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=formula_full&page=3488",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3486",
"results": [
{
"id": "jvasp-96942",
"created_at": "2022-09-04T14:36:17.738547Z",
"updated_at": "2022-09-04T14:36:17.738568Z",
"structure_string": "Si12 O24\n1.0\n8.302035 -0.000000 -2.935213\n-4.151018 7.189773 -2.935213\n-0.000000 -0.000000 8.805639\nSi O\n12 24\ndirect\n0.885292 0.537627 0.616276 Si\n0.652336 0.614708 0.230984 Si\n0.230983 0.652335 0.614708 Si\n0.614708 0.230984 0.652336 Si\n0.962372 0.847664 0.078649 Si\n0.269016 0.883724 0.421352 Si\n0.421352 0.269016 0.883725 Si\n0.078648 0.962372 0.847665 Si\n0.616276 0.885292 0.537628 Si\n0.847665 0.078648 0.962373 Si\n0.537628 0.616276 0.885293 Si\n0.883724 0.421352 0.269017 Si\n0.117281 0.905714 0.012116 O\n0.487884 0.393598 0.105166 O\n0.594286 0.711567 0.106402 O\n0.581681 0.250000 0.831681 O\n0.106401 0.594285 0.711567 O\n0.711567 0.106402 0.594286 O\n0.668319 0.918319 0.750000 O\n0.105165 0.487884 0.393599 O\n0.012116 0.117281 0.905715 O\n0.394835 0.788433 0.382719 O\n0.918319 0.750000 0.668320 O\n0.788433 0.382718 0.394835 O\n0.250000 0.831681 0.581681 O\n0.393599 0.105165 0.487884 O\n0.073013 0.823013 0.250000 O\n0.750000 0.426987 0.676988 O\n0.382719 0.394835 0.788433 O\n0.823013 0.250000 0.073013 O\n0.831681 0.581681 0.250000 O\n0.905715 0.012116 0.117282 O\n0.250000 0.073013 0.823013 O\n0.426987 0.676987 0.750000 O\n0.750000 0.668319 0.918320 O\n0.676987 0.750000 0.426988 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.2778794347241322,
"density_atomic": 0.06849232126341742,
"volume": 525.6063648587135,
"volume_molar": 8.792431982030807,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4719252000000005,
"spacegroup": 199
},
{
"id": "jvasp-99099",
"created_at": "2022-09-04T14:36:19.143535Z",
"updated_at": "2022-09-04T14:36:19.143576Z",
"structure_string": "Si12 O24\n1.0\n12.732535 0.000000 0.000000\n-6.366268 11.026699 -0.000000\n0.000000 0.000000 3.782341\nSi O\n12 24\ndirect\n0.141909 0.455724 0.342460 Si\n0.858091 0.313815 0.657540 Si\n0.313815 0.858091 0.342460 Si\n0.544276 0.686185 0.342460 Si\n0.141909 0.686185 0.657540 Si\n0.455725 0.313815 0.342460 Si\n0.313815 0.455724 0.657540 Si\n0.858091 0.544276 0.342460 Si\n0.686185 0.544276 0.657540 Si\n0.455725 0.141909 0.657540 Si\n0.686185 0.141909 0.342460 Si\n0.544276 0.858091 0.657540 Si\n0.184017 0.592009 0.500000 O\n0.245850 0.491700 0.000000 O\n0.815983 0.407991 0.500000 O\n0.387301 -0.000000 0.500000 O\n0.179540 0.820460 0.500000 O\n-0.000000 0.387301 0.500000 O\n0.508300 0.754150 0.000000 O\n0.640920 0.820460 0.500000 O\n0.387301 0.387301 0.500000 O\n0.359080 0.179540 0.500000 O\n-0.000000 0.612699 0.500000 O\n0.407991 0.815983 0.500000 O\n0.754150 0.245850 0.000000 O\n0.491700 0.245850 0.000000 O\n0.179540 0.359080 0.500000 O\n0.245850 0.754150 0.000000 O\n0.592009 0.184017 0.500000 O\n0.820460 0.179540 0.500000 O\n0.612699 -0.000000 0.500000 O\n0.592009 0.407991 0.500000 O\n0.820460 0.640920 0.500000 O\n0.754150 0.508300 0.000000 O\n0.407991 0.592009 0.500000 O\n0.612699 0.612699 0.500000 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.254603986907889,
"density_atomic": 0.06779246444699503,
