000 Tl\n0.082168 0.733589 0.500000 Tl\n0.917833 0.266411 0.500000 Tl\n0.000000 0.500000 0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.797579 0.934711 0.500000 Cl\n0.202421 0.065289 0.500000 Cl\n0.205768 0.434036 0.257576 Cl\n0.794232 0.565964 0.257576 Cl\n0.565964 0.205768 0.757576 Cl\n0.434036 0.794232 0.242423 Cl\n0.794232 0.565964 0.742423 Cl\n0.205768 0.434036 0.742423 Cl\n0.065289 0.797579 0.000000 Cl\n0.565964 0.205768 0.242423 Cl\n0.434036 0.794232 0.757576 Cl\n0.934711 0.202421 0.000000 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Tl",
"density": 5.740232994411016,
"density_atomic": 0.033404404393847446,
"volume": 598.7234426991812,
"volume_molar": 18.027984241231316,
"formula_full": "Tl6 Bi2 Cl12",
"formula_reduced": "Tl3BiCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 84
},
{
"id": "jvasp-91243",
"created_at": "2022-09-04T14:36:08.689423Z",
"updated_at": "2022-09-04T14:36:08.689445Z",
"structure_string": "Sr4 Zr4 Si8 O28\n1.0\n7.253854 0.000000 -2.918414\n0.000000 8.115250 0.000000\n0.011966 0.000000 10.167016\nSr Zr Si O\n4 4 8 28\ndirect\n0.283417 0.482158 0.294687 Sr\n0.716583 0.982158 0.205313 Sr\n0.283417 0.017842 0.794687 Sr\n0.716583 0.517842 0.705314 Sr\n0.256709 0.489202 0.744792 Zr\n0.743292 0.989202 0.755209 Zr\n0.743291 0.510798 0.255209 Zr\n0.256708 0.010798 0.244792 Zr\n0.066212 0.246929 0.458529 Si\n0.933788 0.746929 0.041471 Si\n0.933788 0.753071 0.541472 Si\n0.675196 0.213394 0.461201 Si\n0.324804 0.713394 0.038800 Si\n0.324804 0.786606 0.538800 Si\n0.675196 0.286606 0.961201 Si\n0.066212 0.253071 0.958529 Si\n0.807886 0.731281 0.374172 O\n0.012241 0.078520 0.870797 O\n0.987759 0.578520 0.629204 O\n0.987759 0.921480 0.129204 O\n0.012241 0.421480 0.370797 O\n0.192113 0.231281 0.125828 O\n0.631121 0.093739 0.906589 O\n0.868370 0.345907 0.939342 O\n0.368879 0.593739 0.593412 O\n0.368879 0.906261 0.093412 O\n0.631121 0.406261 0.406589 O\n0.695847 0.293487 0.126816 O\n0.304152 0.793487 0.373185 O\n0.304152 0.706513 0.873185 O\n0.695848 0.206513 0.626816 O\n0.525164 0.409521 0.850463 O\n0.192113 0.268719 0.625829 O\n0.474836 0.909521 0.649538 O\n0.525164 0.090479 0.350463 O\n0.172831 0.366613 0.882129 O\n0.827169 0.866613 0.617872 O\n0.827169 0.633387 0.117872 O\n0.172831 0.133387 0.382128 O\n0.868370 0.154093 0.439342 O\n0.131630 0.654093 0.060658 O\n0.131630 0.845907 0.560658 O\n0.474836 0.590479 0.149538 O\n0.807887 0.768719 0.874172 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr-Zr",
"density": 3.849304466145516,
"density_atomic": 0.07348232004410067,
"volume": 598.7834893290419,
"volume_molar": 8.195360130689656,
"formula_full": "Sr4 Zr4 Si8 O28",
"formula_reduced": "SrZrSi2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.6598829554545453,
"spacegroup": 14
},
{
"id": "jvasp-12523",
"created_at": "2022-09-04T14:37:05.173994Z",
"updated_at": "2022-09-04T14:37:05.174009Z",
"structure_string": "K4 Te2 Br12\n1.0\n7.338840 0.000000 0.000000\n-0.000000 7.338840 0.000000\n-0.000000 -0.000000 11.119901\nK Te Br\n4 2 12\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.697988 0.184484 0.500000 Br\n0.315516 0.802012 0.000000 Br\n0.684484 0.197988 0.000000 Br\n0.197988 0.315516 0.000000 Br\n0.500000 0.500000 0.746737 Br\n0.000000 0.000000 0.246737 Br\n0.500000 0.500000 0.253263 Br\n0.302012 0.815516 0.500000 Br\n0.815516 0.697988 0.500000 Br\n0.184484 0.302012 0.500000 Br\n0.000000 0.000000 0.753263 Br\n0.802012 0.684484 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Te",
