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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4347",
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"results": [
{
"id": "jvasp-33995",
"created_at": "2022-09-04T14:38:35.712818Z",
"updated_at": "2022-09-04T14:38:35.712838Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-0.343924 -5.877918 -0.046859\n0.008568 0.106942 13.683745\n-4.925664 3.237152 0.024298\nTe Mo S\n7 6 5\ndirect\n0.680435 0.875538 0.997315 Te\n-0.004919 0.387317 0.332671 Te\n0.985797 0.116248 0.335691 Te\n0.349790 0.875538 0.336024 Te\n0.329071 0.387317 0.000652 Te\n0.316765 0.116247 0.997629 Te\n0.661016 0.395933 0.666660 Te\n0.335516 0.251765 0.345212 Mo\n0.686809 0.736267 0.666669 Mo\n0.656962 0.251764 0.988108 Mo\n0.009383 0.737475 0.343767 Mo\n0.977905 0.252682 0.666663 Mo\n0.332288 0.737475 0.989574 Mo\n0.338184 0.631653 0.332560 S\n0.672295 0.631653 0.000781 S\n0.653316 0.143906 0.666662 S\n0.006558 0.623708 0.666672 S\n0.012827 0.847513 0.666671 S\n",
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{
"id": "jvasp-119160",
"created_at": "2022-09-04T14:38:35.907152Z",
"updated_at": "2022-09-04T14:38:35.907162Z",
"structure_string": "Nb5 V3 S20\n1.0\n8.537149 -0.043933 4.116578\n5.938166 6.133762 4.116578\n-0.052097 -0.021918 10.138527\nNb V S\n5 3 20\ndirect\n0.330459 0.834455 0.862046 Nb\n0.834456 0.330459 0.862046 Nb\n0.166051 0.166051 0.140498 Nb\n0.666308 0.666308 0.141474 Nb\n0.801642 0.801642 0.592115 Nb\n0.304027 0.304027 0.592242 V\n0.694092 0.204089 0.403648 V\n0.204090 0.694092 0.403648 V\n0.979679 0.478210 0.253212 S\n0.310837 0.809767 0.137832 S\n0.809767 0.310837 0.137832 S\n0.959717 0.442069 0.587760 S\n0.686855 0.686854 0.869173 S\n0.442070 0.959717 0.587760 S\n0.478211 0.979679 0.253212 S\n0.189408 0.189408 0.863277 S\n0.521759 0.521759 0.747600 S\n0.616561 0.133099 0.662080 S\n0.883885 0.883884 0.326421 S\n0.378645 0.378645 0.336452 S\n0.046146 0.046146 0.411007 S\n0.133100 0.616561 0.662080 S\n0.036402 0.536494 0.022545 S\n0.536494 0.036402 0.022545 S\n0.462360 0.462360 0.978175 S\n0.961634 0.961633 0.980790 S\n0.019001 0.019000 0.749946 S\n0.546350 0.546350 0.412595 S\n",
"nsites": 28,
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"elements": [
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"V",
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],
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"density": 3.905853210391302,
"density_atomic": 0.052326015202566856,
"volume": 535.1066747889195,
"volume_molar": 11.508884704265771,
"formula_full": "Nb5 V3 S20",
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"formula_anonymous": "A3B5C20",
"energy_above_hull": 3.561199985714286,
"spacegroup": 8
},
{
"id": "jvasp-119161",
"created_at": "2022-09-04T14:38:35.955969Z",
"updated_at": "2022-09-04T14:38:35.955997Z",
"structure_string": "Na6 Cd7 S10\n1.0\n12.796324 0.013427 4.089141\n12.112430 4.127361 4.089141\n0.013402 0.002228 10.426370\nNa Cd S\n6 7 10\ndirect\n0.707389 0.707390 0.378045 Na\n0.300507 0.300508 0.583186 Na\n0.119687 0.119688 0.249302 Na\n0.892649 0.892650 0.759240 Na\n0.989534 0.989535 0.184374 Na\n0.002843 0.002843 0.818470 Na\n0.350398 0.350398 0.047293 Cd\n0.751019 0.751021 0.900616 Cd\n0.159851 0.159852 0.711904 Cd\n0.608654 0.608655 0.030792 Cd\n0.445629 0.445630 0.476361 Cd\n0.563071 0.563072 0.520892 Cd\n0.846085 0.846087 0.298199 Cd\n0.909766 0.909767 0.050507 S\n0.535751 0.535752 0.290759 S\n0.471675 0.471676 0.693953 S\n0.886959 0.886960 0.486807 S\n0.122572 0.122573 0.510092 S\n0.683676 0.683677 0.126940 S\n0.314476 0.314477 0.848729 S\n0.287866 0.287866 0.303330 S\n0.720098 0.720100 0.682136 S\n0.081029 0.081030 0.931075 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"Cd",