"volume": 531.0324723206863,
"volume_molar": 8.883200823461047,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6496852000000002,
"spacegroup": 177
},
{
"id": "jvasp-97631",
"created_at": "2022-09-04T14:38:14.999899Z",
"updated_at": "2022-09-04T14:38:14.999926Z",
"structure_string": "Si12 O24\n1.0\n10.046065 0.000000 -0.000000\n-5.023032 8.700147 -0.000000\n0.000000 -0.000000 10.310752\nSi O\n12 24\ndirect\n0.568049 0.136098 0.604533 Si\n0.568049 0.431951 0.895467 Si\n0.568049 0.136098 0.895467 Si\n0.431951 0.863903 0.104533 Si\n0.431951 0.863903 0.395467 Si\n0.863902 0.431951 0.895467 Si\n0.136098 0.568049 0.104533 Si\n0.431951 0.568049 0.395467 Si\n0.863902 0.431951 0.604533 Si\n0.568049 0.431951 0.604533 Si\n0.431951 0.568049 0.104533 Si\n0.136098 0.568049 0.395467 Si\n0.061975 0.530987 0.250000 O\n0.500000 -0.000000 0.500000 O\n0.754325 0.508650 0.585934 O\n0.245676 0.754325 0.414066 O\n0.469013 0.530987 0.250000 O\n0.754324 0.245675 0.914066 O\n0.491350 0.245675 0.914066 O\n0.500000 -0.000000 0.000000 O\n0.938025 0.469013 0.750000 O\n0.000000 0.500000 0.000000 O\n0.508649 0.754325 0.414066 O\n0.500000 0.500000 0.500000 O\n0.491350 0.245675 0.585934 O\n0.245676 0.754325 0.085934 O\n0.245675 0.491351 0.414066 O\n0.530987 0.061975 0.750000 O\n0.500000 0.500000 0.000000 O\n0.754324 0.245675 0.585934 O\n0.508649 0.754325 0.085934 O\n0.754325 0.508650 0.914066 O\n0.530987 0.469013 0.750000 O\n0.245675 0.491351 0.085934 O\n0.469013 0.938026 0.250000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.3285516217232178,
"density_atomic": 0.03994749814365003,
"volume": 901.1828443059203,
"volume_molar": 15.075138719187267,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4169285333333337,
"spacegroup": 194
},
{
"id": "jvasp-97720",
"created_at": "2022-09-04T14:36:12.400497Z",
"updated_at": "2022-09-04T14:36:12.400512Z",
"structure_string": "Si12 O24\n1.0\n8.711579 0.000000 -3.080009\n-4.355790 7.544449 -3.080009\n-0.000000 -0.000000 9.240025\nSi O\n12 24\ndirect\n0.249243 0.624622 0.124622 Si\n0.624622 0.500000 0.375378 Si\n0.875378 0.500000 0.124622 Si\n0.875378 0.375378 0.750757 Si\n0.624622 0.124622 0.249243 Si\n0.124622 0.875379 0.500000 Si\n0.500000 0.124622 0.875379 Si\n0.500000 0.375378 0.624622 Si\n0.750757 0.875379 0.375378 Si\n0.375378 0.750757 0.875379 Si\n0.124622 0.249243 0.624622 Si\n0.375378 0.624622 0.500000 Si\n0.262337 0.631169 0.631169 O\n0.368831 0.631169 -0.000000 O\n0.500000 0.912451 0.087549 O\n0.631169 0.000000 0.368831 O\n0.000000 0.631169 0.368831 O\n0.912451 0.087549 0.500000 O\n0.368831 0.737663 0.368831 O\n0.500000 0.587549 0.412451 O\n0.824902 0.412451 0.912451 O\n0.737663 0.368831 0.368831 O\n0.631169 0.368831 -0.000000 O\n0.087549 0.500000 0.912451 O\n0.000000 0.368831 0.631169 O\n0.412451 0.500000 0.587549 O\n0.587549 0.175098 0.087549 O\n0.587549 0.412451 0.500000 O\n0.631169 0.631169 0.262337 O\n0.087549 0.587549 0.175098 O\n0.368831 0.368831 0.737663 O\n0.631169 0.262337 0.631169 O\n0.912451 0.824902 0.412451 O\n0.412451 0.912451 0.824902 O\n0.175098 0.087549 0.587549 O\n0.368831 0.000000 0.631169 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9714864509245769,
"density_atomic": 0.05927955681269586,
"volume": 607.2919896103189,
