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{
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"results": [
{
"id": "jvasp-113256",
"created_at": "2022-09-04T14:38:49.049209Z",
"updated_at": "2022-09-04T14:38:49.049223Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.988858 -0.000203 0.000054\n0.000490 11.390505 -0.003978\n-0.000064 0.002208 5.973821\nLi Mn P O\n4 4 4 16\ndirect\n0.992073 0.065314 0.220390 Li\n0.492177 0.434674 0.720459 Li\n0.992178 0.565321 0.279598 Li\n0.492071 0.934681 0.779549 Li\n0.987109 0.328996 0.965980 Mn\n0.487112 0.671002 0.034062 Mn\n0.487013 0.170999 0.465902 Mn\n0.987011 0.829000 0.534054 Mn\n0.497727 0.914969 0.263172 P\n0.997822 0.585026 0.763219 P\n0.497819 0.414976 0.236833 P\n0.997727 0.085033 0.736771 P\n0.390996 0.354540 0.019505 O\n0.890908 0.145460 0.519430 O\n0.411762 0.844282 0.051922 O\n0.911832 0.655711 0.551967 O\n0.411831 0.344292 0.448087 O\n0.911761 0.155721 0.948020 O\n0.807810 0.918531 0.277714 O\n0.883374 0.458748 0.741341 O\n0.807904 0.418534 0.222299 O\n0.307809 0.081467 0.722235 O\n0.883273 0.958755 0.758675 O\n0.383377 0.541256 0.258711 O\n0.891006 0.645459 0.980554 O\n0.383280 0.041248 0.241270 O\n0.307906 0.581463 0.777748 O\n0.390901 0.854540 0.480509 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"P",
"O"
],
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"volume": 339.466078716211,
"volume_molar": 7.301116104550937,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
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{
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"updated_at": "2022-09-04T14:35:47.529516Z",
"structure_string": "Li2 Fe2 Sb2 O8\n1.0\n5.980643 0.000000 0.000000\n2.990322 5.434105 -0.009380\n2.990322 1.802525 5.126451\nLi Fe Sb O\n2 2 2 8\ndirect\n0.141642 0.108358 0.108358 Li\n0.858357 0.891642 0.891642 Li\n-0.000000 0.500000 0.500000 Fe\n0.499999 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Sb\n0.499999 0.500000 0.000000 Sb\n0.262503 0.256116 0.256116 O\n0.273843 0.245360 0.706953 O\n0.273843 0.706953 0.245361 O\n0.725265 0.256116 0.256116 O\n0.274734 0.743884 0.743884 O\n0.726156 0.754640 0.293047 O\n0.726156 0.293047 0.754639 O\n0.737496 0.743884 0.743884 O\n",
"nsites": 14,
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"elements": [
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"Fe",
"Sb",
"O"
],
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"density": 4.9513708486389465,
"density_atomic": 0.08397921552209818,
"volume": 166.7079159166003,
"volume_molar": 7.170989538971511,
"formula_full": "Li2 Fe2 Sb2 O8",
"formula_reduced": "LiFeSbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2818536571428574,
"spacegroup": 74
},
{
"id": "jvasp-111900",
"created_at": "2022-09-04T14:38:27.965203Z",
"updated_at": "2022-09-04T14:38:27.965224Z",