"Br"
],
"chemical_system": "Br-K-Te",
"density": 3.799738807325605,
"density_atomic": 0.03005500091674321,
"volume": 598.90199470839,
"volume_molar": 20.037067297659448,
"formula_full": "K4 Te2 Br12",
"formula_reduced": "K2TeBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.00103,
"spacegroup": 128
},
{
"id": "jvasp-59038",
"created_at": "2022-09-04T14:38:30.450535Z",
"updated_at": "2022-09-04T14:38:30.450559Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.313943 0.026095 -0.076156\n-0.146171 9.249209 0.020547\n-3.062022 -3.212645 10.285143\nNb Te Cl\n2 2 18\ndirect\n0.118796 0.255737 0.702407 Nb\n0.881203 0.744262 0.297593 Nb\n0.301380 0.322549 0.168134 Te\n0.698619 0.677450 0.831866 Te\n0.378717 0.143152 0.607309 Cl\n0.621283 0.856847 0.392691 Cl\n0.399747 0.302685 0.917481 Cl\n0.600253 0.697314 0.082518 Cl\n0.877962 0.392895 0.829556 Cl\n0.122037 0.607104 0.170443 Cl\n0.972759 0.035871 0.721214 Cl\n0.027241 0.964128 0.278786 Cl\n0.746564 0.490594 0.294587 Cl\n0.057481 0.804953 0.937795 Cl\n0.849862 0.245374 0.509575 Cl\n0.150137 0.754625 0.490425 Cl\n0.719046 0.639517 0.618748 Cl\n0.280954 0.360482 0.381252 Cl\n0.520285 0.902820 0.834617 Cl\n0.479714 0.097179 0.165382 Cl\n0.253436 0.509405 0.705412 Cl\n0.942518 0.195046 0.062204 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Cl"
],
"chemical_system": "Cl-Nb-Te",
"density": 2.992131796305705,
"density_atomic": 0.036733790321074676,
"volume": 598.9036200105465,
"volume_molar": 16.394008642623017,
"formula_full": "Nb2 Te2 Cl18",
"formula_reduced": "NbTeCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7158967067424241,
"spacegroup": 2
},
{
"id": "jvasp-5716",
"created_at": "2022-09-04T14:37:29.618067Z",
"updated_at": "2022-09-04T14:37:29.618098Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.314358 0.026154 -0.075948\n-0.146086 9.249223 0.019943\n-3.061878 -3.213344 10.285388\nNb Te Cl\n2 2 18\ndirect\n0.118785 0.255752 0.702397 Nb\n0.881214 0.744248 0.297603 Nb\n0.301379 0.322545 0.168129 Te\n0.698620 0.677455 0.831871 Te\n0.378683 0.143131 0.607293 Cl\n0.621317 0.856868 0.392706 Cl\n0.399737 0.302681 0.917480 Cl\n0.600262 0.697319 0.082519 Cl\n0.877977 0.392893 0.829563 Cl\n0.122022 0.607106 0.170437 Cl\n0.972770 0.035890 0.721216 Cl\n0.027229 0.964110 0.278784 Cl\n0.746541 0.490608 0.294614 Cl\n0.057474 0.804926 0.937793 Cl\n0.849855 0.245383 0.509578 Cl\n0.150144 0.754617 0.490421 Cl\n0.719076 0.639529 0.618759 Cl\n0.280923 0.360471 0.381241 Cl\n0.520374 0.902856 0.834642 Cl\n0.479625 0.097143 0.165358 Cl\n0.253458 0.509392 0.705386 Cl\n0.942526 0.195073 0.062207 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Cl"
],
"chemical_system": "Cl-Nb-Te",
"density": 2.9918881587924497,
"density_atomic": 0.0367307992331362,
"volume": 598.952390345838,
"volume_molar": 16.395343650914096,
"formula_full": "Nb2 Te2 Cl18",
"formula_reduced": "NbTeCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7158967067424241,
"spacegroup": 2
}
]
}