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"results": [
{
"id": "jvasp-45184",
"created_at": "2022-09-04T14:38:04.006021Z",
"updated_at": "2022-09-04T14:38:04.006042Z",
"structure_string": "Li4 Cr6 O12\n1.0\n5.036489 -0.027511 -0.000000\n2.481688 4.312993 0.000000\n-0.000000 -0.000000 9.942040\nLi Cr O\n4 6 12\ndirect\n0.500000 0.147030 0.750000 Li\n0.500000 0.352970 0.250000 Li\n0.500001 0.647029 0.750000 Li\n0.500001 0.852970 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.323866 0.338068 0.000000 Cr\n0.323866 0.838067 0.500000 Cr\n0.676135 0.161932 0.500000 Cr\n0.676135 0.661932 0.000000 Cr\n0.660880 0.330247 0.893291 O\n0.660880 0.008873 0.106709 O\n0.339120 0.669752 0.106709 O\n0.339120 0.491127 0.606709 O\n0.339120 0.169753 0.393291 O\n0.000000 0.171684 0.601666 O\n0.339121 0.991127 0.893291 O\n0.000000 0.671684 0.898334 O\n0.000000 0.328315 0.101666 O\n0.660881 0.508872 0.393291 O\n0.000001 0.828315 0.398334 O\n0.660881 0.830247 0.606709 O\n",
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},
{
"id": "jvasp-47038",
"created_at": "2022-09-04T14:38:03.726967Z",
"updated_at": "2022-09-04T14:38:03.726987Z",
"structure_string": "Li2 Cr3 Cu1 O8\n1.0\n5.823820 0.028895 0.020431\n2.936932 5.029129 0.020432\n2.936932 1.695639 4.734698\nLi Cr Cu O\n2 3 1 8\ndirect\n0.121262 0.121262 0.121262 Li\n0.499537 0.499537 0.499537 Li\n0.007118 0.497530 0.497530 Cr\n0.497530 0.007118 0.497530 Cr\n0.497530 0.497530 0.007119 Cr\n0.878199 0.878199 0.878200 Cu\n0.258799 0.258799 0.258799 O\n0.250073 0.250073 0.711585 O\n0.250073 0.711585 0.250073 O\n0.711585 0.250073 0.250073 O\n0.291512 0.748541 0.748541 O\n0.748541 0.291512 0.748541 O\n0.748541 0.748541 0.291512 O\n0.739696 0.739696 0.739696 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.10154383542046959,
"volume": 137.8714910858865,
"volume_molar": 5.9305823293592415,
"formula_full": "Li2 Cr3 Cu1 O8",
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{
"id": "jvasp-87944",
"created_at": "2022-09-04T14:36:20.018611Z",
"updated_at": "2022-09-04T14:36:20.018629Z",
"structure_string": "Ca2 Mg1 P2 H4 O10\n1.0\n5.415653 -0.008383 -0.693504\n-2.072962 5.079739 -1.721537\n0.003400 -0.017527 6.812464\nCa Mg P H O\n2 1 2 4 10\ndirect\n0.652189 0.299831 0.761797 Ca\n0.347810 0.700169 0.238202 Ca\n0.000000 0.000000 0.000000 Mg\n0.666204 0.335005 0.245041 P\n0.333796 0.664995 0.754958 P\n0.851128 0.872478 0.601118 H\n0.919151 0.830267 0.316583 H\n0.080849 0.169734 0.683416 H\n0.148872 0.127522 0.398881 H\n0.594045 0.746828 0.930092 O\n0.897593 0.336032 0.130300 O\n0.102407 0.663968 0.869700 O\n0.930311 0.048546 0.722173 O\n0.363317 0.840333 0.622254 O\n0.720302 0.624895 0.385743 O\n0.279698 0.375105 0.614256 O\n0.069689 0.951454 0.277826 O\n0.405955 0.253173 0.069908 O\n0.636683 0.159667 0.377746 O\n",
"nsites": 19,
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"elements": [
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],
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"density_atomic": 0.10154094906381136,
"volume": 187.11662807149688,
"volume_molar": 5.93075090938485,
"formula_full": "Ca2 Mg1 P2 H4 O10",
"formula_reduced": "Ca2MgP2(H2O5)2",
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{
"id": "jvasp-44442",
"created_at": "2022-09-04T14:38:05.947193Z",
"updated_at": "2022-09-04T14:38:05.947221Z",
