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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3579",
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"results": [
{
"id": "jvasp-29383",
"created_at": "2022-09-04T14:37:50.656182Z",
"updated_at": "2022-09-04T14:37:50.656196Z",
"structure_string": "Tl8 Se12 O36\n1.0\n4.558729 0.000000 -0.523856\n0.000000 11.417444 0.000000\n0.000350 0.000000 16.904100\nTl Se O\n8 12 36\ndirect\n0.816133 0.061114 0.705298 Tl\n0.683868 0.561113 0.794701 Tl\n0.266280 0.849913 0.875224 Tl\n0.766280 0.650086 0.375224 Tl\n0.183867 0.938886 0.294702 Tl\n0.233720 0.349914 0.624775 Tl\n0.316133 0.438886 0.205298 Tl\n0.733720 0.150086 0.124775 Tl\n0.275893 0.105595 0.540547 Se\n0.307880 0.821681 0.686426 Se\n0.783641 0.559080 0.587298 Se\n0.807880 0.678318 0.186426 Se\n0.283640 0.940920 0.087299 Se\n0.216360 0.440920 0.412701 Se\n0.724107 0.894405 0.459452 Se\n0.775893 0.394405 0.040547 Se\n0.692120 0.178318 0.313574 Se\n0.716360 0.059080 0.912701 Se\n0.192120 0.321682 0.813574 Se\n0.224107 0.605595 0.959452 Se\n0.029729 0.025925 0.587717 O\n0.790075 0.629853 0.678166 O\n0.686253 0.566147 0.248247 O\n0.288003 0.586465 0.388464 O\n0.892367 0.388373 0.843709 O\n0.970271 0.974075 0.412283 O\n0.290075 0.870146 0.178166 O\n0.711997 0.413535 0.611536 O\n0.654993 0.964845 0.080907 O\n0.788003 0.913534 0.888464 O\n0.529730 0.474075 0.087717 O\n0.571451 0.259748 0.226730 O\n0.845008 0.464845 0.419093 O\n0.813747 0.066147 0.251752 O\n0.313747 0.433852 0.751753 O\n0.071451 0.240252 0.726730 O\n0.928549 0.759747 0.273270 O\n0.400884 0.736398 0.984203 O\n0.107633 0.611626 0.156291 O\n0.709925 0.129853 0.821834 O\n0.997565 0.330749 0.122627 O\n0.502435 0.830749 0.377372 O\n0.470271 0.525925 0.912283 O\n0.607633 0.888373 0.656290 O\n0.345008 0.035154 0.919093 O\n0.392367 0.111627 0.343709 O\n0.428549 0.740252 0.773270 O\n0.002435 0.669251 0.877372 O\n0.209925 0.370147 0.321834 O\n0.211997 0.086465 0.111536 O\n0.154992 0.535154 0.580907 O\n0.497565 0.169251 0.622627 O\n0.186253 0.933852 0.748247 O\n0.099116 0.236398 0.515796 O\n0.900884 0.763602 0.484203 O\n0.599117 0.263602 0.015796 O\n",
"nsites": 56,
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],
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"volume": 879.8441532799964,
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"formula_full": "Tl8 Se12 O36",
"formula_reduced": "Tl2(SeO3)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 14
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{
"id": "jvasp-2400",
"created_at": "2022-09-04T14:36:57.849949Z",
"updated_at": "2022-09-04T14:36:57.849972Z",
"structure_string": "Tl2 Si1 F6\n1.0\n5.179175 -0.000000 2.990198\n1.726392 4.882973 2.990198\n0.000000 0.000000 5.980396\nTl Si F\n2 1 6\ndirect\n0.749999 0.750000 0.750002 Tl\n0.250000 0.250000 0.250001 Tl\n0.000000 0.000000 0.000000 Si\n0.203767 0.796232 0.796234 F\n0.203767 0.796232 0.203768 F\n0.796232 0.203767 0.796234 F\n0.796232 0.203767 0.203768 F\n0.796232 0.796232 0.203769 F\n0.203767 0.203767 0.796233 F\n",
