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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4339",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4337",
"results": [
{
"id": "jvasp-36924",
"created_at": "2022-09-04T14:38:07.611852Z",
"updated_at": "2022-09-04T14:38:07.611875Z",
"structure_string": "Rb1 Tl1 Br3\n1.0\n5.769630 -0.005088 -0.008659\n-0.011231 5.766023 0.003272\n-0.009355 0.002510 5.766015\nRb Tl Br\n1 1 3\ndirect\n-0.015469 0.010341 0.009176 Rb\n0.514115 0.501351 0.499307 Tl\n0.522611 0.499477 -0.001438 Br\n0.016365 0.498145 0.495910 Br\n0.522378 0.000683 0.497044 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Br"
],
"chemical_system": "Br-Rb-Tl",
"density": 4.584253461983837,
"density_atomic": 0.026065845257273755,
"volume": 191.8219014441795,
"volume_molar": 23.103569826953926,
"formula_full": "Rb1 Tl1 Br3",
"formula_reduced": "RbTlBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 8
},
{
"id": "jvasp-12703",
"created_at": "2022-09-04T14:38:07.821015Z",
"updated_at": "2022-09-04T14:38:07.821044Z",
"structure_string": "Sc1 Mo3 O8\n1.0\n4.844716 0.002662 0.044884\n-0.025074 5.739951 0.007896\n-0.023010 -2.844139 4.985778\nSc Mo O\n1 3 8\ndirect\n0.264919 0.675526 0.324795 Sc\n0.747376 0.148002 0.852350 Mo\n0.743382 0.691243 0.837043 Mo\n0.743354 0.163312 0.309113 Mo\n0.530408 0.007853 0.507587 O\n0.951694 0.332341 0.668031 O\n-0.004612 0.832400 0.664600 O\n0.975868 0.835914 0.164449 O\n0.530414 0.492743 0.992487 O\n0.460501 -0.013221 0.013533 O\n0.522210 0.500214 0.500116 O\n0.995387 0.335749 0.167976 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sc",
"density": 5.5138457886595855,
"density_atomic": 0.08647718040027534,
"volume": 138.76493133166252,
"volume_molar": 6.963849575258383,
"formula_full": "Sc1 Mo3 O8",
"formula_reduced": "ScMo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.8492050791666665,
"spacegroup": 8
},
{
"id": "jvasp-46779",
"created_at": "2022-09-04T14:38:08.937650Z",
"updated_at": "2022-09-04T14:38:08.937682Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.194369 -0.014040 0.001589\n-0.151051 5.193202 0.009547\n-0.080167 -0.092207 6.360960\nLi Co Si O\n3 2 2 8\ndirect\n0.826514 0.173181 0.494747 Li\n0.316020 0.316001 0.736714 Li\n0.173097 0.826422 0.494739 Li\n0.813096 0.191821 0.004923 Co\n0.191728 0.813018 0.004984 Co\n0.685997 0.686085 0.740606 Si\n0.329316 0.329241 0.259473 Si\n0.820697 0.820849 0.959436 O\n0.715693 0.366698 0.757616 O\n0.813297 0.813484 0.540623 O\n0.638981 0.274724 0.245390 O\n0.366512 0.715495 0.757635 O\n0.204638 0.204478 0.467177 O\n0.274494 0.638783 0.245403 O\n0.196506 0.196343 0.033460 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.124550458730618,
"density_atomic": 0.08742213204687393,
"volume": 171.5812649359468,
"volume_molar": 6.8885768614874925,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.6922924666666668,
"spacegroup": 8
},
{
"id": "jvasp-44783",
"created_at": "2022-09-04T14:38:08.939646Z",
"updated_at": "2022-09-04T14:38:08.939671Z",
"structure_string": "Li4 Ti2 V3 Cr3 O16\n1.0\n5.819213 0.001316 -0.000446\n-2.909545 -5.040913 0.005644\n-0.048175 0.017256 -9.463685\nLi Ti V Cr O\n4 2 3 3 16\ndirect\n0.659706 0.329859 0.103751 Li\n0.001270 0.000640 0.005410 Li\n0.004019 0.002046 0.505126 Li\n0.328117 0.664065 0.607425 Li\n0.669425 0.334745 0.505439 Ti\n0.335250 0.667621 0.002489 Ti\n0.172868 0.821171 0.283211 V\n0.348967 0.174472 0.780811 V\n0.172855 0.351723 0.283207 V\n0.662777 0.831407 0.286702 Cr\n0.827331 0.658566 0.785616 Cr\n0.827330 0.168773 0.785615 Cr\n0.666356 0.833181 0.903832 O\n0.167465 0.833968 0.902214 O\n0.335011 0.667522 0.401262 O\n0.479576 0.519772 0.160758 O\n0.479575 0.959824 0.160755 O\n0.334581 0.167313 0.400849 O\n0.515497 0.034868 0.657926 O\n0.957286 0.478645 0.661979 O\n0.837214 0.169935 0.403409 O\n0.005174 0.002602 0.193865 O\n0.003656 0.001832 0.693348 O\n0.659245 0.329629 0.897567 O\n0.029257 0.514640 0.156025 O\n0.837219 0.667328 0.403419 O\n0.515495 0.480632 0.657929 O\n0.167463 0.333495 0.902217 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti-V",
