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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4478",
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"results": [
{
"id": "jvasp-34263",
"created_at": "2022-09-04T14:37:13.890750Z",
"updated_at": "2022-09-04T14:37:13.890783Z",
"structure_string": "Li4 C1 O4\n1.0\n3.937441 0.000004 1.867692\n1.968773 4.514830 0.933746\n0.033799 -0.000110 5.013033\nLi C O\n4 1 4\ndirect\n0.044883 0.999991 0.657594 Li\n0.297530 0.657594 -0.000007 Li\n0.955116 0.342405 0.000009 Li\n0.702469 0.000007 0.342405 Li\n0.500001 0.000002 -0.000003 C\n0.818713 0.748459 -0.000004 O\n0.181285 0.000005 0.251541 O\n0.432831 -0.000007 0.748457 O\n0.567169 0.251541 0.000007 O\n",
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"formula_full": "Li4 C1 O4",
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{
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"structure_string": "Mg1 P1 H1\n1.0\n0.000000 2.888211 2.888211\n2.888211 0.000000 2.888211\n2.888211 2.888211 0.000000\nMg P H\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 P\n0.749999 0.749999 0.749999 H\n",
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{
"id": "jvasp-114352",
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"structure_string": "Na1 Mg1 O1\n1.0\n4.127221 -0.000000 -0.000000\n-2.063611 3.574278 0.000000\n-0.000000 -0.000000 3.673252\nNa Mg O\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.000000 O\n",
"nsites": 3,
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"elements": [
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"volume": 54.187208230817575,
"volume_molar": 10.877433178580468,
"formula_full": "Na1 Mg1 O1",
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{
"id": "jvasp-35166",
"created_at": "2022-09-04T14:38:16.113823Z",
"updated_at": "2022-09-04T14:38:16.113850Z",
"structure_string": "Li8 N1 O3\n1.0\n4.651460 -0.000000 0.000000\n-0.000000 4.651460 0.000000\n-0.000000 -0.000000 4.651460\nLi N O\n8 1 3\ndirect\n0.252929 0.252929 0.252929 Li\n0.747071 0.747071 0.252929 Li\n0.747071 0.252929 0.747071 Li\n0.252929 0.747071 0.747071 Li\n0.252929 0.252929 0.747071 Li\n0.747071 0.747071 0.747071 Li\n0.747071 0.252929 0.252929 Li\n0.252929 0.747071 0.252929 Li\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
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"elements": [
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"O"
],
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"density": 1.9392807104614924,
"density_atomic": 0.11923764068363285,
"volume": 100.63936128893214,
"volume_molar": 5.050536663987036,
"formula_full": "Li8 N1 O3",
"formula_reduced": "Li8NO3",
"formula_anonymous": "AB3C8",
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"spacegroup": 221
},
{
"id": "jvasp-91875",
"created_at": "2022-09-04T14:35:48.809897Z",
"updated_at": "2022-09-04T14:35:48.809929Z",
"structure_string": "Mg7 C1\n1.0\n6.112147 -0.000000 -0.000000\n-3.056074 5.293274 -0.000000\n0.000000 0.000000 4.823722\nMg C\n7 1\ndirect\n0.165187 0.832592 0.250000 Mg\n0.667408 0.334813 0.250000 Mg\n0.667408 0.832592 0.250000 Mg\n0.324980 0.175020 0.750000 Mg\n0.324980 0.649961 0.750000 Mg\n0.850039 0.175020 0.750000 Mg\n0.833334 0.666666 0.750000 Mg\n0.166667 0.333333 0.250000 C\n",
"nsites": 8,
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"elements": [
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"density": 1.9380616322393243,
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},
{
"id": "jvasp-9698",
"created_at": "2022-09-04T14:37:08.008836Z",
"updated_at": "2022-09-04T14:37:08.008867Z",
"structure_string": "Na6 Al2 P4\n1.0\n5.597653 -0.000000 -2.293655\n-1.164982 5.985296 -2.843134\n0.026284 0.043561 8.041495\nNa Al P\n6 2 4\ndirect\n0.749990 0.500000 -0.000000 Na\n0.250010 0.500000 0.000000 Na\n0.808970 0.001089 0.617943 Na\n0.308959 0.616845 0.617919 Na\n0.691040 0.383156 0.382082 Na\n0.191028 -0.001089 0.382057 Na\n0.250002 0.000000 -0.000000 Al\n0.749998 0.000000 -0.000001 Al\n0.397791 0.096338 0.795584 P\n0.602209 0.903662 0.204416 P\n0.897791 0.699246 0.795583 P\n0.102208 0.300755 0.204417 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Al",