"nsites": 9,
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"elements": [
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"density_atomic": 0.05950694550753361,
"volume": 151.24284943949266,
"volume_molar": 10.120063647423466,
"formula_full": "Tl2 Si1 F6",
"formula_reduced": "Tl2SiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-116497",
"created_at": "2022-09-04T14:38:50.920367Z",
"updated_at": "2022-09-04T14:38:50.920390Z",
"structure_string": "Tl6 Si2 F14\n1.0\n7.836183 0.004621 0.000000\n-3.922529 6.783771 0.000000\n-0.000000 -0.000000 6.905707\nTl Si F\n6 2 14\ndirect\n0.163772 0.836228 0.770154 Tl\n0.672669 0.836246 0.770205 Tl\n0.836246 0.672670 0.270205 Tl\n0.163753 0.327330 0.770205 Tl\n0.327330 0.163753 0.270205 Tl\n0.836228 0.163772 0.270154 Tl\n0.333294 0.666706 0.235803 Si\n0.666705 0.333294 0.735804 Si\n0.562964 0.125960 0.591994 F\n0.770565 0.229434 0.877887 F\n0.562976 0.437024 0.592162 F\n0.459118 0.229430 0.878077 F\n0.874040 0.437036 0.591994 F\n0.770569 0.540881 0.878077 F\n0.540881 0.770569 0.378077 F\n0.229430 0.459118 0.378077 F\n0.000023 -0.000023 0.030119 F\n0.437036 0.874040 0.091993 F\n0.125959 0.562964 0.091993 F\n-0.000023 0.000023 0.530119 F\n0.437023 0.562976 0.092162 F\n0.229434 0.770566 0.377887 F\n",
"nsites": 22,
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"density_atomic": 0.05990881436694622,
"volume": 367.22476037079053,
"volume_molar": 10.052178170500776,
"formula_full": "Tl6 Si2 F14",
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},
{
"id": "jvasp-51289",
"created_at": "2022-09-04T14:37:02.953894Z",
"updated_at": "2022-09-04T14:37:02.953913Z",
"structure_string": "Tl2 Si1 Ni1\n1.0\n0.000000 3.461219 3.461219\n3.461219 0.000000 3.461219\n3.461219 3.461219 -0.000000\nTl Si Ni\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ni\n",
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"elements": [
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"formula_full": "Tl2 Si1 Ni1",
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"spacegroup": 225
},
{
"id": "jvasp-98218",
"created_at": "2022-09-04T14:36:04.159004Z",
"updated_at": "2022-09-04T14:36:04.159022Z",
"structure_string": "Tl12 Si4 O14\n1.0\n9.698968 0.000002 0.000000\n-4.849486 8.399551 0.000000\n-0.000000 0.000000 8.022496\nTl Si O\n12 4 14\ndirect\n0.354237 0.304942 0.120764 Tl\n0.950705 0.645763 0.120764 Tl\n0.645763 0.695057 0.879236 Tl\n0.304942 0.950705 0.879236 Tl\n0.049295 0.354237 0.879236 Tl\n0.347875 0.313199 0.630688 Tl\n0.686801 0.034676 0.630688 Tl\n0.965324 0.652125 0.630688 Tl\n0.652125 0.686801 0.369313 Tl\n0.313198 0.965324 0.369313 Tl\n0.034676 0.347875 0.369313 Tl\n0.695058 0.049295 0.120764 Tl\n0.666667 0.333333 0.832996 Si\n0.333333 0.666666 0.583226 Si\n0.666667 0.333333 0.416775 Si\n0.333333 0.666666 0.167005 Si\n0.147380 0.549628 0.112054 O\n0.148125 0.546242 0.638865 O\n0.453757 0.601882 0.638865 O\n0.398117 0.851875 0.638865 O\n0.851875 0.453757 0.361135 O\n0.546242 0.398117 0.361135 O\n0.601882 0.148125 0.361135 O\n0.333333 0.666666 0.375308 O\n0.666667 0.333333 0.624692 O\n0.402247 0.852619 0.112054 O\n0.597752 0.147380 0.887946 O\n0.549628 0.402247 0.887946 O\n0.450372 0.597752 0.112054 O\n0.852620 0.450372 0.887946 O\n",