"structure_string": "Na4 Mn4 As4 O16\n1.0\n5.215069 0.000000 0.000000\n-0.000000 6.405606 0.000000\n0.000000 0.000000 10.845082\nNa Mn As O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.491560 0.250000 0.219143 Mn\n0.991560 0.750001 0.280857 Mn\n0.508441 0.750001 0.780857 Mn\n0.008440 0.250000 0.719143 Mn\n0.555965 0.250000 0.896130 As\n0.055965 0.750001 0.603869 As\n0.444035 0.750001 0.103869 As\n0.944035 0.250000 0.396130 As\n0.328923 0.750001 0.954110 O\n0.828923 0.250000 0.545889 O\n0.271690 0.250000 0.389447 O\n0.771690 0.750001 0.110553 O\n0.728310 0.750001 0.610553 O\n0.228310 0.250000 0.889447 O\n0.794774 0.458845 0.322579 O\n0.794774 0.041155 0.322579 O\n0.205226 0.958845 0.677421 O\n0.705226 0.041155 0.822579 O\n0.205226 0.541156 0.677421 O\n0.705226 0.458845 0.822579 O\n0.171077 0.750001 0.454110 O\n0.294774 0.958845 0.177421 O\n0.294774 0.541156 0.177421 O\n0.671077 0.250000 0.045890 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-Na-O",
"density": 3.9756616300014778,
"density_atomic": 0.0772867259733231,
"volume": 362.28730933258447,
"volume_molar": 7.7919470441517324,
"formula_full": "Na4 Mn4 As4 O16",
"formula_reduced": "NaMnAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.296223141625616,
"spacegroup": 62
},
{
"id": "jvasp-34795",
"created_at": "2022-09-04T14:37:11.455154Z",
"updated_at": "2022-09-04T14:37:11.455179Z",
"structure_string": "H16 N4 Cl4 O4\n1.0\n0.000000 6.851245 -0.012600\n6.007878 0.000000 0.000000\n0.000000 -3.975426 -6.501903\nH N Cl O\n16 4 4 4\ndirect\n0.260542 0.482766 0.319092 H\n0.076098 0.173765 0.131821 H\n0.923901 0.673765 0.368179 H\n0.076097 0.326235 0.631821 H\n0.214553 0.472337 0.861006 H\n0.785445 0.972337 0.638994 H\n0.785446 0.527663 0.138994 H\n0.214553 0.027663 0.361006 H\n0.923901 0.826235 0.868179 H\n0.628073 0.849742 0.728582 H\n0.628073 0.650259 0.228582 H\n0.371926 0.150259 0.271418 H\n0.260541 0.017234 0.819091 H\n0.739457 0.517234 0.680908 H\n0.739457 0.982766 0.180908 H\n0.371925 0.349742 0.771418 H\n0.223351 0.163544 0.278566 N\n0.776648 0.663545 0.221433 N\n0.776647 0.836456 0.721433 N\n0.223351 0.336456 0.778566 N\n0.739256 0.311052 0.891480 Cl\n0.260743 0.811052 0.608520 Cl\n0.260743 0.688948 0.108520 Cl\n0.739256 0.188948 0.391480 Cl\n0.762244 0.855558 0.106319 O\n0.237754 0.355558 0.393681 O\n0.762244 0.644442 0.606319 O\n0.237754 0.144442 0.893680 O\n",
"nsites": 28,
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"elements": [
"H",
"N",
"Cl",
"O"
],
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"density": 1.7227315733091328,
"density_atomic": 0.10450543310047324,
"volume": 267.9286537483687,
"volume_molar": 5.76251452324992,
"formula_full": "H16 N4 Cl4 O4",
"formula_reduced": "H4NClO",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-91482",
"created_at": "2022-09-04T14:35:57.242227Z",
"updated_at": "2022-09-04T14:35:57.242252Z",
"structure_string": "Al4 B4 Pb4 O16\n1.0\n5.798416 -0.000000 0.000000\n0.000000 6.857548 0.000000\n0.000000 0.000000 8.231830\nAl B Pb O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.750001 0.728015 0.242709 B\n0.750001 0.228015 0.257291 B\n0.250000 0.771986 0.742709 B\n0.250000 0.271985 0.757291 B\n0.750001 0.451567 0.859880 Pb\n0.750001 0.951567 0.640120 Pb\n0.250000 0.548434 0.140120 Pb\n0.250000 0.048433 0.359880 Pb\n0.750001 0.829555 0.097019 O\n0.543926 0.674604 0.316023 O\n0.750001 0.603764 0.607207 O\n0.250000 0.670446 0.597019 O\n0.043925 0.825397 0.816023 O\n0.543926 0.174603 0.183977 O\n0.250000 0.170446 0.902981 O\n0.956075 0.674604 0.316023 O\n0.250000 0.896236 0.107207 O\n0.043925 0.325397 0.683977 O\n0.750001 0.103764 0.892793 O\n0.456075 0.325397 0.683977 O\n0.250000 0.396236 0.392793 O\n0.956075 0.174603 0.183977 O\n0.750001 0.329554 0.402981 O\n0.456075 0.825397 0.816023 O\n",
