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"results": [
{
"id": "jvasp-11033",
"created_at": "2022-09-04T14:37:11.672188Z",
"updated_at": "2022-09-04T14:37:11.672210Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n2.841641 0.000154 0.000314\n1.420298 7.442154 0.070705\n1.419721 2.007779 7.724382\nMg Mn O\n2 4 8\ndirect\n0.309476 0.216927 0.164024 Mg\n0.685807 0.815297 0.813021 Mg\n0.608828 0.618563 0.163661 Mn\n0.145240 0.203842 0.505545 Mn\n0.849987 0.828392 0.471502 Mn\n0.386427 0.413667 0.813385 Mn\n0.852767 0.578274 0.716062 O\n0.442061 0.782294 0.333460 O\n0.553175 0.249948 0.643584 O\n0.142486 0.453956 0.260984 O\n0.125262 0.748771 0.000621 O\n0.757962 0.130644 0.353313 O\n0.870002 0.283454 0.976425 O\n0.237293 0.901587 0.623736 O\n",
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{
"id": "jvasp-10485",
"created_at": "2022-09-04T14:37:10.612164Z",
"updated_at": "2022-09-04T14:37:10.612183Z",
"structure_string": "Rb4 Sn2 Se6\n1.0\n7.129781 -0.049723 -0.046821\n3.130909 7.198435 0.055557\n2.744018 1.388785 8.406781\nRb Sn Se\n4 2 6\ndirect\n0.640348 0.467196 0.686653 Rb\n0.359652 0.532804 0.313348 Rb\n0.905159 0.797762 0.877980 Rb\n0.094841 0.202238 0.122020 Rb\n0.643753 0.937392 0.308522 Sn\n0.356246 0.062609 0.691478 Sn\n0.268233 0.946672 0.475723 Se\n0.731766 0.053328 0.524278 Se\n0.374573 0.808818 0.932411 Se\n0.625427 0.191182 0.067589 Se\n0.149438 0.398130 0.717553 Se\n0.850562 0.601870 0.282448 Se\n",
"nsites": 12,
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"density_atomic": 0.02771773779458387,
"volume": 432.9357644167063,
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"formula_full": "Rb4 Sn2 Se6",
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{
"id": "jvasp-46429",
"created_at": "2022-09-04T14:38:19.055538Z",
"updated_at": "2022-09-04T14:38:19.055564Z",
"structure_string": "Li4 Al1 Cr3 O8\n1.0\n5.037104 -0.000191 -0.000117\n-0.839038 4.971559 -0.008056\n-0.000955 -1.692526 5.563966\nLi Al Cr O\n4 1 3 8\ndirect\n0.750854 0.000304 0.875968 Li\n0.252670 0.998179 0.625589 Li\n0.747328 0.001821 0.374410 Li\n0.249144 0.999695 0.124031 Li\n0.499999 0.500000 -0.000001 Al\n0.999870 0.499267 0.751679 Cr\n0.499999 0.500000 0.500000 Cr\n0.000128 0.500732 0.248320 Cr\n0.624195 0.277044 0.702122 O\n0.375036 0.721039 0.813285 O\n0.128161 0.273579 0.443027 O\n0.871837 0.726421 0.556972 O\n0.624962 0.278961 0.186714 O\n0.375803 0.722955 0.297878 O\n0.140682 0.277090 0.944646 O\n0.859316 0.722910 0.055354 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
"chemical_system": "Al-Cr-Li-O",
"density": 4.038880189527448,
"density_atomic": 0.11488925837852358,
"volume": 139.2645424456052,
"volume_molar": 5.2416917342776825,
"formula_full": "Li4 Al1 Cr3 O8",
"formula_reduced": "Li4AlCr3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.8216976875000004,
"spacegroup": 2
},
{
"id": "jvasp-88251",
"created_at": "2022-09-04T14:35:51.953603Z",
"updated_at": "2022-09-04T14:35:51.953627Z",
"structure_string": "Na2 In2 Si4 O12\n1.0\n5.297468 0.001745 1.183362\n1.395214 6.626424 0.567119\n0.006102 0.018243 6.795394\nNa In Si O\n2 2 4 12\ndirect\n0.250000 0.698178 0.301821 Na\n0.750000 0.301820 0.698178 Na\n0.250000 0.105017 0.894982 In\n0.750000 0.894981 0.105017 In\n0.749986 0.794638 0.621017 Si\n0.750014 0.378982 0.205361 Si\n0.249986 0.621016 0.794639 Si\n0.250013 0.205361 0.378983 Si\n0.519509 0.663256 0.637692 O\n0.154047 0.799041 0.961433 O\n0.323789 0.396300 0.889526 O\n0.345953 0.038566 0.200958 O\n0.176210 0.110473 0.603698 O\n0.654047 0.961432 0.799041 O\n0.845953 0.200958 0.038567 O\n0.019509 0.637692 0.663256 O\n0.480491 0.336743 0.362307 O\n0.980491 0.362306 0.336743 O\n0.676211 0.603698 0.110474 O\n0.823789 0.889525 0.396301 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "In-Na-O-Si",
"density": 4.038684241892553,
"density_atomic": 0.08387450918182235,
"volume": 238.45146988156074,