"P"
],
"chemical_system": "Al-Na-P",
"density": 1.9379636307654071,
"density_atomic": 0.04434760058792823,
"volume": 270.58961118330484,
"volume_molar": 13.579406056162766,
"formula_full": "Na6 Al2 P4",
"formula_reduced": "Na3AlP2",
"formula_anonymous": "AB2C3",
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{
"id": "jvasp-118752",
"created_at": "2022-09-04T14:38:50.072906Z",
"updated_at": "2022-09-04T14:38:50.072928Z",
"structure_string": "N1 Cl2\n1.0\n6.171361 0.000000 0.000000\n0.000000 3.759410 0.000000\n0.000000 0.000000 3.136005\nN Cl\n1 2\ndirect\n0.000000 0.274317 0.000000 N\n0.229401 0.022841 0.000000 Cl\n0.770599 0.022841 0.000000 Cl\n",
"nsites": 3,
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"elements": [
"N",
"Cl"
],
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"density": 1.9379579862599947,
"density_atomic": 0.0412328984389507,
"volume": 72.75743674536464,
"volume_molar": 14.605184180579403,
"formula_full": "N1 Cl2",
"formula_reduced": "NCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8451804616666665,
"spacegroup": 25
},
{
"id": "jvasp-113646",
"created_at": "2022-09-04T14:38:47.997522Z",
"updated_at": "2022-09-04T14:38:47.997545Z",
"structure_string": "Al1 H1 O1\n1.0\n3.364259 -0.000000 -0.000000\n-1.682130 2.913534 -0.000000\n0.000000 0.000000 3.845451\nAl H O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666666 0.000000 H\n0.666667 0.333333 0.000000 O\n",
"nsites": 3,
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"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 1.937917091305229,
"density_atomic": 0.07959109129744607,
"volume": 37.69266071234614,
"volume_molar": 7.566350280955678,
"formula_full": "Al1 H1 O1",
"formula_reduced": "AlHO",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-25148",
"created_at": "2022-09-04T14:37:44.905592Z",
"updated_at": "2022-09-04T14:37:44.905619Z",
"structure_string": "Si34\n1.0\n9.092536 0.000000 5.249579\n3.030846 8.572525 5.249579\n0.000000 0.000000 10.499156\nSi\n34\ndirect\n0.875001 0.875000 0.875000 Si\n0.739186 0.504410 0.128203 Si\n0.871797 0.260814 0.871797 Si\n0.260815 0.871797 0.871797 Si\n0.871798 0.871797 0.260814 Si\n0.871798 0.871797 0.495591 Si\n0.871797 0.495591 0.260814 Si\n0.495591 0.871797 0.260814 Si\n0.128203 0.504410 0.128203 Si\n0.128203 0.739186 0.504409 Si\n0.739186 0.128203 0.504409 Si\n0.504410 0.128203 0.128203 Si\n0.128203 0.504410 0.739186 Si\n0.504410 0.128203 0.739186 Si\n0.128203 0.739186 0.128203 Si\n0.739186 0.128203 0.128203 Si\n0.495591 0.260814 0.871797 Si\n0.260815 0.495591 0.871797 Si\n0.125000 0.125000 0.125000 Si\n0.762719 0.762718 0.762718 Si\n0.237282 0.237282 0.788154 Si\n0.788154 0.237282 0.237282 Si\n0.237282 0.788154 0.237282 Si\n0.211846 0.762718 0.762718 Si\n0.504410 0.739186 0.128203 Si\n0.762718 0.211846 0.762718 Si\n0.237282 0.237282 0.237282 Si\n0.128203 0.128203 0.739186 Si\n0.871797 0.260814 0.495591 Si\n0.495591 0.871797 0.871797 Si\n0.871797 0.495591 0.871797 Si\n0.260815 0.871797 0.495591 Si\n0.762719 0.762718 0.211846 Si\n0.128203 0.128203 0.504409 Si\n",
"nsites": 34,
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"elements": [
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],
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"density": 1.9375904989619686,
"density_atomic": 0.04154614560545468,
"volume": 818.3671314033057,
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{
"id": "jvasp-112186",
"created_at": "2022-09-04T14:38:42.002496Z",