"structure_string": "Li6 Al4 Fe2 O12\n1.0\n5.308021 0.000691 0.024174\n-0.022888 5.783076 0.002908\n-1.120111 -0.106198 7.695421\nLi Al Fe O\n6 4 2 12\ndirect\n0.177718 0.842532 0.094142 Li\n0.346782 0.663161 0.419826 Li\n0.502309 0.833268 0.744375 Li\n0.497691 0.166732 0.255625 Li\n0.653218 0.336839 0.580174 Li\n0.822281 0.157468 0.905858 Li\n0.176089 0.167651 0.588161 Al\n0.657533 0.672544 0.078323 Al\n0.342467 0.327456 0.921677 Al\n0.823910 0.832350 0.411839 Al\n0.007644 0.330065 0.246406 Fe\n0.992355 0.669935 0.753594 Fe\n0.827542 0.816258 0.924841 O\n0.976011 0.666595 0.251333 O\n0.172458 0.183742 0.075159 O\n0.145547 0.850599 0.578904 O\n0.311700 0.323745 0.424702 O\n0.529851 0.829600 0.247068 O\n0.343228 0.644698 0.921861 O\n0.656771 0.355302 0.078139 O\n0.470148 0.170400 0.752932 O\n0.688299 0.676256 0.575298 O\n0.854453 0.149401 0.421096 O\n0.023988 0.333405 0.748667 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.1015304217343314,
"volume": 236.3823530921537,
"volume_molar": 5.931365847920712,
"formula_full": "Li6 Al4 Fe2 O12",
"formula_reduced": "Li3Al2FeO6",
"formula_anonymous": "AB2C3D6",
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},
{
"id": "jvasp-99626",
"created_at": "2022-09-04T14:36:33.079181Z",
"updated_at": "2022-09-04T14:36:33.079211Z",
"structure_string": "Fe4 O6\n1.0\n4.978267 -0.000014 0.000011\n-2.489156 3.638658 -2.312496\n0.000009 0.035642 5.415095\nFe O\n4 6\ndirect\n0.644511 0.289012 0.933529 Fe\n0.355490 0.710990 0.066471 Fe\n0.855509 0.711008 0.566501 Fe\n0.144491 0.288993 0.433500 Fe\n0.440413 0.190407 0.250010 O\n0.559588 0.809594 0.749989 O\n0.749994 0.809586 0.249988 O\n0.250007 0.190414 0.750013 O\n0.059606 0.500009 0.250001 O\n0.940394 0.499992 0.749999 O\n",
"nsites": 10,
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"elements": [
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"density": 5.384115328259446,
"density_atomic": 0.10152253073820418,
"volume": 98.50030261545555,
"volume_molar": 5.931826872528696,
"formula_full": "Fe4 O6",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7123283,
"spacegroup": 167
},
{
"id": "jvasp-78521",
"created_at": "2022-09-04T14:37:12.208805Z",
"updated_at": "2022-09-04T14:37:12.208821Z",
"structure_string": "Os1 N2\n1.0\n-1.380199 -2.901354 0.000000\n-1.380199 2.901354 0.000000\n0.000000 0.000000 -3.689743\nOs N\n1 2\ndirect\n0.313703 0.686298 0.500000 Os\n0.009800 0.990201 0.184681 N\n0.009800 0.990201 0.815318 N\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-43661",
"created_at": "2022-09-04T14:36:58.357681Z",
"updated_at": "2022-09-04T14:36:58.357700Z",
"structure_string": "Li4 Mn3 Co3 Sn2 O16\n1.0\n5.764210 -0.025613 0.025828\n-2.849158 5.010921 0.020642\n-0.041841 -0.065057 9.572744\nLi Mn Co Sn O\n4 3 3 2 16\ndirect\n0.332942 0.667036 0.101723 Li\n0.998224 0.001831 0.003954 Li\n0.998403 0.001623 0.506023 Li\n0.666409 0.333621 0.607494 Li\n0.169438 0.830616 0.784886 Mn\n0.830956 0.661449 0.284559 Mn\n0.338525 0.169013 0.284549 Mn\n0.168577 0.338957 0.785041 Co\n0.829962 0.170023 0.284629 Co\n0.661108 0.831480 0.785043 Co\n0.336452 0.663569 0.509718 Sn\n0.668600 0.331438 0.004713 Sn\n0.844778 0.155288 0.897091 O\n0.845311 0.687110 0.896904 O\n0.665632 0.334351 0.390014 O\n0.513145 0.031506 0.167273 O\n0.968483 0.486840 0.167278 O\n0.158761 0.841226 0.397228 O\n0.029699 0.515922 0.667798 O\n0.484432 0.515629 0.670590 O\n0.159404 0.312234 0.396693 O\n-0.000969 0.000922 0.190232 O\n0.000068 0.000002 0.691483 O\n0.332466 0.667604 0.888864 O\n0.514640 0.485317 0.166978 O\n0.687775 0.840594 0.396698 O\n0.484138 0.970343 0.667802 O\n0.312935 0.154752 0.896900 O\n",
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"volume": 275.8185365281613,
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"formula_full": "Li4 Mn3 Co3 Sn2 O16",
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{
"id": "jvasp-63714",
"created_at": "2022-09-04T14:35:45.343228Z",