"nsites": 28,
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"elements": [
"Al",
"B",
"Pb",
"O"
],
"chemical_system": "Al-B-O-Pb",
"density": 6.27016672195229,
"density_atomic": 0.08554279026728596,
"volume": 327.3215651782171,
"volume_molar": 7.03991621173835,
"formula_full": "Al4 B4 Pb4 O16",
"formula_reduced": "AlBPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.255365743333334,
"spacegroup": 62
},
{
"id": "jvasp-10210",
"created_at": "2022-09-04T14:37:29.888563Z",
"updated_at": "2022-09-04T14:37:29.888573Z",
"structure_string": "Na2 Hg2 P2 O8\n1.0\n5.572566 -0.011736 0.000000\n-2.446815 5.006669 -0.000000\n0.000000 0.000000 6.516307\nNa Hg P O\n2 2 2 8\ndirect\n0.500001 0.500000 0.000000 Na\n0.500001 0.500000 0.500000 Na\n0.806570 0.193430 0.250000 Hg\n0.193431 0.806570 0.750000 Hg\n0.139685 0.860316 0.250000 P\n0.860316 0.139684 0.750000 P\n0.737179 0.831995 0.750000 O\n0.262823 0.168005 0.250000 O\n0.831996 0.737177 0.250000 O\n0.168005 0.262822 0.750000 O\n0.752592 0.247408 0.934627 O\n0.247409 0.752592 0.434626 O\n0.752592 0.247408 0.565374 O\n0.247409 0.752592 0.065374 O\n",
"nsites": 14,
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"elements": [
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"P",
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],
"chemical_system": "Hg-Na-O-P",
"density": 5.825052323399903,
"density_atomic": 0.07708495470705941,
"volume": 181.61780146596993,
"volume_molar": 7.8123426067843225,
"formula_full": "Na2 Hg2 P2 O8",
"formula_reduced": "NaHgPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-117266",
"created_at": "2022-09-04T14:38:49.753019Z",
"updated_at": "2022-09-04T14:38:49.753034Z",
"structure_string": "Na4 Ni4 As4 O16\n1.0\n4.978145 0.000028 -0.000006\n-0.000096 8.841509 -2.874159\n0.000084 0.000051 8.622656\nNa Ni As O\n4 4 4 16\ndirect\n0.500001 0.139886 0.213265 Na\n0.000000 0.139886 0.713264 Na\n0.499998 0.860114 0.786736 Na\n-0.000002 0.860114 0.286735 Na\n0.499999 0.506797 0.335600 Ni\n0.000001 0.493203 0.164400 Ni\n-0.000001 0.506796 0.835600 Ni\n0.500000 0.493204 0.664401 Ni\n-0.000004 0.698929 0.566310 As\n0.499996 0.698928 0.066312 As\n0.000004 0.301072 0.433688 As\n0.500003 0.301071 0.933690 As\n0.825235 0.637646 0.711252 O\n0.325235 0.637645 0.211250 O\n0.174764 0.362355 0.288749 O\n0.674764 0.362354 0.788747 O\n0.160663 0.362366 0.624182 O\n0.660665 0.362366 0.124179 O\n0.335431 0.637640 0.550579 O\n0.000003 0.110572 0.370211 O\n0.664567 0.362360 0.449422 O\n0.164567 0.362360 0.949421 O\n0.999996 0.889429 0.629791 O\n0.499996 0.889428 0.129789 O\n0.339336 0.637633 0.875819 O\n0.500004 0.110571 0.870209 O\n0.835433 0.637641 0.050578 O\n0.839336 0.637635 0.375820 O\n",
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"density_atomic": 0.07377720535777493,
"volume": 379.52101688071394,
