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{
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"results": [
{
"id": "jvasp-44753",
"created_at": "2022-09-04T14:38:12.578706Z",
"updated_at": "2022-09-04T14:38:12.578725Z",
"structure_string": "Li5 Mn2 V3 O10\n1.0\n4.948334 0.017368 -0.057490\n-1.036444 4.916303 -0.030476\n-1.810784 -2.492769 7.201900\nLi Mn V O\n5 2 3 10\ndirect\n0.213079 0.928005 0.419593 Li\n0.389379 0.284391 0.766339 Li\n0.500000 0.500000 0.500000 Li\n0.610621 0.715608 0.233661 Li\n0.786922 0.071995 0.580406 Li\n0.108471 0.697505 0.687942 Mn\n0.891530 0.302495 0.312058 Mn\n0.259539 0.080349 0.087301 V\n0.000000 0.500000 -0.000000 V\n0.740461 0.919650 0.912698 V\n0.659568 0.285937 0.055872 O\n0.059744 0.122519 0.846738 O\n0.340432 0.714062 0.944128 O\n0.134728 0.300139 0.536541 O\n0.233343 0.465922 0.233355 O\n0.460350 0.908246 0.671262 O\n0.539651 0.091754 0.328738 O\n0.766658 0.534077 0.766644 O\n0.865273 0.699861 0.463459 O\n0.940256 0.877480 0.153261 O\n",
"nsites": 20,
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"elements": [
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"volume": 174.29863673527862,
"volume_molar": 5.248254623479773,
"formula_full": "Li5 Mn2 V3 O10",
"formula_reduced": "Li5Mn2V3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
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{
"id": "jvasp-42329",
"created_at": "2022-09-04T14:36:01.399277Z",
"updated_at": "2022-09-04T14:36:01.399302Z",
"structure_string": "Li5 V2 Ni3 O10\n1.0\n5.026856 0.075059 0.064183\n1.010888 5.102818 0.136337\n2.543646 2.340960 6.942693\nLi V Ni O\n5 2 3 10\ndirect\n0.210355 0.492861 0.610550 Li\n0.406493 0.493140 0.201176 Li\n0.500001 0.000000 0.500000 Li\n0.593509 0.506861 0.798824 Li\n0.789647 0.507140 0.389450 Li\n0.102809 0.975721 0.314393 V\n0.897193 0.024280 0.685607 V\n0.696482 0.008405 0.101792 Ni\n0.303520 0.991596 0.898208 Ni\n0.000000 0.500000 0.000000 Ni\n0.675829 0.756194 0.947299 O\n0.054696 0.783531 0.166521 O\n0.324173 0.243806 0.052701 O\n0.140932 0.228792 0.450846 O\n0.219645 0.747869 0.763299 O\n0.432425 0.773317 0.349867 O\n0.567577 0.226684 0.650132 O\n0.780357 0.252131 0.236700 O\n0.859070 0.771209 0.549154 O\n0.945306 0.216470 0.833478 O\n",
"nsites": 20,
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"elements": [
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"V",
"Ni",
"O"
],
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"density": 4.477278010657491,
"density_atomic": 0.1140890826943638,
"volume": 175.30161105404378,
"volume_molar": 5.278454886111119,
"formula_full": "Li5 V2 Ni3 O10",
"formula_reduced": "Li5V2Ni3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
},
{
"id": "jvasp-48346",
"created_at": "2022-09-04T14:36:32.637203Z",
"updated_at": "2022-09-04T14:36:32.637232Z",
"structure_string": "Li5 Mn3 Cr2 O10\n1.0\n5.113462 0.007399 -0.012536\n-0.851569 5.068503 0.001974\n-2.401022 -2.246766 6.946290\nLi Mn Cr O\n5 3 2 10\ndirect\n0.082654 0.794324 0.583580 Li\n0.717360 0.607613 0.220276 Li\n0.501668 0.499479 0.500384 Li\n0.920630 0.204808 0.417114 Li\n0.286039 0.391353 0.780426 Li\n0.501721 0.999471 0.000365 Mn\n0.106550 0.306782 0.106681 Mn\n0.896899 0.692166 0.894054 Mn\n0.699495 0.099657 0.692697 Cr\n0.303927 0.899299 0.308040 Cr\n0.317588 0.133388 0.549414 O\n0.914485 0.926765 0.145708 O\n0.685835 0.865579 0.451318 O\n0.291443 0.673642 0.044117 O\n0.532396 0.769749 0.766862 O\n0.115019 0.550172 0.336102 O\n0.888397 0.448780 0.664627 O\n0.471060 0.229199 0.233879 O\n0.712012 0.325302 0.956623 O\n0.088960 0.072186 0.855018 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