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],
"chemical_system": "Cd-Na-S",
"density": 3.768883703770804,
"density_atomic": 0.041914060217188534,
"volume": 548.7418751802988,
"volume_molar": 14.367829622791781,
"formula_full": "Na6 Cd7 S10",
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"formula_anonymous": "A6B7C10",
"energy_above_hull": 0.0379696630434781,
"spacegroup": 8
},
{
"id": "jvasp-31720",
"created_at": "2022-09-04T14:38:36.066332Z",
"updated_at": "2022-09-04T14:38:36.066360Z",
"structure_string": "Nb1 W5 Se12\n1.0\n-1.845322 -2.805195 -0.000066\n6.370002 -6.199814 -0.000130\n-1.508232 3.002023 13.102956\nNb W Se\n1 5 12\ndirect\n0.692843 0.364487 0.750001 Nb\n0.972140 0.305515 0.250000 W\n0.363340 0.023522 0.749999 W\n0.305437 0.638869 0.249942 W\n0.027134 0.695939 0.750001 W\n0.638791 0.972279 0.250057 W\n0.818515 0.485181 0.122452 Se\n0.903492 0.570211 0.377365 Se\n0.515535 0.847077 0.877891 Se\n0.765251 0.092114 0.622450 Se\n0.485181 0.151926 0.122532 Se\n0.570205 0.236952 0.377535 Se\n0.850314 0.177158 0.877547 Se\n0.236884 0.903571 0.377503 Se\n0.151859 0.818659 0.122613 Se\n0.430245 0.761800 0.622111 Se\n0.092863 0.433835 0.619420 Se\n0.179951 0.520900 0.880581 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"W",
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],
"chemical_system": "Nb-Se-W",
"density": 8.47311556572411,
"density_atomic": 0.04686981726297651,
"volume": 384.0424616764741,
"volume_molar": 12.848654233514626,
"formula_full": "Nb1 W5 Se12",
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"formula_anonymous": "AB5C12",
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"spacegroup": 8
},
{
"id": "jvasp-117626",
"created_at": "2022-09-04T14:38:36.268600Z",
"updated_at": "2022-09-04T14:38:36.268626Z",
"structure_string": "Ba1 Se3\n1.0\n8.468024 0.238100 -1.257789\n-5.177769 -4.399643 0.879580\n2.570880 2.622245 -3.851745\nBa Se\n1 3\ndirect\n0.688427 0.076908 0.456243 Ba\n0.185925 0.073817 -0.029375 Se\n0.673351 0.561488 0.458440 Se\n0.120269 0.150823 0.666846 Se\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Se",
"density": 5.067941879584437,
"density_atomic": 0.03262350450195048,
"volume": 122.61098435212102,
"volume_molar": 18.459515162265756,
"formula_full": "Ba1 Se3",
"formula_reduced": "BaSe3",
"formula_anonymous": "AB3",
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"spacegroup": 8
},
{
"id": "jvasp-111025",
"created_at": "2022-09-04T14:38:36.318741Z",
"updated_at": "2022-09-04T14:38:36.318763Z",
"structure_string": "Mn1 Zn4 Se5\n1.0\n6.213289 0.001160 3.313219\n4.883193 3.841794 3.313219\n-0.007371 -0.002553 9.964842\nMn Zn Se\n1 4 5\ndirect\n0.000976 0.000977 0.998997 Mn\n0.600690 0.600689 0.596355 Zn\n0.199040 0.199039 0.201314 Zn\n0.801672 0.801671 0.799068 Zn\n0.398121 0.398120 0.403375 Zn\n0.798869 0.798868 0.551782 Se\n0.397247 0.397246 0.154989 Se\n0.001666 0.001667 0.745941 Se\n0.598775 0.598774 0.348908 Se\n0.202946 0.202947 0.949270 Se\n",
"nsites": 10,
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"elements": [
