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{
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"results": [
{
"id": "jvasp-116663",
"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
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"volume_molar": 7.675052846930402,
"formula_full": "Pr2 Mn3 Sb3 O14",
"formula_reduced": "Pr2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
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"spacegroup": 12
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{
"id": "jvasp-120534",
"created_at": "2022-09-04T14:38:53.051098Z",
"updated_at": "2022-09-04T14:38:53.051134Z",
"structure_string": "Er2 Mn3 Sb3 O14\n1.0\n6.238309 -0.021754 3.398148\n1.978289 5.916362 3.398148\n-0.023640 -0.016960 7.211651\nEr Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.414885 0.833007 0.327696 O\n0.822955 0.433422 0.907778 O\n0.405195 0.405195 0.354722 O\n0.830509 0.830509 0.939732 O\n0.166993 0.585115 0.672304 O\n0.566579 0.177045 0.092222 O\n0.169491 0.169492 0.060268 O\n0.177045 0.566579 0.092222 O\n0.594805 0.594805 0.645278 O\n0.433422 0.822955 0.907778 O\n0.116695 0.116695 0.628871 O\n0.883305 0.883305 0.371129 O\n0.585115 0.166993 0.672304 O\n0.833007 0.414886 0.327696 O\n",
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"elements": [
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],
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"density": 6.765198232933609,
"density_atomic": 0.08233496212709492,
"volume": 267.20119171294556,
"volume_molar": 7.314196307886835,
"formula_full": "Er2 Mn3 Sb3 O14",
"formula_reduced": "Er2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy_above_hull": 3.0234467738244506,
"spacegroup": 12
},
{
"id": "jvasp-25908",
"created_at": "2022-09-04T14:38:30.257124Z",
"updated_at": "2022-09-04T14:38:30.257155Z",
"structure_string": "Na6 Sb6 As4 O28\n1.0\n0.000000 6.528426 0.017275\n7.349502 0.000000 0.000000\n0.000000 -3.762415 -12.083091\nNa Sb As O\n6 6 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.538157 0.713288 0.433280 Na\n0.461844 0.286712 0.566719 Na\n0.538157 0.786712 0.933280 Na\n0.000000 0.500000 0.500000 Na\n0.461844 0.213288 0.066719 Na\n0.022871 0.240793 0.252497 Sb\n0.022871 0.259206 0.752497 Sb\n0.977130 0.759206 0.747503 Sb\n0.977130 0.740793 0.247503 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.582486 0.235649 0.338006 As\n0.582487 0.264351 0.838006 As\n0.417515 0.764351 0.661993 As\n0.417514 0.735649 0.161993 As\n0.074724 0.005753 0.803215 O\n0.038589 0.705526 0.907319 O\n0.925278 0.505753 0.696784 O\n0.961412 0.294473 0.092680 O\n0.294986 0.719813 0.763344 O\n0.105026 0.310345 0.916125 O\n0.705015 0.219813 0.736655 O\n0.608229 0.404138 0.429631 O\n0.894975 0.689655 0.083875 O\n0.074723 0.494247 0.303215 O\n0.961413 0.205526 0.592680 O\n0.682260 0.470468 0.904301 O\n0.391772 0.904138 0.070369 O\n0.038589 0.794473 0.407319 O\n0.671673 0.686809 0.248402 O\n0.328328 0.313190 0.751597 O\n0.894975 0.810344 0.583875 O\n0.391772 0.595862 0.570369 O\n0.682259 0.029532 0.404301 O\n0.317742 0.970468 0.595698 O\n0.105026 0.189655 0.416125 O\n0.671674 0.813190 0.748402 O\n0.608229 0.095862 0.929631 O\n0.705015 0.280186 0.236655 O\n0.317742 0.529532 0.095698 O\n0.925277 0.994246 0.196784 O\n0.294986 0.780186 0.263344 O\n0.328327 0.186810 0.251597 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 4.632860216683636,