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"density": 4.277814415555647,
"density_atomic": 0.11115988800662197,
"volume": 179.92101610257623,
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"formula_full": "Li5 Mn3 Cr2 O10",
"formula_reduced": "Li5Mn3Cr2O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.049206076206896,
"spacegroup": 2
},
{
"id": "jvasp-48316",
"created_at": "2022-09-04T14:36:13.477613Z",
"updated_at": "2022-09-04T14:36:13.477628Z",
"structure_string": "Li5 Mn3 Fe2 O10\n1.0\n4.912966 0.002430 -0.035763\n-0.804006 4.805929 0.025770\n-2.366585 -2.094056 6.920393\nLi Mn Fe O\n5 3 2 10\ndirect\n0.089251 0.784177 0.585505 Li\n0.710419 0.610804 0.221491 Li\n0.499999 0.500000 0.500000 Li\n0.289580 0.389195 0.778509 Li\n0.910748 0.215822 0.414495 Li\n0.500001 0.000000 0.000000 Mn\n0.114023 0.301977 0.109036 Mn\n0.885976 0.698022 0.890964 Mn\n0.696139 0.099994 0.694241 Fe\n0.303860 0.900005 0.305759 Fe\n0.713126 0.336259 0.947859 O\n0.904890 0.950496 0.140014 O\n0.286873 0.663740 0.052141 O\n0.681013 0.868991 0.454445 O\n0.510004 0.762097 0.758189 O\n0.106176 0.550952 0.335296 O\n0.893823 0.449047 0.664704 O\n0.489995 0.237902 0.241811 O\n0.318986 0.131008 0.545555 O\n0.095109 0.049503 0.859986 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.794094872252155,
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"volume": 163.21145801695747,
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"formula_full": "Li5 Mn3 Fe2 O10",
"formula_reduced": "Li5Mn3(FeO5)2",
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"spacegroup": 2
},
{
"id": "jvasp-44621",
"created_at": "2022-09-04T14:36:10.081145Z",
"updated_at": "2022-09-04T14:36:10.081162Z",
"structure_string": "Li5 Mn3 Nb2 O10\n1.0\n5.311830 0.069730 0.035580\n1.032521 5.121436 0.000193\n2.608117 2.102202 7.251939\nLi Mn Nb O\n5 3 2 10\ndirect\n0.528490 0.780376 0.399617 Li\n0.506277 0.602252 0.786374 Li\n0.000000 0.500000 0.500000 Li\n0.493724 0.397748 0.213626 Li\n0.471511 0.219624 0.600382 Li\n0.500000 -0.000000 -0.000000 Mn\n0.989403 0.306937 0.899043 Mn\n0.010598 0.693063 0.100957 Mn\n0.993071 0.092952 0.323151 Nb\n0.006930 0.907048 0.676849 Nb\n0.248852 0.336166 0.058269 O\n0.233062 0.952985 0.846363 O\n0.751148 0.663835 0.941731 O\n0.747433 0.837740 0.548848 O\n0.257885 0.775445 0.243052 O\n0.230010 0.561284 0.654859 O\n0.769991 0.438717 0.345140 O\n0.742116 0.224555 0.756948 O\n0.252567 0.162260 0.451152 O\n0.766939 0.047015 0.153636 O\n",
"nsites": 20,
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"elements": [
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"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.611584549852078,
"density_atomic": 0.10185326444271539,
"volume": 196.36091301961616,
"volume_molar": 5.9125652898312255,
"formula_full": "Li5 Mn3 Nb2 O10",
"formula_reduced": "Li5Mn3Nb2O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
},
{
"id": "jvasp-22950",
"created_at": "2022-09-04T14:38:07.995021Z",
"updated_at": "2022-09-04T14:38:07.995033Z",
"structure_string": "Lu12 O8 F20\n1.0\n5.223608 -0.000000 0.000000\n0.000000 5.504654 0.000000\n0.000000 0.000000 16.805387\nLu O F\n12 8 20\ndirect\n0.538656 0.173535 0.902840 Lu\n0.038656 0.326464 0.097160 Lu\n0.961345 0.673535 0.597160 Lu\n0.461344 0.826464 0.402840 Lu\n0.461344 0.826464 0.097160 Lu\n0.961345 0.673535 0.902840 Lu\n0.038656 0.326464 0.402840 Lu\n0.538656 0.173535 0.597160 Lu\n0.956700 0.239298 0.750000 Lu\n0.456700 0.260702 0.250000 Lu\n0.543301 0.739298 0.750000 Lu\n0.043300 0.760701 0.250000 Lu\n0.299264 0.537002 0.168476 O\n0.799264 0.962997 0.831524 O\n0.799264 