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"Zn",
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],
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"density": 4.965149641294886,
"density_atomic": 0.04203250070035153,
"volume": 237.91113622502996,
"volume_molar": 14.327343507186656,
"formula_full": "Mn1 Zn4 Se5",
"formula_reduced": "MnZn4Se5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.519897567471264,
"spacegroup": 8
},
{
"id": "jvasp-34039",
"created_at": "2022-09-04T14:38:36.387056Z",
"updated_at": "2022-09-04T14:38:36.387084Z",
"structure_string": "Te6 Mo6 S6\n1.0\n-1.514642 3.020020 0.000015\n7.017739 5.409450 0.012090\n1.815394 2.800368 -14.043286\nTe Mo S\n6 6 6\ndirect\n0.345442 0.691021 0.618117 Te\n0.980761 0.650319 0.388135 Te\n0.739637 0.407895 0.112806 Te\n0.022140 0.339593 0.616156 Te\n0.932305 0.251527 0.883893 Te\n0.256790 0.604109 0.882336 Te\n0.534627 0.180708 0.750066 Mo\n0.809488 0.134262 0.246739 Mo\n0.188127 0.873542 0.750227 Mo\n0.467196 0.812940 0.252642 Mo\n0.861819 0.526230 0.750157 Mo\n0.138607 0.472632 0.250131 Mo\n0.058657 0.734149 0.148510 S\n0.602842 0.933891 0.860448 S\n0.676959 0.006194 0.639909 S\n0.400484 0.059636 0.139372 S\n0.663210 0.321138 0.352418 S\n0.320911 0.000212 0.357943 S\n",
"nsites": 18,
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"elements": [
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"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.169081096897566,
"density_atomic": 0.04360369484737501,
"volume": 412.8090535218398,
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"formula_full": "Te6 Mo6 S6",
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"spacegroup": 8
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{
"id": "jvasp-33911",
"created_at": "2022-09-04T14:38:36.590395Z",
"updated_at": "2022-09-04T14:38:36.590415Z",
"structure_string": "Te5 Mo4 S3\n1.0\n1.898054 3.066508 13.991025\n-1.552654 2.830784 -13.901592\n-1.865924 -2.630575 13.902432\nTe Mo S\n5 4 3\ndirect\n0.678601 0.370425 0.308192 Te\n0.215461 0.652658 0.562802 Te\n0.325535 0.629997 0.695518 Te\n0.788414 0.349123 0.439286 Te\n0.711608 0.652323 0.059292 Te\n0.447401 0.318380 0.129012 Mo\n0.545722 0.671919 0.873803 Mo\n0.928697 0.300420 0.628273 Mo\n0.082545 0.708226 0.374320 Mo\n0.181345 0.361923 0.819438 S\n0.817732 0.636866 0.180855 S\n0.276940 0.347737 0.929200 S\n",
"nsites": 12,
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"elements": [
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"Mo",
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],
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"density": 6.5814082185044835,
"density_atomic": 0.04254285731130669,
"volume": 282.0685012337133,
"volume_molar": 14.155468486597123,
"formula_full": "Te5 Mo4 S3",
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"formula_anonymous": "A3B4C5",
"energy_above_hull": 3.437187702777777,
"spacegroup": 8
},
{
"id": "jvasp-119656",
"created_at": "2022-09-04T14:38:36.634687Z",
"updated_at": "2022-09-04T14:38:36.634707Z",
"structure_string": "K1 In5 S8\n1.0\n9.565362 -0.004696 2.149086\n8.772005 3.814197 2.149086\n-0.016688 -0.003467 9.307388\nK In S\n1 5 8\ndirect\n0.517699 0.517698 0.512601 K\n0.999853 0.999853 0.000811 In\n0.715144 0.715143 0.663012 In\n0.286934 0.286933 0.338402 In\n0.357457 0.357456 0.899257 In\n0.643162 0.643163 0.099964 In\n0.934199 0.934198 0.775596 S\n0.066179 0.066179 0.224174 S\n0.586308 0.586307 0.877807 S\n0.413663 0.413663 0.121542 S\n0.237902 0.237901 0.847683 S\n0.762218 0.762218 0.154062 S\n0.163543 0.163542 0.525431 S\n0.836731 0.836731 0.476145 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"In",