"nsites": 30,
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],
"chemical_system": "O-Si-Tl",
"density": 7.085916836596363,
"density_atomic": 0.04590184012121611,
"volume": 653.5685698171785,
"volume_molar": 13.11960641250312,
"formula_full": "Tl12 Si4 O14",
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"formula_anonymous": "A2B6C7",
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},
{
"id": "jvasp-35490",
"created_at": "2022-09-04T14:37:57.976729Z",
"updated_at": "2022-09-04T14:37:57.976762Z",
"structure_string": "Tl1 Si1 Pt5\n1.0\n4.006584 0.000000 0.000000\n0.000000 4.006584 -0.000000\n0.000000 -0.000000 7.298405\nTl Si Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.301642 Pt\n0.000000 0.500000 0.698358 Pt\n0.500000 0.000000 0.301642 Pt\n0.500000 0.000000 0.698358 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
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],
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"volume": 117.15921796712706,
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"formula_full": "Tl1 Si1 Pt5",
"formula_reduced": "TlSiPt5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.502801171428572,
"spacegroup": 123
},
{
"id": "jvasp-10215",
"created_at": "2022-09-04T14:38:16.169808Z",
"updated_at": "2022-09-04T14:38:16.169822Z",
"structure_string": "Tl4 Si2 S6\n1.0\n6.710369 0.017266 -0.006377\n-2.597756 -6.209269 0.094300\n-3.160373 1.209409 -7.728174\nTl Si S\n4 2 6\ndirect\n0.737184 0.312214 0.110258 Tl\n0.262816 0.687785 0.889742 Tl\n0.886388 0.060911 0.673044 Tl\n0.113612 0.939088 0.326956 Tl\n0.431864 0.547502 0.321438 Si\n0.568136 0.452498 0.678562 Si\n0.754390 0.696599 0.900022 S\n0.245609 0.303400 0.099978 S\n0.515503 0.870659 0.273515 S\n0.484497 0.129340 0.726485 S\n0.247554 0.477647 0.496475 S\n0.752446 0.522352 0.503525 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.514342153115777,
"density_atomic": 0.037379223700503054,
"volume": 321.0339544809354,
"volume_molar": 16.110930521863548,
"formula_full": "Tl4 Si2 S6",
"formula_reduced": "Tl2SiS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2854723,
"spacegroup": 2
},
{
"id": "jvasp-10250",
"created_at": "2022-09-04T14:38:15.941523Z",
"updated_at": "2022-09-04T14:38:15.941547Z",
"structure_string": "Tl8 Si2 S8\n1.0\n7.264146 0.003583 2.191178\n2.267998 8.141493 0.912047\n-0.017006 0.005720 8.500543\nTl Si S\n8 2 8\ndirect\n0.486510 0.597757 0.372662 Tl\n0.581234 0.992936 0.245249 Tl\n0.081233 0.245249 0.992936 Tl\n0.552717 0.405729 0.981564 Tl\n0.052717 0.981563 0.405730 Tl\n0.576943 0.785731 0.786900 Tl\n0.076942 0.786900 0.785731 Tl\n-0.013491 0.372662 0.597758 Tl\n0.028921 0.619283 0.201251 Si\n0.528921 0.201250 0.619284 Si\n0.204382 0.780463 0.086762 S\n0.352234 0.050389 0.603235 S\n0.844344 0.720682 0.430516 S\n0.203919 0.379148 0.248139 S\n0.703919 0.248139 0.379148 S\n0.704382 0.086761 0.780464 S\n0.852235 0.603235 0.050390 S\n0.344343 0.430515 0.720682 S\n",