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"formula_full": "Na2 In2 Si4 O12",
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"spacegroup": 15
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{
"id": "jvasp-64718",
"created_at": "2022-09-04T14:35:44.110672Z",
"updated_at": "2022-09-04T14:35:44.110685Z",
"structure_string": "Ba4 Y1 Be1\n1.0\n0.000000 5.105243 5.105243\n5.105243 0.000000 5.105243\n5.105243 5.105243 -0.000000\nBa Y Be\n4 1 1\ndirect\n0.126992 0.624335 0.624335 Ba\n0.624335 0.624335 0.624335 Ba\n0.624335 0.126992 0.624335 Ba\n0.624335 0.624335 0.126992 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Be\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.0385533364718,
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"volume": 266.12106403314954,
"volume_molar": 26.710308446809996,
"formula_full": "Ba4 Y1 Be1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-91612",
"created_at": "2022-09-04T14:35:56.730007Z",
"updated_at": "2022-09-04T14:35:56.730035Z",
"structure_string": "Cu4 O4\n1.0\n0.914579 3.032318 -1.001932\n0.089251 0.295915 6.484047\n6.465847 -0.296086 -0.500966\nCu O\n4 4\ndirect\n0.915390 0.830778 0.500000 Cu\n0.584611 0.169223 0.500000 Cu\n0.915390 0.500001 0.169222 Cu\n0.584611 0.500000 0.830778 Cu\n0.750012 0.771224 0.771205 O\n0.021214 0.771224 0.228795 O\n0.478783 0.228776 0.771206 O\n0.749994 0.228776 0.228795 O\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Cu-O",
"density": 4.038505065845672,
"density_atomic": 0.06114859181021235,
"volume": 130.82885088882668,
"volume_molar": 9.848371944019567,
"formula_full": "Cu4 O4",
"formula_reduced": "CuO",
"formula_anonymous": "AB",
"energy_above_hull": 0.70088965625,
"spacegroup": 139
},
{
"id": "jvasp-118998",
"created_at": "2022-09-04T14:38:49.775448Z",
"updated_at": "2022-09-04T14:38:49.775472Z",
"structure_string": "Na4 Bi2 B2 As2 O14\n1.0\n7.175540 -0.000000 0.000000\n0.000000 5.425245 0.007167\n-0.000000 -0.169706 9.562704\nNa Bi B As O\n4 2 2 2 14\ndirect\n0.499036 0.266262 0.793079 Na\n0.000964 0.266262 0.793079 Na\n0.500964 0.733738 0.206920 Na\n-0.000964 0.733738 0.206920 Na\n0.750000 0.805280 0.629827 Bi\n0.250000 0.194720 0.370172 Bi\n0.750000 0.772740 0.912260 B\n0.250000 0.227260 0.087740 B\n0.250000 0.730687 0.603092 As\n0.750000 0.269313 0.396908 As\n0.250000 0.442639 0.168968 O\n0.939757 0.120976 0.324896 O\n0.560243 0.120976 0.324896 O\n0.250000 0.778267 0.421869 O\n0.750000 0.579667 0.371325 O\n0.250000 0.420333 0.628675 O\n0.750000 0.992478 0.842632 O\n0.439757 0.879024 0.675104 O\n0.060243 0.879024 0.675104 O\n0.750000 0.557361 0.831032 O\n0.250000 0.007522 0.157368 O\n0.250000 0.256437 0.947321 O\n0.750000 0.221733 0.578131 O\n0.750000 0.743563 0.052679 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.06446832728545453,
"volume": 372.27582924142234,
"volume_molar": 9.341239355156539,
"formula_full": "Na4 Bi2 B2 As2 O14",
"formula_reduced": "Na2BiBAsO7",
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"spacegroup": 11
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{
"id": "jvasp-44722",
"created_at": "2022-09-04T14:38:10.277432Z",
"updated_at": "2022-09-04T14:38:10.277455Z",
"structure_string": "Li3 Cr3 Si1 O8\n1.0\n0.000000 4.945246 0.010992\n5.765481 0.000000 0.000000\n0.000000 -1.583690 -4.804501\nLi Cr Si O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.764035 0.000000 Li\n0.500000 0.235965 0.000000 Li\n-0.000000 0.751861 0.500000 Cr\n-0.000000 0.248139 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Si\n0.732825 0.000000 0.294713 O\n0.719215 0.765686 0.711396 O\n0.765704 0.500000 0.270768 O\n0.280786 0.765686 0.288604 O\n0.719215 0.234314 0.711396 O\n0.267176 0.000000 0.705287 O\n0.234297 0.500000 0.729233 O\n0.280786 0.234314 0.288604 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Cr-Li-O-Si",
"density": 4.038304240237607,
"density_atomic": 0.10958165069220617,