"volume_molar": 10.158882899593882,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9949085333333332,
"spacegroup": 211
},
{
"id": "jvasp-99286",
"created_at": "2022-09-04T14:35:50.303526Z",
"updated_at": "2022-09-04T14:35:50.303562Z",
"structure_string": "Si12 O24\n1.0\n8.732081 -0.000000 -3.087258\n-4.366040 7.562204 -3.087258\n0.000000 0.000000 9.261770\nSi O\n12 24\ndirect\n0.249050 0.624525 0.124525 Si\n0.624526 0.500000 0.375474 Si\n0.875474 0.500000 0.124525 Si\n0.875474 0.375474 0.750949 Si\n0.624526 0.124526 0.249050 Si\n0.124526 0.875474 0.500000 Si\n0.500000 0.124526 0.875474 Si\n0.500000 0.375474 0.624525 Si\n0.750949 0.875474 0.375474 Si\n0.375474 0.750949 0.875474 Si\n0.124526 0.249050 0.624526 Si\n0.375474 0.624525 0.500000 Si\n0.264037 0.632019 0.632019 O\n0.367981 0.632019 -0.000000 O\n0.500000 0.912831 0.087168 O\n0.632019 -0.000000 0.367981 O\n-0.000000 0.632019 0.367980 O\n0.912831 0.087168 0.500000 O\n0.367981 0.735962 0.367980 O\n0.500000 0.587168 0.412831 O\n0.825663 0.412831 0.912831 O\n0.735962 0.367981 0.367980 O\n0.632019 0.367981 -0.000000 O\n0.087168 0.500000 0.912831 O\n-0.000000 0.367981 0.632019 O\n0.412831 0.500000 0.587168 O\n0.587168 0.174337 0.087168 O\n0.587168 0.412831 0.500000 O\n0.632019 0.632019 0.264037 O\n0.087168 0.587168 0.174337 O\n0.367981 0.367981 0.735962 O\n0.632019 0.264037 0.632019 O\n0.912831 0.825663 0.412831 O\n0.412831 0.912831 0.825662 O\n0.174337 0.087168 0.587168 O\n0.367981 -0.000000 0.632019 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9576327103535975,
"density_atomic": 0.05886299620135584,
"volume": 611.589662830836,
"volume_molar": 10.230775102578429,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9974085333333336,
"spacegroup": 211
},
{
"id": "jvasp-97332",
"created_at": "2022-09-04T14:36:05.007558Z",
"updated_at": "2022-09-04T14:36:05.007584Z",
"structure_string": "Si12 O24\n1.0\n4.984739 -0.000000 0.000000\n0.000000 10.857892 -2.502827\n-0.000000 0.030723 11.142577\nSi O\n12 24\ndirect\n0.376485 0.380376 0.619624 Si\n0.514538 0.993758 0.416446 Si\n0.014538 0.006241 0.583554 Si\n0.014538 0.416446 0.993758 Si\n0.907512 0.755599 0.659518 Si\n0.514538 0.583554 0.006241 Si\n0.907512 0.340481 0.244401 Si\n0.407512 0.659518 0.755599 Si\n0.375194 0.723214 0.276786 Si\n0.875194 0.276786 0.723214 Si\n0.407512 0.244401 0.340482 Si\n0.876486 0.619624 0.380376 Si\n0.098343 0.706215 0.757000 O\n0.432176 0.681281 0.130740 O\n0.932176 0.318718 0.869260 O\n0.598344 0.757000 0.706215 O\n0.098343 0.243000 0.293784 O\n0.598344 0.293784 0.243000 O\n0.495263 0.106406 0.347038 O\n0.820493 0.537179 0.018726 O\n0.995263 0.893593 0.652962 O\n0.495263 0.652962 0.893593 O\n0.995263 0.347038 0.106406 O\n0.941568 0.662068 0.525914 O\n0.441568 0.337931 0.474086 O\n0.941568 0.474086 0.337932 O\n0.320493 0.018726 0.537179 O\n0.441568 0.525914 0.662068 O\n0.562795 0.303557 0.696443 O\n0.432176 0.869260 0.318718 O\n0.932176 0.130740 0.681282 O\n0.062942 0.353739 0.646261 O\n0.562942 0.646261 0.353739 O\n0.320493 0.462821 0.981274 O\n0.062795 0.696442 0.303557 O\n0.820493 0.981273 0.462821 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9840007292088264,
"density_atomic": 0.0596558418590238,