"nsites": 18,
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"elements": [
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"density": 6.430645083026793,
"density_atomic": 0.03578846615381872,
"volume": 502.95533546020255,
"volume_molar": 16.827043478524217,
"formula_full": "Tl8 Si2 S8",
"formula_reduced": "Tl4SiS4",
"formula_anonymous": "AB4C4",
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"spacegroup": 9
},
{
"id": "jvasp-91346",
"created_at": "2022-09-04T14:36:12.801886Z",
"updated_at": "2022-09-04T14:36:12.801920Z",
"structure_string": "Tl16 Si4 Se16\n1.0\n6.936707 -0.019204 -0.914193\n-3.141073 6.249813 -0.165852\n-0.052306 0.003332 25.016677\nTl Si Se\n16 4 16\ndirect\n0.728551 0.349539 -0.000290 Tl\n0.271450 0.650461 0.000290 Tl\n0.150171 0.271159 0.499710 Tl\n0.433202 0.328382 0.321768 Tl\n0.506614 0.111434 0.178232 Tl\n0.566799 0.671618 0.678232 Tl\n0.493386 0.888566 0.821768 Tl\n0.103448 0.331746 0.164036 Tl\n0.667711 0.939412 0.335965 Tl\n0.896553 0.668254 0.835965 Tl\n0.332289 0.060588 0.664036 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.082087 0.832087 0.250000 Tl\n0.917913 0.167913 0.750000 Tl\n0.849829 0.728840 0.500290 Tl\n0.935527 0.440383 0.623479 Si\n0.683097 0.687952 0.123479 Si\n0.064473 0.559617 0.376521 Si\n0.316903 0.312047 0.876521 Si\n0.609472 0.417687 0.582931 Se\n0.014418 0.604176 0.709904 Se\n0.018153 0.710092 0.117789 Se\n0.907696 0.099637 0.617789 Se\n0.981848 0.289908 0.882211 Se\n0.394272 0.304514 0.790096 Se\n0.793534 0.337990 0.422750 Se\n0.206466 0.662010 0.577250 Se\n0.584760 0.629216 0.922750 Se\n0.665245 0.973459 0.082931 Se\n0.390529 0.582313 0.417069 Se\n0.334755 0.026541 0.917069 Se\n0.415240 0.370784 0.077250 Se\n0.605728 0.695486 0.209904 Se\n0.092304 0.900363 0.382211 Se\n0.985582 0.395824 0.290096 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Se"
],
"chemical_system": "Se-Si-Tl",
"density": 7.124954675154874,
"density_atomic": 0.03324847623037098,
"volume": 1082.756387106716,
"volume_molar": 18.112531588738037,
"formula_full": "Tl16 Si4 Se16",
"formula_reduced": "Tl4SiSe4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.7544847185185184,
"spacegroup": 15
},
{
"id": "jvasp-11170",
"created_at": "2022-09-04T14:36:41.105620Z",
"updated_at": "2022-09-04T14:36:41.105650Z",
"structure_string": "Tl4 Si2 Se6\n1.0\n6.916449 0.011532 -0.013362\n-2.738696 -6.363452 0.096351\n-3.252108 1.379904 -8.061229\nTl Si Se\n4 2 6\ndirect\n0.742799 0.319480 0.104359 Tl\n0.257201 0.680521 0.895641 Tl\n0.887805 0.059618 0.668861 Tl\n0.112195 0.940382 0.331139 Tl\n0.431732 0.547345 0.318597 Si\n0.568267 0.452655 0.681403 Si\n0.764066 0.712663 0.909021 Se\n0.235934 0.287338 0.090979 Se\n0.521335 0.885832 0.271052 Se\n0.478665 0.114169 0.728948 Se\n0.234484 0.473455 0.494865 Se\n0.765516 0.526546 0.505135 Se\n",