"updated_at": "2022-09-04T14:35:45.343255Z",
"structure_string": "Tb4 Cr4 B16\n1.0\n3.477538 0.000000 0.000000\n0.000000 5.930783 0.000000\n0.000000 0.000000 11.463000\nTb Cr B\n4 4 16\ndirect\n0.000000 0.123809 0.849234 Tb\n0.000000 0.876190 0.150766 Tb\n0.000000 0.376191 0.349234 Tb\n0.000000 0.623809 0.650766 Tb\n0.000000 0.121140 0.578919 Cr\n0.000000 0.878859 0.421081 Cr\n0.000000 0.378860 0.078919 Cr\n0.000000 0.621140 0.921081 Cr\n0.500000 0.525298 0.191214 B\n0.500000 0.474701 0.808786 B\n0.500000 0.886993 0.546612 B\n0.500000 0.113007 0.453388 B\n0.500000 0.613007 0.046612 B\n0.500000 0.386993 0.953388 B\n0.500000 0.862020 0.967434 B\n0.500000 0.779398 0.816324 B\n0.500000 0.637979 0.467434 B\n0.500000 0.362020 0.532566 B\n0.500000 0.025299 0.308786 B\n0.500000 0.220602 0.183676 B\n0.500000 0.720602 0.316324 B\n0.500000 0.279398 0.683676 B\n0.500000 0.137980 0.032566 B\n0.500000 0.974701 0.691214 B\n",
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{
"id": "jvasp-36247",
"created_at": "2022-09-04T14:37:27.880498Z",
"updated_at": "2022-09-04T14:37:27.880516Z",
"structure_string": "Os1 N2\n1.0\n2.759551 0.000000 0.000000\n-1.379776 2.902572 0.000000\n0.000000 0.000000 3.689564\nOs N\n1 2\ndirect\n0.686345 0.372690 0.499999 Os\n0.990175 0.980354 0.815293 N\n0.990175 0.980354 0.184706 N\n",
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{
"id": "jvasp-110301",
"created_at": "2022-09-04T14:37:57.581858Z",
"updated_at": "2022-09-04T14:37:57.581873Z",
"structure_string": "Mg1 Ti1 N2\n1.0\n2.893120 -0.000191 4.426386\n1.318115 2.575406 4.426386\n-0.000313 -0.000191 5.288009\nMg Ti N\n1 1 2\ndirect\n-0.000001 0.666668 0.333334 Mg\n0.500000 0.166668 0.833333 Ti\n0.756446 0.423114 0.089781 N\n0.243551 0.910222 0.576888 N\n",
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{
"id": "jvasp-59273",
"created_at": "2022-09-04T14:38:12.371337Z",
"updated_at": "2022-09-04T14:38:12.371357Z",
"structure_string": "Zn3 Ga1 B6 P1 O12\n1.0\n6.628302 0.000000 0.000000\n-2.209435 6.282905 0.000000\n-2.209435 -3.141453 5.441155\nZn Ga B P O\n3 1 6 1 12\ndirect\n0.000049 0.000001 0.665286 Zn\n0.000048 0.665285 -0.000000 Zn\n0.334764 0.334714 0.334715 Zn\n0.654529 -0.000000 -0.000000 Ga\n0.750351 0.247878 0.501676 B\n0.248676 0.746202 0.498325 B\n0.502473 0.752122 0.253798 B\n0.248676 0.498325 0.746203 B\n0.502474 0.253798 0.752123 B\n0.750351 0.501675 0.247878 B\n0.993740 -0.000000 -0.000000 P\n-0.000024 0.431474 0.713165 O\n0.720456 0.427072 -0.000000 O\n0.706950 0.275920 0.275920 O\n0.568501 0.568526 0.281691 O\n0.568501 0.281691 0.568526 O\n0.431030 0.724080 -0.000000 O\n0.286810 0.718309 0.286835 O\n0.293384 0.572928 0.572928 O\n0.431030 0.000001 0.724081 O\n-0.000025 0.713165 0.431474 O\n0.720457 0.000000 0.427073 O\n0.286811 0.286836 0.718310 O\n",
"nsites": 23,
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],
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"density": 4.058209800188687,
"density_atomic": 0.10150184995392607,
"volume": 226.5968552340692,
"volume_molar": 5.9330354695343805,
"formula_full": "Zn3 Ga1 B6 P1 O12",
"formula_reduced": "Zn3GaB6PO12",
"formula_anonymous": "ABC3D6E12",
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},
{
"id": "jvasp-1555",
"created_at": "2022-09-04T14:36:56.755850Z",
"updated_at": "2022-09-04T14:36:56.755886Z",
"structure_string": "Li1 Zn1 N1\n1.0\n3.005578 0.000000 1.735272\n1.001859 2.833687 1.735272\n-0.000000 -0.000000 3.470542\nLi Zn N\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Li\n0.750000 0.750001 0.749998 Zn\n0.000000 0.000000 0.000000 N\n",
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}
]
}