"volume": 136.88423112124968,
"volume_molar": 5.495574050910255,
"formula_full": "Li3 Cr3 Si1 O8",
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"formula_anonymous": "AB3C3D8",
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"spacegroup": 10
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{
"id": "jvasp-36476",
"created_at": "2022-09-04T14:37:30.817419Z",
"updated_at": "2022-09-04T14:37:30.817449Z",
"structure_string": "Ba3 As2\n1.0\n6.136082 0.000000 0.000000\n0.000000 6.136082 -0.000000\n0.000000 -0.000000 6.136082\nBa As\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
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"volume": 231.03270560179195,
"volume_molar": 27.826229465952633,
"formula_full": "Ba3 As2",
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"spacegroup": 221
},
{
"id": "jvasp-8252",
"created_at": "2022-09-04T14:37:01.504693Z",
"updated_at": "2022-09-04T14:37:01.504720Z",
"structure_string": "Zn1 Cr1 F6\n1.0\n5.330498 0.060956 0.042027\n2.992543 4.411644 0.042026\n2.992543 1.608120 4.108323\nZn Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 Cr\n0.124906 0.403946 0.733697 F\n0.403945 0.733696 0.124907 F\n0.733696 0.124907 0.403946 F\n0.266302 0.875093 0.596055 F\n0.596053 0.266303 0.875094 F\n0.875093 0.596054 0.266304 F\n",
"nsites": 8,
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"volume": 95.15779983487427,
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"formula_full": "Zn1 Cr1 F6",
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},
{
"id": "jvasp-25918",
"created_at": "2022-09-04T14:38:16.921535Z",
"updated_at": "2022-09-04T14:38:16.921556Z",
"structure_string": "K4 Zr4 Sn4 F28\n1.0\n5.958326 0.000000 -0.000000\n0.000000 8.432195 0.000000\n-0.000000 0.000000 12.508035\nK Zr Sn F\n4 4 4 28\ndirect\n0.786667 0.750000 0.750000 K\n0.786667 0.250000 0.750000 K\n0.213334 0.250000 0.250000 K\n0.213334 0.750000 0.250000 K\n0.749747 0.000000 0.085998 Zr\n0.250253 0.000000 0.914002 Zr\n0.250253 0.500000 0.585999 Zr\n0.749747 0.500000 0.414002 Zr\n0.757294 0.500000 0.092101 Sn\n0.242707 0.500000 0.907899 Sn\n0.757294 0.000000 0.407899 Sn\n0.242707 0.000000 0.592101 Sn\n0.874890 0.000000 0.584195 F\n0.497720 0.500000 0.304096 F\n0.844934 0.733845 0.390225 F\n0.874890 0.500000 0.915805 F\n0.906982 0.000000 0.240565 F\n0.500000 0.644427 0.500000 F\n0.093018 0.500000 0.740565 F\n0.502281 0.500000 0.695905 F\n0.128247 0.500000 0.427959 F\n0.500000 0.855572 0.000000 F\n0.497720 0.000000 0.195904 F\n0.125111 0.500000 0.084195 F\n0.871753 0.500000 0.572042 F\n0.500000 0.355572 0.500000 F\n0.500000 0.144427 0.000000 F\n0.155067 0.766154 0.890225 F\n0.844934 0.766154 0.109775 F\n0.155067 0.733845 0.609775 F\n0.155067 0.233845 0.890225 F\n0.093018 0.000000 0.759436 F\n0.906982 0.500000 0.259435 F\n0.125111 0.000000 0.415805 F\n0.128247 0.000000 0.072041 F\n0.844934 0.233845 0.109775 F\n0.844934 0.266155 0.390225 F\n0.502281 0.000000 0.804096 F\n0.871753 0.000000 0.927959 F\n0.155067 0.266155 0.609775 F\n",
"nsites": 40,
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],
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"density_atomic": 0.06365111283019391,
"volume": 628.4257764151041,
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"formula_full": "K4 Zr4 Sn4 F28",
"formula_reduced": "KZrSnF7",
"formula_anonymous": "ABCD7",
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"spacegroup": 53
},
{
"id": "jvasp-34997",
"created_at": "2022-09-04T14:37:29.168374Z",
"updated_at": "2022-09-04T14:37:29.168405Z",
"structure_string": "Mg4 Sn2\n1.0\n2.523109 -4.370152 0.000000\n2.523109 4.370152 -0.000000\n0.000000 -0.000000 6.240621\nMg Sn\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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],
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"formula_full": "Mg4 Sn2",
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}
]
}