"S"
],
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"density": 4.246369754317811,
"density_atomic": 0.041164527168113696,
"volume": 340.09864713919245,
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"formula_full": "K1 In5 S8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 8
},
{
"id": "jvasp-33944",
"created_at": "2022-09-04T14:38:37.474715Z",
"updated_at": "2022-09-04T14:38:37.474736Z",
"structure_string": "Te9 Mo8 S7\n1.0\n1.868929 2.841536 0.000305\n-7.828683 9.219922 0.043413\n-1.534598 3.043426 14.407517\nTe Mo S\n9 8 7\ndirect\n0.271281 0.674618 0.108072 Te\n0.704891 0.350184 0.889981 Te\n0.033318 0.412245 0.108765 Te\n0.476769 0.075011 0.896573 Te\n0.702905 0.104275 0.385491 Te\n0.790618 0.144959 0.128723 Te\n0.478919 0.825847 0.390305 Te\n0.269657 0.922821 0.615205 Te\n0.046678 0.648655 0.609473 Te\n0.335891 0.033221 0.261636 Mo\n0.166783 0.456909 0.752763 Mo\n0.085914 0.787256 0.253508 Mo\n0.913686 0.203430 0.765925 Mo\n0.832931 0.547306 0.239384 Mo\n0.665950 0.957698 0.752848 Mo\n0.576678 0.300802 0.244919 Mo\n0.419738 0.710692 0.739266 Mo\n0.513627 0.155821 0.661275 S\n0.522322 0.899320 0.156571 S\n0.968131 0.359382 0.344832 S\n0.236236 0.590881 0.345602 S\n0.969708 0.608330 0.844044 S\n0.235254 0.840532 0.848559 S\n0.782138 0.389805 0.656285 S\n",
"nsites": 24,
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"elements": [
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"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.253780925266089,
"density_atomic": 0.04222940263514981,
"volume": 568.3244020132908,
"volume_molar": 14.260539776111933,
"formula_full": "Te9 Mo8 S7",
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"formula_anonymous": "A7B8C9",
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"spacegroup": 8
},
{
"id": "jvasp-118109",
"created_at": "2022-09-04T14:38:37.270766Z",
"updated_at": "2022-09-04T14:38:37.270794Z",
"structure_string": "Cl1 O2\n1.0\n4.148084 -0.001588 -0.031524\n-0.947804 -2.713749 0.073003\n-0.298096 -1.483928 -4.002180\nCl O\n1 2\ndirect\n-0.054643 0.911099 0.001704 Cl\n0.572554 0.684333 0.098008 O\n0.033557 0.131560 0.638584 O\n",
"nsites": 3,
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"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.462296859271177,
"density_atomic": 0.06595064157470051,
"volume": 45.4885643015615,
"volume_molar": 9.131284573143816,
"formula_full": "Cl1 O2",
"formula_reduced": "ClO2",
"formula_anonymous": "AB2",
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"spacegroup": 8
},
{
"id": "jvasp-110546",
"created_at": "2022-09-04T14:38:37.456095Z",
"updated_at": "2022-09-04T14:38:37.456120Z",
"structure_string": "Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n",
"nsites": 10,
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"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 5.976554826595167,
"density_atomic": 0.032521012033803885,
"volume": 307.4935057250225,
"volume_molar": 18.517691742619512,
"formula_full": "Sb4 Te3 Se3",
"formula_reduced": "Sb4(TeSe)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.5780447800000004,
"spacegroup": 8
}
]
}