"nsites": 12,
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"elements": [
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],
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"density": 6.321669314194352,
"density_atomic": 0.03390366805566239,
"volume": 353.944003353815,
"volume_molar": 17.762505077954884,
"formula_full": "Tl4 Si2 Se6",
"formula_reduced": "Tl2SiSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0351789833333331,
"spacegroup": 2
},
{
"id": "jvasp-98092",
"created_at": "2022-09-04T14:35:53.694121Z",
"updated_at": "2022-09-04T14:35:53.694149Z",
"structure_string": "Tl12 Si4 Te12\n1.0\n9.490796 0.022732 1.092695\n1.833202 9.612872 0.154233\n-0.002627 0.011014 10.592237\nTl Si Te\n12 4 12\ndirect\n0.098169 0.962092 0.646418 Tl\n0.486607 0.618674 0.645443 Tl\n0.196220 0.150570 0.158030 Tl\n0.641738 0.220535 0.916234 Tl\n0.803780 0.849430 0.841970 Tl\n0.683360 0.712386 0.239001 Tl\n0.098132 0.568549 0.344504 Tl\n0.358262 0.779465 0.083766 Tl\n0.316640 0.287613 0.760999 Tl\n0.901868 0.431450 0.655496 Tl\n0.513394 0.381325 0.354558 Tl\n0.901831 0.037907 0.353583 Tl\n0.574861 0.982049 0.582260 Si\n0.425139 0.017950 0.417740 Si\n0.087786 0.570804 0.985199 Si\n0.912214 0.429195 0.014802 Si\n0.311877 0.442685 0.077306 Te\n0.318756 0.798070 0.406388 Te\n0.127351 0.619549 0.748180 Te\n0.221633 0.225939 0.472997 Te\n0.002850 0.201733 0.894829 Te\n0.778367 0.774060 0.527004 Te\n0.681244 0.201929 0.593613 Te\n0.580309 0.067418 0.216730 Te\n0.688123 0.557315 0.922694 Te\n0.872649 0.380450 0.251820 Te\n0.419691 0.932582 0.783270 Te\n0.997150 0.798266 0.105171 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "Si-Te-Tl",
"density": 7.041479412923173,
"density_atomic": 0.028986640636196548,
"volume": 965.9622289943976,
"volume_molar": 20.77557325659863,
"formula_full": "Tl12 Si4 Te12",
"formula_reduced": "Tl3SiTe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 2
},
{
"id": "jvasp-56040",
"created_at": "2022-09-04T14:37:16.449463Z",
"updated_at": "2022-09-04T14:37:16.449491Z",
"structure_string": "Tl2 Sn4 Br10\n1.0\n7.461871 0.000000 -3.753848\n-1.888451 7.218954 -3.753848\n-0.021749 -0.028170 9.250020\nTl Sn Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Tl\n0.750000 0.750000 0.499999 Tl\n0.671390 0.828609 -0.000001 Sn\n0.828609 0.328610 -0.000000 Sn\n0.171389 0.671390 -0.000000 Sn\n0.328610 0.171389 -0.000000 Sn\n0.018321 0.203035 0.721356 Br\n0.203035 0.703035 0.721355 Br\n0.500000 0.500000 -0.000000 Br\n0.518321 0.018322 0.721356 Br\n0.981678 0.796964 0.278643 Br\n0.703035 0.518321 0.721355 Br\n0.796965 0.296965 0.278644 Br\n0.481678 0.981678 0.278644 Br\n0.000000 0.000000 0.000000 Br\n0.296965 0.481678 0.278644 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Br"
],
"chemical_system": "Br-Sn-Tl",
"density": 5.625420823873233,
"density_atomic": 0.03221313475788151,
"volume": 496.6918035223293,
"volume_molar": 18.694674719685814,
"formula_full": "Tl2 Sn4 Br10",
"formula_reduced": "TlSn2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}