"density_atomic": 0.07595672206334864,
"volume": 579.2772358357379,
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"formula_full": "Na6 Sb6 As4 O28",
"formula_reduced": "Na3Sb3(AsO7)2",
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},
{
"id": "jvasp-44389",
"created_at": "2022-09-04T14:38:11.105912Z",
"updated_at": "2022-09-04T14:38:11.105937Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n5.579642 -0.000484 0.001238\n-2.789367 4.859806 0.084478\n-0.002102 -0.153420 8.611279\nMn Fe Co O\n2 3 3 16\ndirect\n0.663880 0.327780 0.486887 Mn\n0.331811 0.663639 0.991007 Mn\n0.834254 0.668522 0.210402 Fe\n0.168510 0.832954 0.712284 Fe\n0.664424 0.832953 0.712287 Fe\n0.336293 0.169789 0.208614 Co\n0.833480 0.169790 0.208616 Co\n0.167042 0.334100 0.708842 Co\n0.166107 0.828067 0.101090 O\n0.334367 0.668752 0.600030 O\n0.480357 0.520035 0.838587 O\n0.039666 0.520040 0.838584 O\n0.833864 0.667751 0.598936 O\n0.166820 0.333665 0.100197 O\n0.959113 0.480262 0.340036 O\n-0.000523 -0.001039 0.317540 O\n0.832143 0.164515 0.600419 O\n-0.000549 -0.001083 0.820327 O\n0.482458 0.964937 0.842350 O\n0.670057 0.340139 0.099645 O\n0.520792 0.041593 0.337509 O\n0.332356 0.164517 0.600416 O\n0.521135 0.480266 0.340029 O\n0.661943 0.828071 0.101091 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.049212203018993,
"density_atomic": 0.10275534981142555,
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"formula_full": "Mn2 Fe3 Co3 O16",
"formula_reduced": "Mn2Fe3Co3O16",
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{
"id": "jvasp-111959",
"created_at": "2022-09-04T14:38:44.884480Z",
"updated_at": "2022-09-04T14:38:44.884506Z",
"structure_string": "Fe3 Co3 Sb2 O16\n1.0\n5.668147 -0.000688 0.094492\n2.850173 4.899428 0.094492\n-0.154641 -0.088931 9.177853\nFe Co Sb O\n3 3 2 16\ndirect\n0.167813 0.167813 0.214082 Fe\n0.336665 0.831338 0.714045 Fe\n0.831338 0.336665 0.714045 Fe\n0.169136 0.662818 0.213751 Co\n0.662819 0.169136 0.213751 Co\n0.831275 0.831275 0.714134 Co\n0.336210 0.336210 0.490168 Sb\n0.670476 0.670476 0.993926 Sb\n0.319238 0.843191 0.102571 O\n0.666235 0.666235 0.610269 O\n0.969188 0.514238 0.832570 O\n0.514238 0.969188 0.832570 O\n0.162125 0.162125 0.602908 O\n0.846306 0.846305 0.098244 O\n0.485702 0.029710 0.332999 O\n0.001882 0.001882 0.311306 O\n0.685356 0.160519 0.601824 O\n0.000671 0.000671 0.812118 O\n0.516087 0.516087 0.834962 O\n0.331390 0.331390 0.110809 O\n0.485371 0.485371 0.331549 O\n0.160519 0.685356 0.601824 O\n0.029709 0.485702 0.332999 O\n0.843191 0.319238 0.102571 O\n",
"nsites": 24,
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],
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"formula_full": "Fe3 Co3 Sb2 O16",