"volume": 603.4614360999833,
"volume_molar": 10.094804753960679,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.394521866666667,
"spacegroup": 36
},
{
"id": "jvasp-97422",
"created_at": "2022-09-04T14:36:08.780748Z",
"updated_at": "2022-09-04T14:36:08.780758Z",
"structure_string": "Si12 O24\n1.0\n5.007229 0.000000 0.000000\n-0.000000 10.892798 -2.390986\n0.000000 0.133602 11.151324\nSi O\n12 24\ndirect\n0.230471 0.994342 0.417524 Si\n0.148233 0.380311 0.619689 Si\n0.230471 0.582475 0.005658 Si\n0.229477 0.246171 0.343213 Si\n0.648233 0.619689 0.380310 Si\n0.648090 0.275176 0.724823 Si\n0.730471 0.417525 0.994341 Si\n0.729477 0.753829 0.656786 Si\n0.729477 0.343213 0.246170 Si\n0.730471 0.005658 0.582475 Si\n0.148090 0.724824 0.275176 Si\n0.229477 0.656787 0.753829 Si\n0.033435 0.292580 0.245743 O\n0.036745 0.988046 0.533408 O\n0.033435 0.754257 0.707420 O\n0.205526 0.870178 0.314265 O\n0.146900 0.108854 0.356195 O\n0.533436 0.707420 0.754257 O\n0.536745 0.011954 0.466591 O\n0.646900 0.891146 0.643804 O\n0.837836 0.696444 0.303556 O\n0.206489 0.340332 0.474564 O\n0.837756 0.351980 0.648019 O\n0.706489 0.474564 0.340331 O\n0.337756 0.648020 0.351980 O\n0.706489 0.659668 0.525436 O\n0.646900 0.356195 0.108854 O\n0.146900 0.643805 0.891146 O\n0.533436 0.245743 0.292580 O\n0.337836 0.303556 0.696443 O\n0.206489 0.525436 0.659668 O\n0.705526 0.314265 0.870178 O\n0.036745 0.466591 0.011954 O\n0.705526 0.129822 0.685735 O\n0.536745 0.533408 0.988045 O\n0.205526 0.685735 0.129822 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9633033113620881,
"density_atomic": 0.059033502427501744,
"volume": 609.8232108828562,
"volume_molar": 10.20122559625479,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3947152000000005,
"spacegroup": 36
},
{
"id": "jvasp-88107",
"created_at": "2022-09-04T14:36:04.514748Z",
"updated_at": "2022-09-04T14:36:04.514775Z",
"structure_string": "Si12 O24\n1.0\n6.859275 0.000000 0.000000\n-3.429638 5.940307 -0.000000\n-0.000000 0.000000 13.574429\nSi O\n12 24\ndirect\n0.176540 0.772460 0.048717 Si\n0.227540 0.823460 0.284617 Si\n0.404080 0.227540 0.951283 Si\n0.595919 0.772460 0.951283 Si\n0.823459 0.595920 0.617950 Si\n0.176540 0.404081 0.617950 Si\n0.823459 0.227540 0.048717 Si\n0.772459 0.176541 0.284617 Si\n0.227540 0.404081 0.382050 Si\n0.595919 0.823460 0.715383 Si\n0.772459 0.595920 0.382050 Si\n0.404080 0.176541 0.715383 Si\n0.817418 0.817419 0.666667 O\n0.605654 0.394345 0.666667 O\n0.182582 -0.000000 0.000000 O\n0.211310 0.605655 0.333333 O\n0.812857 0.187142 0.166667 O\n0.187142 0.812858 0.166667 O\n0.605654 0.211310 0.000000 O\n0.500000 0.500000 0.362711 O\n0.500000 -0.000000 0.303955 O\n-0.000000 0.500000 0.029378 O\n0.394345 0.605655 0.666667 O\n0.394345 0.788691 0.000000 O\n0.187142 0.374285 0.500000 O\n0.182582 0.182582 0.666667 O\n0.500000 -0.000000 0.696045 O\n0.500000 0.500000 0.970622 O\n0.625715 0.812858 0.833333 O\n0.788690 0.394345 0.333333 O\n-0.000000 0.817419 0.333333 O\n-0.000000 0.500000 0.637289 O\n-0.000000 0.182582 0.333333 O\n0.812857 0.625715 0.500000 O\n0.817418 -0.000000 0.000000 O\n0.374285 0.187142 0.833333 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.1646250201663677,
"density_atomic": 0.06508693569816686,