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"formula_full": "Na4 Ni4 As4 O16",
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"spacegroup": 148
},
{
"id": "jvasp-32197",
"created_at": "2022-09-04T14:35:42.966709Z",
"updated_at": "2022-09-04T14:35:42.966739Z",
"structure_string": "Hg4 H4 Cl4 O16\n1.0\n4.726908 -0.000000 0.000000\n-0.000000 7.232356 0.000000\n0.000000 0.000000 11.391839\nHg H Cl O\n4 4 4 16\ndirect\n0.435811 0.000000 0.750000 Hg\n0.564189 0.000000 0.250000 Hg\n0.435811 0.500000 0.750000 Hg\n0.564189 0.500000 0.250000 Hg\n0.455497 0.750000 0.412721 H\n0.455497 0.250000 0.087279 H\n0.544504 0.250000 0.587279 H\n0.544504 0.750000 0.912721 H\n0.002370 0.750000 0.557079 Cl\n0.002370 0.250000 0.942921 Cl\n0.997631 0.250000 0.442921 Cl\n0.997631 0.750000 0.057079 Cl\n0.419978 0.250000 0.658989 O\n0.068930 0.582300 0.128598 O\n0.068930 0.417700 0.371402 O\n0.931070 0.082300 0.871402 O\n0.931070 0.917700 0.628598 O\n0.674055 0.750000 0.049029 O\n0.674055 0.250000 0.450971 O\n0.325945 0.750000 0.549029 O\n0.068930 0.082300 0.371402 O\n0.068930 0.917700 0.128598 O\n0.931070 0.582300 0.628598 O\n0.931070 0.417700 0.871402 O\n0.580022 0.750000 0.341011 O\n0.580022 0.250000 0.158989 O\n0.419978 0.750000 0.841012 O\n0.325945 0.250000 0.950971 O\n",
"nsites": 28,
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],
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"density": 5.134460659046946,
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"formula_full": "Hg4 H4 Cl4 O16",
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},
{
"id": "jvasp-47676",
"created_at": "2022-09-04T14:37:19.104711Z",
"updated_at": "2022-09-04T14:37:19.104736Z",
"structure_string": "Li2 Ni2 P2 O8\n1.0\n4.401245 0.030313 0.024279\n-1.000257 -5.053227 0.003025\n-1.735254 0.297251 -7.093364\nLi Ni P O\n2 2 2 8\ndirect\n0.737546 0.704171 0.984005 Li\n0.262453 0.295830 0.015994 Li\n0.974881 0.755503 0.597902 Ni\n0.025117 0.244498 0.402096 Ni\n0.355262 0.816392 0.263091 P\n0.644737 0.183609 0.736907 P\n0.165108 0.623303 0.382443 O\n0.299153 0.086846 0.611895 O\n0.643864 0.329667 0.918218 O\n0.198425 0.060494 0.211452 O\n0.801574 0.939507 0.788547 O\n0.356135 0.670334 0.081780 O\n0.700845 0.913155 0.388103 O\n0.834891 0.376698 0.617556 O\n",
"nsites": 14,
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"elements": [
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"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.390429043436528,
"density_atomic": 0.08899026088737699,
"volume": 157.3205861000668,
"volume_molar": 6.767190813859297,
"formula_full": "Li2 Ni2 P2 O8",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-95318",
"created_at": "2022-09-04T14:36:32.756625Z",
"updated_at": "2022-09-04T14:36:32.756644Z",