"formula_reduced": "Fe3Co3(SbO8)2",
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},
{
"id": "jvasp-44492",
"created_at": "2022-09-04T14:37:30.731247Z",
"updated_at": "2022-09-04T14:37:30.731267Z",
"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.624928 -0.012678 -0.022173\n-2.823442 4.890179 0.000029\n-0.035792 -0.020590 8.652552\nMn Cr Co O\n3 2 3 16\ndirect\n0.662292 0.831154 0.213826 Mn\n0.831796 0.663108 0.713163 Mn\n0.831790 0.168701 0.713168 Mn\n0.326374 0.663198 0.493126 Cr\n0.659943 0.329982 0.997927 Cr\n0.168801 0.832671 0.208759 Co\n0.168801 0.336148 0.208760 Co\n0.336198 0.168105 0.708354 Co\n0.828208 0.656818 0.098414 O\n0.668955 0.334487 0.597125 O\n0.519766 0.043265 0.839267 O\n0.519768 0.476514 0.839263 O\n0.660598 0.830309 0.597110 O\n0.341250 0.170637 0.100421 O\n0.478455 0.519205 0.340032 O\n0.003701 0.001854 0.316923 O\n0.170588 0.340161 0.598749 O\n0.000976 0.000493 0.820477 O\n0.964117 0.482066 0.840758 O\n0.332308 0.666167 0.098108 O\n0.048067 0.524038 0.334803 O\n0.170590 0.830444 0.598747 O\n0.478459 0.959266 0.340027 O\n0.828210 0.171411 0.098415 O\n",
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"formula_full": "Mn3 Cr2 Co3 O16",
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{
"id": "jvasp-95094",
"created_at": "2022-09-04T14:36:13.156171Z",
"updated_at": "2022-09-04T14:36:13.156191Z",
"structure_string": "Na2 Te3 Mo3 O16\n1.0\n6.628266 -0.075991 -3.050736\n-3.791317 6.629742 -0.687678\n-0.021667 -0.016236 7.668097\nNa Te Mo O\n2 3 3 16\ndirect\n0.500000 0.913162 0.086837 Na\n-0.000001 0.514316 0.485683 Na\n-0.000001 0.003850 0.996150 Te\n0.502453 0.394097 0.050892 Te\n0.497546 0.949107 0.605902 Te\n0.986704 0.489598 0.972282 Mo\n0.013295 0.027717 0.510401 Mo\n0.500000 0.422062 0.577937 Mo\n0.367106 0.569913 0.536450 O\n0.654969 0.934736 0.876098 O\n0.345031 0.123901 0.065263 O\n0.078274 0.289789 0.043371 O\n0.187284 0.706642 0.186193 O\n0.921725 0.956629 0.710210 O\n0.335660 0.294052 0.755996 O\n0.122462 0.555493 0.829810 O\n0.664339 0.244003 0.705948 O\n0.812715 0.813806 0.293357 O\n0.773501 0.379979 0.112536 O\n0.770864 0.597151 0.844575 O\n0.877538 0.170190 0.444506 O\n0.229135 0.155425 0.402849 O\n0.632894 0.463549 0.430086 O\n0.226498 0.887463 0.620021 O\n",
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],
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"formula_full": "Na2 Te3 Mo3 O16",
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{
"id": "jvasp-30374",
"created_at": "2022-09-04T14:37:19.713120Z",
"updated_at": "2022-09-04T14:37:19.713140Z",
"structure_string": "V3 Fe3 Te2 O16\n1.0\n5.585256 -0.025618 -0.064148\n-2.814059 4.874157 0.004245\n-0.120425 -0.074350 10.605504\nV Fe Te O\n3 3 2 16\ndirect\n0.637655 0.819074 0.235294 V\n0.803197 0.640422 0.721777 V\n0.804783 0.163709 0.722753 V\n0.176218 0.820763 0.213331 Fe\n0.176263 0.355935 0.213344 Fe\n0.362695 0.181061 0.705766 Fe\n0.312372 0.656075 0.509749 Te\n0.665697 0.333142 0.018330 Te\n0.843056 0.679790 0.109890 O\n0.683320 0.341045 0.604813 O\n0.509736 0.009365 0.816059 O\n0.509362 0.499797 0.815794 O\n0.666941 0.833189 0.603962 O\n0.330624 0.165620 0.118071 O\n0.497312 0.514498 0.326003 O\n0.007269 0.003785 0.296441 O\n0.164155 0.322543 0.610345 O\n0.009330 0.004468 0.792021 O\n0.970045 0.484860 0.817643 O\n0.347525 0.674078 0.111060 O\n0.017897 0.509095 0.306810 O\n0.164131 0.840905 0.610594 O\n0.497324 0.983147 0.325961 O\n0.843110 0.163837 0.109895 O\n",