"volume": 553.1063893827455,
"volume_molar": 9.252457033661841,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4826052,
"spacegroup": 181
},
{
"id": "jvasp-12088",
"created_at": "2022-09-04T14:38:02.189794Z",
"updated_at": "2022-09-04T14:38:02.189805Z",
"structure_string": "Si12 P12\n1.0\n3.552551 0.000000 0.000000\n-1.776276 10.378144 0.000000\n0.000000 0.000000 13.750400\nSi P\n12 12\ndirect\n0.171065 0.342130 0.737479 Si\n0.798380 0.596761 0.665154 Si\n0.204577 0.409157 0.336868 Si\n0.795421 0.590842 0.836868 Si\n0.566971 0.133944 0.352011 Si\n0.433027 0.866056 0.852011 Si\n0.201619 0.403238 0.165154 Si\n0.436059 0.872122 0.680123 Si\n0.939535 0.879073 0.279847 Si\n0.060463 0.120927 0.779847 Si\n0.828934 0.657869 0.237479 Si\n0.563939 0.127878 0.180123 Si\n0.310025 0.620052 0.134842 P\n0.689974 0.379948 0.634842 P\n0.458627 0.917256 0.382520 P\n0.541371 0.082743 0.882520 P\n0.655118 0.310236 0.086784 P\n0.768529 0.537059 0.379833 P\n0.231469 0.462941 0.879833 P\n-0.000157 -0.000313 0.137105 P\n0.000157 0.000313 0.637105 P\n0.886527 0.773057 0.930393 P\n0.344880 0.689764 0.586784 P\n0.113471 0.226942 0.430393 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"P"
],
"chemical_system": "P-Si",
"density": 2.321362762598493,
"density_atomic": 0.04734083306432657,
"volume": 506.96192792781824,
"volume_molar": 12.720817041426237,
"formula_full": "Si12 P12",
"formula_reduced": "SiP",
"formula_anonymous": "AB",
"energy_above_hull": 1.95816205,
"spacegroup": 36
},
{
"id": "jvasp-24834",
"created_at": "2022-09-04T14:38:14.680795Z",
"updated_at": "2022-09-04T14:38:14.680811Z",
"structure_string": "Si12 P4 H36\n1.0\n0.000000 5.997034 -0.078879\n12.662064 0.000000 0.000000\n0.000000 -0.729291 -9.438724\nSi P H\n12 4 36\ndirect\n0.888888 0.887743 0.664150 Si\n0.701091 0.954435 0.196514 Si\n0.701091 0.545565 0.696514 Si\n0.298908 0.045565 0.803485 Si\n0.289823 0.719902 0.379738 Si\n0.710176 0.219902 0.120262 Si\n0.298908 0.454435 0.303485 Si\n0.289823 0.780097 0.879738 Si\n0.888888 0.612256 0.164151 Si\n0.111112 0.112256 0.335849 Si\n0.111112 0.387743 0.835849 Si\n0.710176 0.280097 0.620262 Si\n0.269024 0.888764 0.687637 P\n0.730975 0.388764 0.812362 P\n0.730975 0.111236 0.312363 P\n0.269024 0.611236 0.187637 P\n0.533991 0.441885 0.364772 H\n0.141171 0.054535 0.919621 H\n0.248726 0.368539 0.197377 H\n0.751274 0.868539 0.302622 H\n0.751274 0.631460 0.802622 H\n0.248726 0.131461 0.697377 H\n0.466008 0.941885 0.135228 H\n0.471347 0.228427 0.066347 H\n0.533991 0.058115 0.864771 H\n0.151206 0.680075 0.494710 H\n0.848794 0.180075 0.005290 H\n0.848794 0.319925 0.505290 H\n0.151206 0.819924 0.994710 H\n0.528652 0.728427 0.433653 H\n0.858829 0.554535 0.580378 H\n0.466008 0.558115 0.635228 H\n0.858829 0.945465 0.080379 H\n0.208419 0.393119 0.694099 H\n0.204670 0.825609 0.329730 H\n0.808889 0.980583 0.576876 H\n0.191111 0.480583 0.923124 H\n0.191111 0.019417 0.423124 H\n0.808889 0.519417 0.076876 H\n0.817073 0.787388 0.591399 H\n0.182926 0.287388 0.908601 H\n0.182926 0.212612 0.408601 H\n0.817073 0.712612 0.091399 H\n0.791580 0.893119 0.805900 H\n0.471348 0.271573 0.566347 H\n0.208419 0.106881 0.194100 H\n0.791580 0.606881 0.305900 H\n0.204670 0.674390 0.829730 H\n0.795329 0.174391 0.670270 H\n0.795329 0.325609 0.170270 H\n0.141171 0.445465 0.419621 H\n0.528652 0.771573 0.933653 H\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Si",