"density": 4.117667422673557,
"density_atomic": 0.10087456469082524,
"volume": 277.57244936638284,
"volume_molar": 5.969929861365466,
"formula_full": "Li4 Ti2 V3 Cr3 O16",
"formula_reduced": "Li4Ti2V3Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.412855623809524,
"spacegroup": 8
},
{
"id": "jvasp-33973",
"created_at": "2022-09-04T14:38:09.447487Z",
"updated_at": "2022-09-04T14:38:09.447516Z",
"structure_string": "Te7 Mo6 S5\n1.0\n3.404340 -0.199384 0.000521\n1.191360 -8.821063 -0.154167\n1.519645 -3.260226 -13.996571\nTe Mo S\n7 6 5\ndirect\n0.613190 0.875673 0.897893 Te\n0.726138 0.450258 0.097518 Te\n0.031324 0.314902 0.622468 Te\n0.938915 0.231687 0.890434 Te\n0.356506 0.673489 0.613538 Te\n0.978839 0.660997 0.381308 Te\n0.300573 0.018570 0.380252 Te\n0.873024 0.504548 0.749409 Mo\n0.794447 0.172562 0.238543 Mo\n0.207006 0.829015 0.756978 Mo\n0.128370 0.506567 0.236691 Mo\n0.542686 0.154673 0.759937 Mo\n0.457684 0.836793 0.247857 Mo\n0.289375 0.566148 0.855079 S\n0.683250 0.979608 0.653929 S\n0.384377 0.093879 0.137392 S\n0.042190 0.774999 0.140671 S\n0.652118 0.355627 0.340103 S\n",
"nsites": 18,
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"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.513573831858807,
"density_atomic": 0.043338879280730526,
"volume": 415.3314598516445,
"volume_molar": 13.89546951823829,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.587814987037037,
"spacegroup": 8
},
{
"id": "jvasp-44740",
"created_at": "2022-09-04T14:38:10.525073Z",
"updated_at": "2022-09-04T14:38:10.525088Z",
"structure_string": "Li3 Fe1 O1 F4\n1.0\n3.699352 0.000376 0.000232\n-1.849117 -4.831234 0.016401\n-1.849461 0.238085 -4.941144\nLi Fe O F\n3 1 1 4\ndirect\n0.574101 0.770566 0.441612 Li\n0.396756 0.243295 0.614189 Li\n0.756941 0.429226 0.148634 Li\n0.963525 0.997026 0.994019 Fe\n0.480723 0.028191 0.997231 O\n0.034224 0.790923 0.341512 F\n0.276398 0.372403 0.244364 F\n0.672160 0.608410 0.799885 F\n0.850031 0.144740 0.619301 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.172132058221911,
"density_atomic": 0.1019365584734009,
"volume": 88.29020848637381,
"volume_molar": 5.907734035940996,
"formula_full": "Li3 Fe1 O1 F4",
"formula_reduced": "Li3FeOF4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.67477557,
"spacegroup": 8
},
{
"id": "jvasp-47093",
"created_at": "2022-09-04T14:38:10.535215Z",
"updated_at": "2022-09-04T14:38:10.535241Z",
"structure_string": "Li3 V3 O5 F3\n1.0\n-0.004083 4.142378 4.142378\n4.150464 -0.001952 4.140386\n4.150464 4.140386 -0.001952\nLi V O F\n3 3 5 3\ndirect\n0.266296 0.249528 0.249528 Li\n0.132758 0.620795 0.620795 Li\n0.622136 0.622577 0.622577 Li\n0.986250 0.007305 0.007305 V\n0.619451 0.622697 0.110411 V\n0.619451 0.110411 0.622697 V\n0.408301 0.381360 0.381360 O\n0.864589 0.887307 0.382038 O\n0.864589 0.382038 0.887307 O\n0.849818 0.882246 0.882246 O\n0.376545 0.877024 0.877024 O\n0.861604 0.378554 0.378554 F\n0.389118 0.854069 0.374087 F\n0.389118 0.374087 0.854069 F\n",
"nsites": 14,
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"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.619685189614866,
"density_atomic": 0.09824099840966835,
"volume": 142.50669503194092,
"volume_molar": 6.129966976605292,
"formula_full": "Li3 V3 O5 F3",
"formula_reduced": "Li3V3O5F3",
"formula_anonymous": "A3B3C3D5",
"energy_above_hull": 2.1701286391071437,
"spacegroup": 8
},
{
"id": "jvasp-43058",
"created_at": "2022-09-04T14:38:10.545469Z",
"updated_at": "2022-09-04T14:38:10.545493Z",
"structure_string": "Ni6 O2 F10\n1.0\n-4.554423 4.554423 3.076576\n0.078686 4.632024 -3.074918\n-4.632024 -0.078686 -3.074918\nNi O F\n6 2 10\ndirect\n0.844859 0.673645 0.673645 Ni\n0.317213 0.656970 0.656970 Ni\n0.653439 0.340058 0.340058 Ni\n0.177850 0.337784 0.337784 Ni\n0.498909 0.998850 0.998850 Ni\n-0.000177 0.989049 0.989049 Ni\n0.036523 0.767440 0.767440 O\n0.369889 0.434594 0.434594 O\n0.334044 0.969711 0.361321 F\n0.998535 0.302019 0.696275 F\n0.700491 0.102602 0.102602 F\n0.965268 0.231256 0.231256 F\n0.668784 0.033859 0.638058 F\n0.300885 0.893125 0.893125 F\n0.334044 0.361321 0.969711 F\n0.668784 0.638058 0.033859 F\n0.632110 0.573379 0.573379 F\n0.998535 0.696275 0.302019 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Ni-O",