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"elements": [
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],
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"volume": 287.9041775170532,
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"formula_full": "V3 Fe3 Te2 O16",
"formula_reduced": "V3Fe3(TeO8)2",
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},
{
"id": "jvasp-44635",
"created_at": "2022-09-04T14:38:32.907785Z",
"updated_at": "2022-09-04T14:38:32.907802Z",
"structure_string": "Al3 Cr3 Sb2 O16\n1.0\n5.734118 0.013401 0.008665\n2.843046 4.979784 0.009786\n0.081421 0.044729 9.273125\nAl Cr Sb O\n3 3 2 16\ndirect\n0.165018 0.164961 0.795278 Al\n0.337291 0.832857 0.295935 Al\n0.832758 0.337424 0.295939 Al\n0.166615 0.657498 0.783972 Cr\n0.657570 0.166502 0.783849 Cr\n0.832444 0.832626 0.273487 Cr\n0.330462 0.330630 0.504822 Sb\n0.658153 0.658046 0.012385 Sb\n0.326932 0.834336 0.895960 O\n0.677067 0.677223 0.389628 O\n0.966073 0.526377 0.160678 O\n0.526322 0.966109 0.160652 O\n0.163258 0.163390 0.395447 O\n0.830661 0.830549 0.891432 O\n0.477373 0.042191 0.666334 O\n-0.001671 -0.001750 0.697604 O\n0.671054 0.167682 0.396761 O\n0.001079 0.001175 0.197885 O\n0.522180 0.522264 0.171698 O\n0.333210 0.333016 0.894329 O\n0.481798 0.481724 0.661040 O\n0.167512 0.671228 0.396792 O\n0.042226 0.477322 0.666397 O\n0.834426 0.326812 0.895980 O\n",
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],
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"formula_full": "Al3 Cr3 Sb2 O16",
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},
{
"id": "jvasp-43223",
"created_at": "2022-09-04T14:36:22.263177Z",
"updated_at": "2022-09-04T14:36:22.263203Z",
"structure_string": "Cr3 Fe2 Sb3 O16\n1.0\n6.039143 0.002512 0.035755\n3.007203 5.237127 0.036471\n0.083581 0.047275 8.825163\nCr Fe Sb O\n3 2 3 16\ndirect\n0.669569 0.167405 0.213185 Cr\n0.167438 0.669537 0.213188 Cr\n0.827389 0.827384 0.699410 Cr\n0.340020 0.339998 0.482717 Fe\n0.679636 0.679607 0.002570 Fe\n0.168912 0.168880 0.211334 Sb\n0.826393 0.332726 0.707646 Sb\n0.332713 0.826400 0.707661 Sb\n0.829564 0.339340 0.104605 O\n0.665479 0.665511 0.583026 O\n0.525042 0.951389 0.831059 O\n0.951398 0.525031 0.831055 O\n0.166501 0.166501 0.592736 O\n0.837828 0.837797 0.116282 O\n0.057597 0.479699 0.350603 O\n0.998059 0.998038 0.321091 O\n0.165832 0.658021 0.596499 O\n0.990622 0.990633 0.816943 O\n0.514342 0.514327 0.841576 O\n0.339026 0.339006 0.099355 O\n0.469705 0.469652 0.341461 O\n0.658029 0.165819 0.596500 O\n0.479721 0.057565 0.350605 O\n0.339380 0.829524 0.104612 O\n",
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],