"updated_at": "2022-09-04T14:38:42.002520Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.873808 -0.036839 -0.005423\n0.571751 4.338201 0.466588\n-0.286602 0.066629 17.372259\nCd H C O\n1 20 12 4\ndirect\n0.887098 -0.024559 0.866676 Cd\n0.951130 0.762933 0.541231 H\n0.068803 0.210500 0.614753 H\n0.513046 0.598348 0.022454 H\n0.348889 0.478865 0.196543 H\n0.773513 0.492642 0.163675 H\n0.592738 0.389967 0.334870 H\n0.021426 0.386261 0.303138 H\n0.832349 0.301334 0.474579 H\n0.263095 0.280890 0.443420 H\n0.100441 0.586487 0.061342 H\n0.505453 0.162909 0.586040 H\n0.292104 0.028656 0.119238 H\n0.708783 0.060618 0.083047 H\n0.516875 0.939712 0.259580 H\n0.942390 0.946385 0.226263 H\n0.737133 0.851588 0.400631 H\n0.165170 0.841026 0.368029 H\n0.142276 0.668601 0.681877 H\n0.573581 0.616111 0.652475 H\n0.381201 0.735011 0.509619 H\n0.202784 0.315262 0.968460 C\n0.322910 0.441287 0.040524 C\n0.478740 0.194472 0.104640 C\n0.577911 0.334393 0.177649 C\n0.715533 0.094316 0.244921 C\n0.817548 0.236623 0.317344 C\n0.278628 0.039698 0.598640 C\n0.051380 0.139949 0.457718 C\n0.165953 0.900138 0.526643 C\n0.365493 0.792653 0.667323 C\n0.498983 0.904063 0.740143 C\n0.943635 0.997750 0.385735 C\n0.946319 0.459166 0.926480 O\n0.415348 0.775663 0.806559 O\n0.712375 0.102959 0.736490 O\n0.345767 0.054146 0.951655 O\n",
"nsites": 37,
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"elements": [
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],
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"density_atomic": 0.12662972388666813,
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"formula_full": "Cd1 H20 C12 O4",
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{
"id": "jvasp-101886",
"created_at": "2022-09-04T14:36:50.583641Z",
"updated_at": "2022-09-04T14:36:50.583671Z",
"structure_string": "Sn1 H20 C11 O6\n1.0\n4.864703 -0.049261 0.432993\n0.059459 6.558795 2.452150\n0.022234 -0.252173 9.778181\nSn H C O\n1 20 11 6\ndirect\n0.970591 0.631015 0.998281 Sn\n0.493758 0.861650 0.406558 H\n0.643341 0.410222 0.183931 H\n0.193224 0.815534 0.527990 H\n0.934358 0.005504 0.292135 H\n0.038877 0.753055 0.319123 H\n0.431207 0.097040 0.144930 H\n0.150005 0.037600 0.062915 H\n0.725578 0.167412 0.436407 H\n0.467393 0.500761 0.402812 H\n0.296581 0.848061 0.809107 H\n0.098698 0.163389 0.483901 H\n0.544843 0.067577 0.609251 H\n0.931516 0.487104 0.479285 H\n0.713096 0.622778 0.568553 H\n0.323770 0.401657 0.582687 H\n0.463447 0.187357 0.822037 H\n0.728664 0.188275 0.933498 H\n0.021098 0.407153 0.735600 H\n0.930417 0.189239 0.698504 H\n0.293171 0.242135 0.316175 H\n0.630140 0.280420 0.835692 C\n0.849684 0.333865 0.707127 C\n0.756679 0.469848 0.562134 C\n0.507696 0.394513 0.510744 C\n0.292226 0.133369 0.427594 C\n0.115697 0.906581 0.299213 C\n0.286782 0.976484 0.151034 C\n0.282779 0.917258 0.422229 C\n0.443547 0.806281 0.118223 C\n0.500658 0.456072 0.873694 C\n0.532595 0.180970 0.500230 C\n0.704057 0.825307 0.086066 O\n0.112200 0.880192 0.844746 O\n0.828944 0.379750 0.148845 O\n0.640311 0.613117 0.864143 O\n0.243656 0.439704 0.915779 O\n0.316745 0.645349 0.123979 O\n",
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],
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"density_atomic": 0.12065296262567513,
"volume": 314.9528960834116,
"volume_molar": 4.991291244694625,
"formula_full": "Sn1 H20 C11 O6",
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"formula_anonymous": "AB6C11D20",
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"spacegroup": 1
},
{
"id": "jvasp-91892",
"created_at": "2022-09-04T14:37:40.677322Z",
"updated_at": "2022-09-04T14:37:40.677336Z",
"structure_string": "Mg7 Si1\n1.0\n6.227290 0.000000 -0.000000\n-3.113645 5.392991 0.000000\n0.000000 -0.000000 5.065663\nMg Si\n7 1\ndirect\n0.165304 0.832651 0.250000 Mg\n0.667348 0.334695 0.250000 Mg\n0.667348 0.832651 0.250000 Mg\n0.330694 0.169306 0.750000 Mg\n0.330693 0.661388 0.750000 Mg\n0.838612 0.169306 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Si\n",
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"formula_full": "Mg7 Si1",
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}
]
}