"P",
"H"
],
"chemical_system": "H-P-Si",
"density": 1.15077598928981,
"density_atomic": 0.07247828385727682,
"volume": 717.4562811448135,
"volume_molar": 8.308889835000386,
"formula_full": "Si12 P4 H36",
"formula_reduced": "Si3PH9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.3557362538461537,
"spacegroup": 14
},
{
"id": "jvasp-55521",
"created_at": "2022-09-04T14:37:06.506620Z",
"updated_at": "2022-09-04T14:37:06.506639Z",
"structure_string": "Si12 Ru8\n1.0\n5.625344 0.000000 0.000000\n0.000000 5.625344 0.000000\n-0.000000 0.000000 8.986626\nSi Ru\n12 8\ndirect\n0.171220 0.828779 0.750000 Si\n0.353536 0.790509 0.089561 Si\n0.790509 0.646463 0.910439 Si\n0.646463 0.209490 0.089561 Si\n0.790509 0.353536 0.410439 Si\n0.209490 0.646463 0.410439 Si\n0.209490 0.353536 0.910439 Si\n0.353536 0.209490 0.589561 Si\n0.828779 0.171220 0.750000 Si\n0.171220 0.171220 0.250000 Si\n0.828779 0.828779 0.250000 Si\n0.646463 0.790509 0.589561 Si\n0.000000 0.500000 0.626564 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.750000 Ru\n0.500000 0.500000 0.250000 Ru\n0.500000 0.000000 0.873437 Ru\n0.000000 0.500000 0.126564 Ru\n0.500000 0.000000 0.373437 Ru\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 6.689319756541256,
"density_atomic": 0.07032911571276478,
"volume": 284.37724258731134,
"volume_molar": 8.562798919007278,
"formula_full": "Si12 Ru8",
"formula_reduced": "Si3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.820465360000001,
"spacegroup": 116
},
{
"id": "jvasp-96830",
"created_at": "2022-09-04T14:36:31.287557Z",
"updated_at": "2022-09-04T14:36:31.287655Z",
"structure_string": "Si16 C16\n1.0\n3.100535 -0.000000 0.000000\n-1.550268 2.685142 0.000000\n0.000000 0.000000 40.588839\nSi C\n16 16\ndirect\n0.333333 0.666666 0.812502 Si\n0.333333 0.666666 0.187452 Si\n0.000000 0.000000 0.624925 Si\n0.666668 0.333333 0.312502 Si\n0.000000 0.000000 0.749979 Si\n0.333333 0.666666 0.999976 Si\n0.333333 0.666666 0.437451 Si\n0.666668 0.333333 0.499976 Si\n0.000000 0.000000 0.124925 Si\n0.000000 0.000000 0.875036 Si\n0.000000 0.000000 0.249979 Si\n0.666668 0.333333 0.062509 Si\n0.666668 0.333333 0.937451 Si\n0.000000 0.000000 0.375036 Si\n0.333333 0.666666 0.562509 Si\n0.666668 0.333333 0.687452 Si\n0.000000 0.000000 0.296822 C\n0.333333 0.666666 0.859509 C\n0.666668 0.333333 0.109369 C\n0.000000 0.000000 0.796822 C\n0.666668 0.333333 0.984306 C\n0.000000 0.000000 0.421895 C\n0.666668 0.333333 0.734462 C\n0.666668 0.333333 0.546984 C\n0.000000 0.000000 0.921895 C\n0.333333 0.666666 0.046984 C\n0.666668 0.333333 0.359509 C\n0.333333 0.666666 0.484306 C\n0.000000 0.000000 0.171781 C\n0.000000 0.000000 0.671781 C\n0.333333 0.666666 0.609369 C\n0.333333 0.666666 0.234462 C\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Si",
"C"
],
"chemical_system": "C-Si",
"density": 3.1525484578560765,
"density_atomic": 0.09469770488221359,
"volume": 337.9173765594644,
"volume_molar": 6.359331271534435,
"formula_full": "Si16 C16",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9295393,
"spacegroup": 186
}
]
}