"density": 4.816718559960394,
"density_atomic": 0.0909398909764355,
"volume": 197.93294017324246,
"volume_molar": 6.622111259799583,
"formula_full": "Ni6 O2 F10",
"formula_reduced": "Ni3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.4536602347222224,
"spacegroup": 8
},
{
"id": "jvasp-53482",
"created_at": "2022-09-04T14:38:11.095020Z",
"updated_at": "2022-09-04T14:38:11.095053Z",
"structure_string": "Na2 C1 O5\n1.0\n5.092234 0.182244 1.454593\n2.555887 4.408118 1.454593\n0.517754 0.310753 6.282577\nNa C O\n2 1 5\ndirect\n0.917235 0.917235 0.017485 Na\n0.005322 0.005322 0.523403 Na\n0.645840 0.645840 0.767330 C\n0.300508 0.562399 0.292923 O\n0.562398 0.300508 0.292923 O\n0.363177 0.809928 0.736566 O\n0.809928 0.363176 0.736567 O\n0.761590 0.761590 0.826805 O\n",
"nsites": 8,
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"elements": [
"Na",
"C",
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],
"chemical_system": "C-Na-O",
"density": 1.7128816463984353,
"density_atomic": 0.05980387456720558,
"volume": 133.7705969369906,
"volume_molar": 10.069817053797278,
"formula_full": "Na2 C1 O5",
"formula_reduced": "Na2CO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.2779306875,
"spacegroup": 8
},
{
"id": "jvasp-33182",
"created_at": "2022-09-04T14:38:10.787709Z",
"updated_at": "2022-09-04T14:38:10.787733Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256743 -0.000251 1.001800\n1.174942 8.644123 4.554686\n0.030786 0.049527 9.411794\nPb Se Br\n4 1 6\ndirect\n-0.008620 0.008964 0.005333 Pb\n0.230513 0.547126 0.988879 Pb\n0.500421 0.530607 0.465712 Pb\n0.738583 0.019597 0.500097 Pb\n0.027093 0.690449 0.252465 Se\n0.363555 0.090385 0.179614 Br\n0.636301 0.844047 0.880365 Br\n0.107772 0.183822 0.597559 Br\n0.875114 0.423724 0.823059 Br\n0.313817 0.770854 0.598406 Br\n0.694063 0.372107 0.236807 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 6.673855749369482,
"density_atomic": 0.03187031325576143,
"volume": 345.14878820688875,
"volume_molar": 18.8957689611392,
"formula_full": "Pb4 Se1 Br6",
"formula_reduced": "Pb4SeBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.1276228433333333,
"spacegroup": 8
},
{
"id": "jvasp-10739",
"created_at": "2022-09-04T14:38:11.837691Z",
"updated_at": "2022-09-04T14:38:11.837717Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n3.447865 -0.000243 -0.000163\n-1.723441 6.691006 -0.284412\n-1.723477 -1.884552 9.180529\nMg Bi O\n1 4 8\ndirect\n0.497591 0.201995 0.793044 Mg\n0.263186 0.641533 0.884719 Bi\n0.327790 0.207292 0.448161 Bi\n0.678699 0.797458 0.559805 Bi\n0.801214 0.428691 0.173612 Bi\n0.422824 0.526109 0.319421 O\n0.329865 0.885126 0.774469 O\n0.727235 0.165443 0.288887 O\n0.620090 0.497527 0.742518 O\n0.883181 0.731463 0.034797 O\n0.886229 0.133221 0.639109 O\n0.139021 0.340031 0.937876 O\n0.151195 0.874766 0.427478 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.816520222144287,
"density_atomic": 0.061923184209889376,
"volume": 209.93752446476822,
"volume_molar": 9.725179408713677,
"formula_full": "Mg1 Bi4 O8",
"formula_reduced": "Mg(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.976349557692308,
"spacegroup": 8
},
{
"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,
"nelements": 4,
"elements": [
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"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Mn-O",
"density": 5.049212203018993,
"density_atomic": 0.10275534981142555,
"volume": 233.5644814994479,
"volume_molar": 5.860659100525379,
"formula_full": "Mn2 Fe3 Co3 O16",
"formula_reduced": "Mn2Fe3Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.51561623678161,
"spacegroup": 8
}
]
}