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"density": 5.290187002098184,
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"formula_full": "Cr3 Fe2 Sb3 O16",
"formula_reduced": "Cr3Fe2Sb3O16",
"formula_anonymous": "A2B3C3D16",
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},
{
"id": "jvasp-43117",
"created_at": "2022-09-04T14:35:56.628150Z",
"updated_at": "2022-09-04T14:35:56.628175Z",
"structure_string": "Mn3 Cr2 Sb3 O16\n1.0\n6.050181 0.027054 0.038028\n-3.001662 5.199077 -0.000013\n0.055950 0.032304 8.835247\nMn Cr Sb O\n3 2 3 16\ndirect\n0.660847 0.830431 0.214491 Mn\n0.826798 0.661613 0.708986 Mn\n0.826795 0.165198 0.708987 Mn\n0.342179 0.671098 0.497254 Cr\n0.684248 0.342133 0.981261 Cr\n0.163325 0.830491 0.209588 Sb\n0.163324 0.332850 0.209589 Sb\n0.328339 0.164176 0.708442 Sb\n0.831357 0.668223 0.104204 O\n0.676308 0.338162 0.597647 O\n0.537343 0.049742 0.840884 O\n0.537346 0.487616 0.840882 O\n0.669986 0.835002 0.601273 O\n0.336064 0.168046 0.093739 O\n0.477917 0.526405 0.339470 O\n0.012206 0.006106 0.329801 O\n0.160521 0.336068 0.601694 O\n0.982437 0.991225 0.815152 O\n0.950610 0.475314 0.831954 O\n0.317511 0.658768 0.084196 O\n0.044736 0.522372 0.350871 O\n0.160523 0.824469 0.601695 O\n0.477921 0.951533 0.339467 O\n0.831356 0.163152 0.104205 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Mn-O-Sb",
"density": 5.3047688628690475,
"density_atomic": 0.08613926475227533,
"volume": 278.61858432412555,
"volume_molar": 6.991168054799223,
"formula_full": "Mn3 Cr2 Sb3 O16",
"formula_reduced": "Mn3Cr2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.4233879510057474,
"spacegroup": 8
},
{
"id": "jvasp-44728",
"created_at": "2022-09-04T14:36:36.871974Z",
"updated_at": "2022-09-04T14:36:36.871998Z",
"structure_string": "V2 Cr3 Sb3 O16\n1.0\n6.054840 -0.022211 -0.064084\n-3.046660 5.276856 -0.000024\n-0.093195 -0.053815 8.880746\nV Cr Sb O\n2 3 3 16\ndirect\n0.302735 0.651377 0.479887 V\n0.646326 0.323172 0.003862 V\n0.171853 0.835207 0.205905 Cr\n0.171853 0.336661 0.205907 Cr\n0.340906 0.170462 0.707221 Cr\n0.666033 0.833026 0.211565 Sb\n0.837934 0.666933 0.712959 Sb\n0.837931 0.171014 0.712964 Sb\n0.826621 0.653297 0.098885 O\n0.664755 0.332383 0.591209 O\n0.524824 0.053490 0.839605 O\n0.524827 0.471354 0.839603 O\n0.662354 0.831186 0.599916 O\n0.347960 0.173991 0.103290 O\n0.469947 0.520706 0.344915 O\n0.011920 0.005966 0.311125 O\n0.166706 0.337495 0.600494 O\n0.014968 0.007491 0.823162 O\n0.963168 0.481594 0.849120 O\n0.328721 0.664364 0.096501 O\n0.054379 0.527199 0.333351 O\n0.166706 0.829233 0.600491 O\n0.469944 0.949255 0.344913 O\n0.826619 0.173340 0.098887 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"V",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb-V",
"density": 5.156628829521412,
"density_atomic": 0.08477526115077987,
"volume": 283.10145759756494,
"volume_molar": 7.103653445890448,
"formula_full": "V2 Cr3 Sb3 O16",
"formula_reduced": "V2Cr3Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.456848120833333,
"spacegroup": 8
}
]
}