0.962997 0.668476 O\n0.200737 0.037003 0.331524 O\n0.700737 0.462997 0.831524 O\n0.200737 0.037003 0.168476 O\n0.700737 0.462997 0.668476 O\n0.299264 0.537002 0.331524 O\n0.217213 0.615889 0.486278 F\n0.717213 0.884110 0.513722 F\n0.717213 0.884110 0.986278 F\n0.217213 0.615889 0.013722 F\n0.782788 0.384110 0.513722 F\n0.282787 0.115889 0.486278 F\n0.641669 0.888703 0.250000 F\n0.358331 0.111296 0.750000 F\n0.858331 0.388703 0.250000 F\n0.673653 0.163917 0.374618 F\n0.326348 0.836082 0.874618 F\n0.141669 0.611296 0.750000 F\n0.826348 0.663917 0.125382 F\n0.173652 0.336082 0.874618 F\n0.673653 0.163917 0.125382 F\n0.326348 0.836082 0.625383 F\n0.826348 0.663917 0.374618 F\n0.782788 0.384110 0.986278 F\n0.173652 0.336082 0.625383 F\n0.282787 0.115889 0.013722 F\n",
"nsites": 40,
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"elements": [
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],
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"density": 8.960567074724851,
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"volume": 483.22469711463367,
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"formula_full": "Lu12 O8 F20",
"formula_reduced": "Lu3O2F5",
"formula_anonymous": "A2B3C5",
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"spacegroup": 62
},
{
"id": "jvasp-117327",
"created_at": "2022-09-04T14:38:26.291723Z",
"updated_at": "2022-09-04T14:38:26.291741Z",
"structure_string": "Sm4 Ge10 Pt6\n1.0\n8.173603 -0.017480 -2.231631\n-1.816083 5.592238 -6.100572\n0.006079 0.017480 8.472775\nSm Ge Pt\n4 10 6\ndirect\n0.596770 0.368608 0.228162 Sm\n0.403231 0.631392 0.771839 Sm\n0.140447 0.868608 0.271839 Sm\n0.859553 0.131392 0.728162 Sm\n0.740919 0.895720 0.845200 Ge\n0.259081 0.104281 0.154801 Ge\n0.050520 0.395719 0.654802 Ge\n0.949480 0.604281 0.345200 Ge\n0.227323 0.977323 0.750001 Ge\n0.772678 0.022678 0.250000 Ge\n0.227322 0.477322 0.250000 Ge\n0.500000 0.750000 0.250001 Ge\n0.500000 0.250000 0.750001 Ge\n0.772678 0.522678 0.750001 Ge\n0.751369 0.639565 0.111805 Pt\n0.000000 0.750000 0.750001 Pt\n0.000000 0.250000 0.250000 Pt\n0.527762 0.139565 0.388196 Pt\n0.472239 0.860436 0.611805 Pt\n0.248631 0.360435 0.888197 Pt\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Sm4 Ge10 Pt6",
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{
"id": "jvasp-109412",
"created_at": "2022-09-04T14:38:17.125600Z",
"updated_at": "2022-09-04T14:38:17.125619Z",
"structure_string": "Ce2 Ga5 Au3\n1.0\n4.306210 0.000000 0.000000\n0.000000 4.306210 0.000000\n-0.000000 -0.000000 11.284563\nCe Ga Au\n2 5 3\ndirect\n0.500000 0.000000 0.248779 Ce\n-0.000000 0.500000 0.751220 Ce\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.871668 Ga\n-0.000000 0.500000 0.128332 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.652257 Au\n-0.000000 0.500000 0.347743 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 10,
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],
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"volume": 209.254668420594,
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"formula_full": "Ce2 Ga5 Au3",
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"formula_anonymous": "A2B3C5",
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"spacegroup": 115
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{
"id": "jvasp-109147",
"created_at": "2022-09-04T14:38:26.868011Z",
"updated_at": "2022-09-04T14:38:26.868042Z",