"structure_string": "K4 As4 O4 F16\n1.0\n5.043691 0.000000 -0.152915\n0.000000 5.744298 0.000000\n0.100669 0.000000 13.611186\nK As O F\n4 4 4 16\ndirect\n-0.008861 0.868515 0.652381 K\n0.508861 0.368514 0.847619 K\n0.008861 0.131486 0.347619 K\n0.491139 0.631486 0.152381 K\n0.570899 0.377666 0.581548 As\n0.429101 0.622334 0.418452 As\n0.070899 0.122334 0.081548 As\n0.929101 0.877666 0.918452 As\n0.709081 0.608924 0.505294 O\n0.790920 0.108924 0.994706 O\n0.290919 0.391076 0.494706 O\n0.209081 0.891076 0.005294 O\n0.573362 0.412812 0.334727 F\n0.737949 0.147936 0.517685 F\n0.762051 0.647936 0.982315 F\n0.262051 0.852064 0.482315 F\n0.425530 0.155815 0.655684 F\n0.926638 0.912812 0.165273 F\n0.074470 0.655815 0.844316 F\n0.925530 0.344185 0.155684 F\n0.852658 0.383082 0.665045 F\n0.647342 0.883082 0.834955 F\n0.237949 0.352064 0.017685 F\n0.352658 0.116918 0.165045 F\n0.426638 0.587188 0.665273 F\n0.073362 0.087188 0.834727 F\n0.574470 0.844185 0.344316 F\n0.147342 0.616918 0.334955 F\n",
"nsites": 28,
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],
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"density": 3.469163402660807,
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"volume": 394.4380246443028,
"volume_molar": 8.483433233944073,
"formula_full": "K4 As4 O4 F16",
"formula_reduced": "KAsOF4",
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},
{
"id": "jvasp-42994",
"created_at": "2022-09-04T14:38:09.749510Z",
"updated_at": "2022-09-04T14:38:09.749540Z",
"structure_string": "Li2 V2 Cr2 O8\n1.0\n5.773213 0.000000 0.000000\n2.886607 5.076439 -0.027905\n2.886607 1.665837 4.795414\nLi V Cr O\n2 2 2 8\ndirect\n0.125101 0.124899 0.124898 Li\n0.874899 0.875103 0.875100 Li\n0.000001 0.500001 0.499999 V\n0.500000 0.500001 0.499999 V\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.257322 0.264534 0.264533 O\n0.259304 0.264291 0.717103 O\n0.259304 0.717104 0.264289 O\n0.713612 0.264534 0.264533 O\n0.286389 0.735467 0.735465 O\n0.740697 0.735711 0.282895 O\n0.740697 0.282897 0.735709 O\n0.742679 0.735467 0.735465 O\n",
"nsites": 14,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.100981979301887,
"density_atomic": 0.09942524347483904,
"volume": 140.80931070128983,
"volume_molar": 6.056953495441012,
"formula_full": "Li2 V2 Cr2 O8",
"formula_reduced": "LiVCrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.837129371428573,
"spacegroup": 74
},
{
"id": "jvasp-86614",
"created_at": "2022-09-04T14:35:52.771932Z",
"updated_at": "2022-09-04T14:35:52.771958Z",
"structure_string": "Fe2 W2 Cl2 O8\n1.0\n5.349507 -0.000000 0.000000\n-0.000000 6.730412 -0.000000\n-0.000000 0.000000 6.730412\nFe W Cl O\n2 2 2 8\ndirect\n0.281971 0.250000 0.250000 Fe\n0.718030 0.750000 0.750000 Fe\n0.000000 0.250000 0.750000 W\n0.000000 0.750000 0.250000 W\n0.305078 0.750000 0.750000 Cl\n0.694922 0.250000 0.250000 Cl\n0.198506 0.250000 0.534618 O\n0.198506 0.965381 0.250000 O\n0.801494 0.034618 0.750000 O\n0.801494 0.465381 0.750000 O\n0.801494 0.750000 0.465381 O\n0.198506 0.534618 0.250000 O\n0.198506 0.250000 0.965381 O\n0.801494 0.750000 0.034618 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Fe",
"W",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-W",
"density": 4.647885425586632,
"density_atomic": 0.05777380550799037,
"volume": 242.32435230640536,
"volume_molar": 10.42365256546431,
"formula_full": "Fe2 W2 Cl2 O8",
"formula_reduced": "FeWClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.1901662239285717,
"spacegroup": 129
}
]
}