"structure_string": "Sr2 Mg3 In5\n1.0\n4.681353 -0.000000 0.000000\n0.000000 4.681353 0.000000\n0.000000 0.000000 12.797767\nSr Mg In\n2 3 5\ndirect\n0.500000 0.000000 0.750193 Sr\n-0.000000 0.500000 0.249807 Sr\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.142004 In\n-0.000000 0.500000 0.635875 In\n-0.000000 0.500000 0.857996 In\n0.500000 0.000000 0.364125 In\n0.500000 0.500000 -0.000000 In\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Sr2 Mg3 In5",
"formula_reduced": "Sr2Mg3In5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-112292",
"created_at": "2022-09-04T14:38:26.202995Z",
"updated_at": "2022-09-04T14:38:26.203021Z",
"structure_string": "U4 Si10 Rh6\n1.0\n7.850315 -0.023369 -2.076749\n-1.618674 5.204412 -6.019541\n0.001688 0.023369 8.120365\nU Si Rh\n4 10 6\ndirect\n0.402500 0.633395 0.769105 U\n0.864291 0.133395 0.730896 U\n0.597501 0.366605 0.230896 U\n0.135710 0.866605 0.269104 U\n0.223246 0.473246 0.250000 Si\n0.776755 0.526754 0.750000 Si\n0.950839 0.605673 0.345165 Si\n0.260509 0.105673 0.154835 Si\n0.049162 0.394327 0.654836 Si\n0.776755 0.026754 0.250000 Si\n0.223247 0.973246 0.750000 Si\n0.500001 0.750000 0.250000 Si\n0.500001 0.250000 0.750000 Si\n0.739493 0.894327 0.845165 Si\n0.000001 0.750000 0.750001 Rh\n0.248832 0.359982 0.888851 Rh\n0.471133 0.859982 0.611150 Rh\n0.528869 0.140018 0.388850 Rh\n0.751169 0.640018 0.111150 Rh\n0.000000 0.250000 0.250000 Rh\n",
"nsites": 20,
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],
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"volume": 332.6620342120732,
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"formula_reduced": "U2Si5Rh3",
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{
"id": "jvasp-112301",
"created_at": "2022-09-04T14:38:26.948895Z",
"updated_at": "2022-09-04T14:38:26.948907Z",
"structure_string": "Sc4 Co6 Si10\n1.0\n7.258258 -0.012922 2.463133\n-1.401021 7.121770 2.463133\n-0.001890 -0.002294 5.357196\nSc Co Si\n4 6 10\ndirect\n0.872207 0.591109 0.765274 Sc\n0.408892 0.127794 0.734725 Sc\n0.127793 0.408892 0.234725 Sc\n0.591109 0.872207 0.265274 Sc\n0.002405 0.997595 0.750000 Co\n0.543903 0.262947 0.126991 Co\n0.997595 0.002406 0.249999 Co\n0.456098 0.737054 0.873007 Co\n0.262947 0.543903 0.626992 Co\n0.737054 0.456098 0.373007 Co\n0.773574 0.226427 0.749999 Si\n0.075279 0.265762 0.828755 Si\n0.734239 0.924721 0.671244 Si\n0.924721 0.734239 0.171244 Si\n0.265761 0.075279 0.328754 Si\n0.209349 0.790651 0.750000 Si\n0.790651 0.209349 0.249999 Si\n0.513768 0.486233 0.750000 Si\n0.486233 0.513768 0.249999 Si\n0.226426 0.773574 0.249999 Si\n",
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{
"id": "jvasp-23543",
"created_at": "2022-09-04T14:37:35.756138Z",
"updated_at": "2022-09-04T14:37:35.756157Z",
"structure_string": "U4 Co6 Si10\n1.0\n5.243029 0.000000 2.004544\n2.244769 7.212837 1.987676\n0.018307 -0.022911 7.811147\nU Co Si\n4 6 10\ndirect\n0.863506 0.869101 0.403887 U\n0.636494 0.596113 0.130899 U\n0.363506 0.403888 0.869101 U\n0.136494 0.130899 0.596113 U\n0.140275 0.473205 0.246246 Co\n0.250000 -0.000000 -0.000000 Co\n0.640275 0.246246 0.473205 Co\n0.359725 0.753754 0.526795 Co\n0.859726 0.526795 0.753754 Co\n0.750000 -0.000000 -0.000000 Co\n0.101818 0.743368 0.052997 Si\n0.750000 0.500000 0.500000 Si\n0.976830 0.773171 0.773170 Si\n0.476830 0.773171 0.773171 Si\n0.023171 0.226830 0.226830 Si\n0.601818 0.052997 0.743368 Si\n0.398183 0.947004 0.256632 Si\n0.898183 0.256632 0.947003 Si\n0.250000 0.500000 0.500000 Si\n0.523171 0.226830 0.226829 Si\n",
"nsites": 20,
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],
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"volume_molar": 8.890667504999731,
"formula_full": "U4 Co6 Si10",
"formula_reduced": "U2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 4.44008877,
"spacegroup": 72
}
]
}